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[N@H+](CC2CCCC2)CC[C@@H]1C[NH3+] ZINC000133086706 710968356 /nfs/dbraw/zinc/96/83/56/710968356.db2.gz PZPJIZOQRIANKW-DGCLKSJQSA-N 2 0 210.365 2.093 10 0 BEAERP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000133084249 711558888 /nfs/dbraw/zinc/55/88/88/711558888.db2.gz MNOXUMAHZZXGNV-NWDGAFQWSA-N 2 0 212.381 2.339 10 0 BEAERP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000712630218 712439298 /nfs/dbraw/zinc/43/92/98/712439298.db2.gz MLDCSOGXJVKKTQ-NGFQHRJXSA-N 2 0 236.403 2.400 10 0 BEAERP C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000712735169 712448692 /nfs/dbraw/zinc/44/86/92/712448692.db2.gz SHNAWWWJBBZMKS-MCIONIFRSA-N 2 0 222.376 2.154 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC000714753333 712497439 /nfs/dbraw/zinc/49/74/39/712497439.db2.gz KDWXXBGMQTYUOP-RYUDHWBXSA-N 2 0 210.365 2.378 10 0 BEAERP CC[C@H]([C@H]1CCOC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754531 712497681 /nfs/dbraw/zinc/49/76/81/712497681.db2.gz VWCFNDRUHWBHRL-QWHCGFSZSA-N 2 0 240.391 2.005 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@H](OC)C2)CC1 ZINC000714760200 712498278 /nfs/dbraw/zinc/49/82/78/712498278.db2.gz WHBYFRDSNTYHID-STQMWFEESA-N 2 0 240.391 2.147 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]12 ZINC000714847566 712502054 /nfs/dbraw/zinc/50/20/54/712502054.db2.gz CXNHTQZAIQPZMN-UXXRCYHCSA-N 2 0 234.387 2.092 10 0 BEAERP C(C[C@@H]1CCCS1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000715758329 712531781 /nfs/dbraw/zinc/53/17/81/712531781.db2.gz WWPXEOPTPSVEMD-NEPJUHHUSA-N 2 0 228.405 2.004 10 0 BEAERP [NH3+]C1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000715753955 712531979 /nfs/dbraw/zinc/53/19/79/712531979.db2.gz LQGQNEAGUZRTMZ-MCIGGMRASA-N 2 0 228.405 2.132 10 0 BEAERP C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000716551969 712563281 /nfs/dbraw/zinc/56/32/81/712563281.db2.gz NTGUKYXNEUJHQF-ZAQNNHEOSA-N 2 0 236.403 2.256 10 0 BEAERP C[C@H]([NH2+]C1CCC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000718041227 712737925 /nfs/dbraw/zinc/73/79/25/712737925.db2.gz ZFCDTQJSFYCFCS-QWHCGFSZSA-N 2 0 222.376 2.463 10 0 BEAERP C[N@@H+]1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123592219 961365255 /nfs/dbraw/zinc/36/52/55/961365255.db2.gz KDWUBBSIAJCQIP-JTQLQIEISA-N 2 0 238.297 2.260 10 0 BEAERP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1 ZINC000049502227 1171703129 /nfs/dbraw/zinc/70/31/29/1171703129.db2.gz IIXCWAGIFABRNM-GFCCVEGCSA-N 2 0 219.332 2.368 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCC(C)CC2 ZINC000685954157 538899423 /nfs/dbraw/zinc/89/94/23/538899423.db2.gz LNZDWRJOCUOREM-CPCZMJQVSA-N 2 0 210.365 2.377 10 0 BEAERP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000049686696 178024214 /nfs/dbraw/zinc/02/42/14/178024214.db2.gz XIDDBEJZAZIJHQ-GFCCVEGCSA-N 2 0 238.400 2.406 10 0 BEAERP Cc1[nH+]ccc(N[C@@H](C)C[C@@H](C)[NH3+])c1Cl ZINC000379810878 398169731 /nfs/dbraw/zinc/16/97/31/398169731.db2.gz AEPHLPSTBXDPLD-SFYZADRCSA-N 2 0 227.739 2.003 10 0 BEAERP CCC(CC)[N@H+](CCOC)CC[C@H]1CCC[NH2+]1 ZINC000042681746 168373712 /nfs/dbraw/zinc/37/37/12/168373712.db2.gz WYHAQCOTBIFSJF-CYBMUJFWSA-N 2 0 242.407 2.266 10 0 BEAERP CCC(CC)[C@@H](C[NH3+])N(C)Cc1cccnc1 ZINC000036770878 168399789 /nfs/dbraw/zinc/39/97/89/168399789.db2.gz XGVRPPZWCVPQMK-CQSZACIVSA-N 2 0 235.375 2.277 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211941822 343017177 /nfs/dbraw/zinc/01/71/77/343017177.db2.gz VXNXCXPREGVHLD-GFCCVEGCSA-N 2 0 230.355 2.174 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943736 343017326 /nfs/dbraw/zinc/01/73/26/343017326.db2.gz SKFLXHAZRNMENM-LBPRGKRZSA-N 2 0 230.355 2.317 10 0 BEAERP CCN1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000038098039 343063562 /nfs/dbraw/zinc/06/35/62/343063562.db2.gz AKNPVAMWWKDNGJ-LLVKDONJSA-N 2 0 210.365 2.249 10 0 BEAERP CC[NH+](CC)[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000584881476 343082375 /nfs/dbraw/zinc/08/23/75/343082375.db2.gz JCGFRKQGIOOYFC-YNEHKIRRSA-N 2 0 210.365 2.249 10 0 BEAERP [NH3+][C@H]1CCC[C@@H](C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000035567101 343297954 /nfs/dbraw/zinc/29/79/54/343297954.db2.gz ZZYZUFNSKAIYCJ-CYDGBPFRSA-N 2 0 210.365 2.412 10 0 BEAERP CSc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713437 187253448 /nfs/dbraw/zinc/25/34/48/187253448.db2.gz VNHJZXURNGGIFM-SNVBAGLBSA-N 2 0 224.373 2.408 10 0 BEAERP CCC1(C)CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000062958142 168446209 /nfs/dbraw/zinc/44/62/09/168446209.db2.gz SYAPHYUQKBRAFW-CHWSQXEVSA-N 2 0 240.391 2.005 10 0 BEAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000052376052 187271704 /nfs/dbraw/zinc/27/17/04/187271704.db2.gz PDCDIDARNMGRGP-LBPRGKRZSA-N 2 0 218.344 2.390 10 0 BEAERP C[C@@H]1[C@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409431591 343824211 /nfs/dbraw/zinc/82/42/11/343824211.db2.gz RJPWPILRMFONAL-BPLDGKMQSA-N 2 0 230.355 2.069 10 0 BEAERP C[C@@H]1[C@@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409431594 343824252 /nfs/dbraw/zinc/82/42/52/343824252.db2.gz RJPWPILRMFONAL-SNPRPXQTSA-N 2 0 230.355 2.069 10 0 BEAERP CC(F)(F)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409433743 343830398 /nfs/dbraw/zinc/83/03/98/343830398.db2.gz ZCLVLDDEXOKHAG-SNVBAGLBSA-N 2 0 232.318 2.106 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858254 534958024 /nfs/dbraw/zinc/95/80/24/534958024.db2.gz RRNQJHWAOWCJDL-STQMWFEESA-N 2 0 212.381 2.352 10 0 BEAERP CC[C@H](OCCC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000219842651 344300141 /nfs/dbraw/zinc/30/01/41/344300141.db2.gz LLVQZOAPNWJUOB-OLZOCXBDSA-N 2 0 228.380 2.081 10 0 BEAERP CC[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1 ZINC000127762622 344644538 /nfs/dbraw/zinc/64/45/38/344644538.db2.gz CZYNVWVBJARFSY-CYBMUJFWSA-N 2 0 206.333 2.246 10 0 BEAERP C[C@H]([NH3+])c1ccc([C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000118274793 344792354 /nfs/dbraw/zinc/79/23/54/344792354.db2.gz KUHBBYPXWKYKKR-GXFFZTMASA-N 2 0 236.359 2.128 10 0 investigational BEAERP C[C@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC000224394135 344910253 /nfs/dbraw/zinc/91/02/53/344910253.db2.gz MAOQDTVHBUZJAM-MWLCHTKSSA-N 2 0 210.346 2.232 10 0 BEAERP C[C@H](c1ccc[nH]1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000248086863 345035842 /nfs/dbraw/zinc/03/58/42/345035842.db2.gz STGUCIUDWFWLNH-NEPJUHHUSA-N 2 0 221.348 2.007 10 0 BEAERP CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634999848 345201351 /nfs/dbraw/zinc/20/13/51/345201351.db2.gz AQURBSVDWVUSQA-JSGCOSHPSA-N 2 0 248.370 2.112 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC000634998035 345202551 /nfs/dbraw/zinc/20/25/51/345202551.db2.gz ZHZYUFMZEFIQQX-YNEHKIRRSA-N 2 0 222.376 2.297 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000635002689 345204572 /nfs/dbraw/zinc/20/45/72/345204572.db2.gz XFJBYENYBHAIIX-NTZNESFSSA-N 2 0 210.365 2.153 10 0 BEAERP CC[NH2+]CCN1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225387 345222285 /nfs/dbraw/zinc/22/22/85/345222285.db2.gz UFUBHSPJVRCYBR-STQMWFEESA-N 2 0 210.365 2.108 10 0 BEAERP CC(F)(F)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000390260826 259384080 /nfs/dbraw/zinc/38/40/80/259384080.db2.gz ZEFWZKRPNBGPHX-UHFFFAOYSA-N 2 0 220.307 2.281 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccccn1 ZINC000257352452 345773395 /nfs/dbraw/zinc/77/33/95/345773395.db2.gz LKAWIXXLVZSGCR-IJLUTSLNSA-N 2 0 219.332 2.002 10 0 BEAERP Cc1cccc(CC[C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000040500795 179061887 /nfs/dbraw/zinc/06/18/87/179061887.db2.gz HUMHBPLDMKJIEG-CYBMUJFWSA-N 2 0 220.360 2.255 10 0 BEAERP Cc1cccc(CC[C@H](C)[NH2+]CCC[NH3+])c1 ZINC000040500796 179062252 /nfs/dbraw/zinc/06/22/52/179062252.db2.gz HUMHBPLDMKJIEG-ZDUSSCGKSA-N 2 0 220.360 2.255 10 0 BEAERP C[N@@H+](Cc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803581 346392030 /nfs/dbraw/zinc/39/20/30/346392030.db2.gz HVZGKJDOAKYJOV-UONOGXRCSA-N 2 0 218.344 2.246 10 0 BEAERP Cc1cccc([C@@H](C)[NH3+])c1OCCC[NH+](C)C ZINC000041271948 179179204 /nfs/dbraw/zinc/17/92/04/179179204.db2.gz TUZCVSWXSVAHTE-GFCCVEGCSA-N 2 0 236.359 2.345 10 0 BEAERP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@H]1C[NH3+] ZINC000250223771 362796497 /nfs/dbraw/zinc/79/64/97/362796497.db2.gz IPJQFSDRLAVHDQ-GJZGRUSLSA-N 2 0 232.371 2.493 10 0 BEAERP CC[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250321182 362799520 /nfs/dbraw/zinc/79/95/20/362799520.db2.gz NELRLMCURWMTCL-KOLCDFICSA-N 2 0 210.346 2.090 10 0 BEAERP CC[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccs1 ZINC000250346048 362799566 /nfs/dbraw/zinc/79/95/66/362799566.db2.gz QLFKYTPQXNLPEE-ONGXEEELSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000380817254 347339644 /nfs/dbraw/zinc/33/96/44/347339644.db2.gz LMEIFBBFQPOTOP-YIYPIFLZSA-N 2 0 224.392 2.482 10 0 BEAERP Cc1ccccc1[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000022100908 179334351 /nfs/dbraw/zinc/33/43/51/179334351.db2.gz WJUIMHAJTSIFDX-ZDUSSCGKSA-N 2 0 218.344 2.351 10 0 BEAERP Cc1cccnc1C[N@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 ZINC000071345081 179377418 /nfs/dbraw/zinc/37/74/18/179377418.db2.gz KSHXTMXWOINATJ-JSGCOSHPSA-N 2 0 247.386 2.210 10 0 BEAERP CCSC1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000596651309 348606098 /nfs/dbraw/zinc/60/60/98/348606098.db2.gz MKMUZAZDTJPFLR-UHFFFAOYSA-N 2 0 228.405 2.132 10 0 BEAERP C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000068590139 191002509 /nfs/dbraw/zinc/00/25/09/191002509.db2.gz XORZBVQTSUNZOY-STQMWFEESA-N 2 0 204.317 2.028 10 0 BEAERP Cc1[nH]c2ccc(N[C@@H]3CCC[N@@H+](C)C3)cc2[nH+]1 ZINC000075184395 180095842 /nfs/dbraw/zinc/09/58/42/180095842.db2.gz STLXGWQEALCTGQ-GFCCVEGCSA-N 2 0 244.342 2.377 10 0 BEAERP CC1CC[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000108323287 538076292 /nfs/dbraw/zinc/07/62/92/538076292.db2.gz JZNNASHMJISQAR-QWHCGFSZSA-N 2 0 210.365 2.236 10 0 BEAERP C[N@H+](Cc1ccc(C[NH3+])o1)Cc1ccccc1 ZINC000052417454 350991887 /nfs/dbraw/zinc/99/18/87/350991887.db2.gz CSPSMFZXBLCINB-UHFFFAOYSA-N 2 0 230.311 2.370 10 0 BEAERP CCN(Cc1ccccc1)[C@@H](C)C[NH2+]C ZINC000052443695 351001535 /nfs/dbraw/zinc/00/15/35/351001535.db2.gz LDTFNYNPBSVZGH-LBPRGKRZSA-N 2 0 206.333 2.116 10 0 BEAERP c1ccc(CN2CC[C@H](NC3=[NH+]CCC3)C2)cc1 ZINC000307040734 351443604 /nfs/dbraw/zinc/44/36/04/351443604.db2.gz MUOCRPACUKCCJN-AWEZNQCLSA-N 2 0 243.354 2.043 10 0 BEAERP C[NH2+]C[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725269311 538101251 /nfs/dbraw/zinc/10/12/51/538101251.db2.gz PRYJMKBMPWIGJT-LBPRGKRZSA-N 2 0 228.339 2.177 10 0 BEAERP CC[C@H](C)C[NH2+][C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725272147 538103773 /nfs/dbraw/zinc/10/37/73/538103773.db2.gz MZGLISZHZVHNPD-AVGNSLFASA-N 2 0 210.365 2.297 10 0 BEAERP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000307520130 352633730 /nfs/dbraw/zinc/63/37/30/352633730.db2.gz PQQYOQSQTYORES-SMDDNHRTSA-N 2 0 231.343 2.236 10 0 BEAERP C1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2C[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000216497663 188008674 /nfs/dbraw/zinc/00/86/74/188008674.db2.gz FYSHNMXGDMHXBU-INMIOYRUSA-N 2 0 234.387 2.153 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223109913 353136480 /nfs/dbraw/zinc/13/64/80/353136480.db2.gz RGEJNWVOHDUDKB-KGLIPLIRSA-N 2 0 218.344 2.388 10 0 BEAERP C[N@H+](Cc1cccs1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223120564 353138157 /nfs/dbraw/zinc/13/81/57/353138157.db2.gz AMYKHTIYIGHFRH-ZJUUUORDSA-N 2 0 210.346 2.060 10 0 BEAERP C[N@H+](Cc1ccsc1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223120746 353138193 /nfs/dbraw/zinc/13/81/93/353138193.db2.gz PPDSNSFPEZEQIL-GHMZBOCLSA-N 2 0 210.346 2.060 10 0 BEAERP CCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713276 358476704 /nfs/dbraw/zinc/47/67/04/358476704.db2.gz ACGYDNOMESKALD-LLVKDONJSA-N 2 0 222.332 2.085 10 0 BEAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c1 ZINC000049256740 188298333 /nfs/dbraw/zinc/29/83/33/188298333.db2.gz ZHUDNGYJPMRLQG-CQSZACIVSA-N 2 0 232.371 2.345 10 0 BEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000073654114 188368122 /nfs/dbraw/zinc/36/81/22/188368122.db2.gz GZFFYQUFKQSBIG-CHWSQXEVSA-N 2 0 212.381 2.495 10 0 BEAERP CC(=[NH2+])N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000405968865 355461262 /nfs/dbraw/zinc/46/12/62/355461262.db2.gz SXJRTVFGBFCCCF-AWEZNQCLSA-N 2 0 231.343 2.238 10 0 BEAERP [NH2+]=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000062993327 181199579 /nfs/dbraw/zinc/19/95/79/181199579.db2.gz MAYMVDJYHZCYKB-QWHCGFSZSA-N 2 0 235.375 2.370 10 0 BEAERP [NH2+]=C1c2ccccc2CN1[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568789 181207656 /nfs/dbraw/zinc/20/76/56/181207656.db2.gz LBVVYPBMGIKTEE-ZIAGYGMSSA-N 2 0 241.338 2.064 10 0 BEAERP CC(C)[NH+]1CCC([C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059761 538485410 /nfs/dbraw/zinc/48/54/10/538485410.db2.gz LIRZKQKJGPKHJO-GXTWGEPZSA-N 2 0 224.392 2.352 10 0 BEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000086573166 538558265 /nfs/dbraw/zinc/55/82/65/538558265.db2.gz KQUGSOAGTOWYQT-YOGCLGLASA-N 2 0 208.349 2.001 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000582540710 357338833 /nfs/dbraw/zinc/33/88/33/357338833.db2.gz WVTAZOXEQXNWFF-YNEHKIRRSA-N 2 0 208.349 2.073 10 0 BEAERP C[C@H]([NH2+][C@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000582540707 357338851 /nfs/dbraw/zinc/33/88/51/357338851.db2.gz WVTAZOXEQXNWFF-AVGNSLFASA-N 2 0 208.349 2.073 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000583018742 357450086 /nfs/dbraw/zinc/45/00/86/357450086.db2.gz MUQZJNWSWYYFQJ-XJFOESAGSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCCC[C@H]1C ZINC000685951046 538894784 /nfs/dbraw/zinc/89/47/84/538894784.db2.gz MIQVNLQGAQUFAL-IJLUTSLNSA-N 2 0 210.365 2.105 10 0 BEAERP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000037713813 358092356 /nfs/dbraw/zinc/09/23/56/358092356.db2.gz LUYMLPUYDWSFEM-LLVKDONJSA-N 2 0 222.332 2.003 10 0 BEAERP C[NH+](C)[C@@H]1CC[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC000584624270 358292339 /nfs/dbraw/zinc/29/23/39/358292339.db2.gz OVSOMETVDKFNNR-AAVRWANBSA-N 2 0 224.392 2.447 10 0 BEAERP C=CC[C@@]1(C[NH+]2CCCC2)CCCC[NH2+]1 ZINC000238092631 360552874 /nfs/dbraw/zinc/55/28/74/360552874.db2.gz ITCLQZUBUVAJON-ZDUSSCGKSA-N 2 0 208.349 2.171 10 0 BEAERP C[C@H]([NH2+]CC1CC(C)C1)[C@H]1CCC[NH2+]C1 ZINC000622044514 370677517 /nfs/dbraw/zinc/67/75/17/370677517.db2.gz IWBTWSACQVMNDR-MVKMKZAISA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]C1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000040409855 181341783 /nfs/dbraw/zinc/34/17/83/181341783.db2.gz PGMKITSMHLSKDY-UHFFFAOYSA-N 2 0 218.344 2.294 10 0 BEAERP CC[N@@H+](Cc1ccccc1)C[C@H](C)C(N)=[NH2+] ZINC000139268654 361677170 /nfs/dbraw/zinc/67/71/70/361677170.db2.gz NQBXMWUJWWLQTA-NSHDSACASA-N 2 0 219.332 2.081 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630370015 364088190 /nfs/dbraw/zinc/08/81/90/364088190.db2.gz YJAYDCHHHZHORS-MELADBBJSA-N 2 0 242.407 2.107 10 0 BEAERP [NH3+]CC1([C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000083328857 181361334 /nfs/dbraw/zinc/36/13/34/181361334.db2.gz YOKRXLVIVZAHGM-AWEZNQCLSA-N 2 0 230.355 2.390 10 0 BEAERP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573830847 364927210 /nfs/dbraw/zinc/92/72/10/364927210.db2.gz MUHIGRQFCISIOV-LPWJVIDDSA-N 2 0 210.365 2.010 10 0 BEAERP CC[N@H+](CC(C)C)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054242 541433720 /nfs/dbraw/zinc/43/37/20/541433720.db2.gz QSRQVWXHDYTODZ-OLZOCXBDSA-N 2 0 212.381 2.482 10 0 BEAERP [NH3+]CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000013440099 181383909 /nfs/dbraw/zinc/38/39/09/181383909.db2.gz LJAAVUZYHYDXMK-UHFFFAOYSA-N 2 0 214.312 2.278 10 0 BEAERP CC(C)OCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575172842 365227356 /nfs/dbraw/zinc/22/73/56/365227356.db2.gz LPQZRSNQVUXYGO-ZIAGYGMSSA-N 2 0 242.407 2.169 10 0 BEAERP C[C@@H]1C[C@H]([NH+]2[C@H](C)CCC[C@H]2C)CC[NH2+]1 ZINC000675056245 541462301 /nfs/dbraw/zinc/46/23/01/541462301.db2.gz NBIOJMORQJJEIV-FDYHWXHSSA-N 2 0 210.365 2.390 10 0 BEAERP C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000101381545 368383696 /nfs/dbraw/zinc/38/36/96/368383696.db2.gz XORZBVQTSUNZOY-QWHCGFSZSA-N 2 0 204.317 2.028 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000631837819 369103427 /nfs/dbraw/zinc/10/34/27/369103427.db2.gz XLUNVEKWODRWFX-UTUOFQBUSA-N 2 0 246.345 2.339 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000631837321 369096493 /nfs/dbraw/zinc/09/64/93/369096493.db2.gz QSJAIXGKHHEXPK-MQYQWHSLSA-N 2 0 224.392 2.339 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)[C@H]1CC[NH2+]C1 ZINC000400102764 369342596 /nfs/dbraw/zinc/34/25/96/369342596.db2.gz GUNUYIKGJXYSNE-HKKVPVCXSA-N 2 0 236.403 2.400 10 0 BEAERP [NH3+]Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000033421617 181489369 /nfs/dbraw/zinc/48/93/69/181489369.db2.gz WTEJSYKLRHAWPX-UHFFFAOYSA-N 2 0 234.343 2.010 10 0 BEAERP CCC[N@H+](CCCCC[NH2+]CC)CCN(C)C ZINC000052544244 169153861 /nfs/dbraw/zinc/15/38/61/169153861.db2.gz GOBYUQZIBGFLKJ-UHFFFAOYSA-N 2 0 243.439 2.040 10 0 BEAERP CCC[NH+]1CCC(NC(=[NH2+])c2ccccc2)CC1 ZINC000062993653 169186257 /nfs/dbraw/zinc/18/62/57/169186257.db2.gz LCNZZHCVFPYBCP-UHFFFAOYSA-N 2 0 245.370 2.476 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654068 169206274 /nfs/dbraw/zinc/20/62/74/169206274.db2.gz XFKDNNXXXRQXHS-CHWSQXEVSA-N 2 0 212.381 2.449 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073653963 169208837 /nfs/dbraw/zinc/20/88/37/169208837.db2.gz UQUJSJQFNFSMPR-NEPJUHHUSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000054627123 169255558 /nfs/dbraw/zinc/25/55/58/169255558.db2.gz NPNAWPPWCJUFFO-YHWZYXNKSA-N 2 0 210.365 2.390 10 0 BEAERP CCC[NH2+]CC[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000052511164 169260377 /nfs/dbraw/zinc/26/03/77/169260377.db2.gz OPPAWWQIQVFXDU-KGLIPLIRSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000053654598 169262035 /nfs/dbraw/zinc/26/20/35/169262035.db2.gz SIRDCSHDTFKMJH-ZDUSSCGKSA-N 2 0 212.381 2.354 10 0 BEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CC(C)C)O1 ZINC000052452818 169262811 /nfs/dbraw/zinc/26/28/11/169262811.db2.gz LNPBERLHCJEFHU-KBPBESRZSA-N 2 0 242.407 2.121 10 0 BEAERP CCC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000033465878 169268104 /nfs/dbraw/zinc/26/81/04/169268104.db2.gz XLCUKHAXSNUKAY-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP c1ccc(C[NH+]2CC(CC[NH2+]C3CC3)C2)cc1 ZINC000095082343 183396963 /nfs/dbraw/zinc/39/69/63/183396963.db2.gz WJUYWFSJZWFMLH-UHFFFAOYSA-N 2 0 230.355 2.261 10 0 BEAERP CCC[C@@H](C)C[C@@H](C[NH3+])C1CC[NH2+]CC1 ZINC000068591327 169361245 /nfs/dbraw/zinc/36/12/45/169361245.db2.gz PBDIYGWOEZYYIV-YPMHNXCESA-N 2 0 212.381 2.387 10 0 BEAERP CS[C@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336460626 383951960 /nfs/dbraw/zinc/95/19/60/383951960.db2.gz OMKRDNQHACRNCX-STQMWFEESA-N 2 0 242.432 2.204 10 0 BEAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC1(C)C ZINC000308802843 384298627 /nfs/dbraw/zinc/29/86/27/384298627.db2.gz LLUQIVMIYWFLIV-NSHDSACASA-N 2 0 212.381 2.352 10 0 BEAERP C[NH+](C)[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038338 384392407 /nfs/dbraw/zinc/39/24/07/384392407.db2.gz JOSLALXYAPVKEH-CMPLNLGQSA-N 2 0 210.365 2.247 10 0 BEAERP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335664489 384479995 /nfs/dbraw/zinc/47/99/95/384479995.db2.gz SMIIFNUXOWEHGN-JTQLQIEISA-N 2 0 232.318 2.154 10 0 BEAERP C[C@@H](NCCC[NH3+])c1ccc(F)cc1Cl ZINC000037713797 384511751 /nfs/dbraw/zinc/51/17/51/384511751.db2.gz HMPKVEUBOSADFU-MRVPVSSYSA-N 2 0 230.714 2.479 10 0 BEAERP CCc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713401 384513967 /nfs/dbraw/zinc/51/39/67/384513967.db2.gz SDOWTXNIRXJSOR-LLVKDONJSA-N 2 0 206.333 2.248 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@H]1CCCN1CC ZINC000020091980 384573569 /nfs/dbraw/zinc/57/35/69/384573569.db2.gz VLHUPRHZIXLLKF-QWHCGFSZSA-N 2 0 212.381 2.497 10 0 BEAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])c1cccs1 ZINC000011848776 384619842 /nfs/dbraw/zinc/61/98/42/384619842.db2.gz NETCQYJJJOSYFW-ZDUSSCGKSA-N 2 0 249.383 2.159 10 0 BEAERP CC[C@@H]([NH2+]CCC[NH+](C)C)C(C)(C)C ZINC000308597826 384833739 /nfs/dbraw/zinc/83/37/39/384833739.db2.gz NGTGGQGWEJHGDH-LLVKDONJSA-N 2 0 200.370 2.352 10 0 BEAERP COc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1Cl ZINC000258721235 384940926 /nfs/dbraw/zinc/94/09/26/384940926.db2.gz IYWXUOZQEXDQRY-VIFPVBQESA-N 2 0 242.750 2.176 10 0 BEAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1(C)CC1 ZINC000044516211 385207943 /nfs/dbraw/zinc/20/79/43/385207943.db2.gz FNFLOYIFPQTKNS-LLVKDONJSA-N 2 0 210.365 2.106 10 0 BEAERP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309038127 385375521 /nfs/dbraw/zinc/37/55/21/385375521.db2.gz JITXRCLRLCOZFX-NWDGAFQWSA-N 2 0 216.344 2.056 10 0 BEAERP Cc1c[nH+]c(C2CCOCC2)n1C1CC[NH2+]CC1 ZINC000169676748 385417187 /nfs/dbraw/zinc/41/71/87/385417187.db2.gz ANWSUPXKNUVCEY-UHFFFAOYSA-N 2 0 249.358 2.010 10 0 BEAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)C[NH+](C)C ZINC000336733737 385644634 /nfs/dbraw/zinc/64/46/34/385644634.db2.gz GQXPWPNLKYKCOL-JHJVBQTASA-N 2 0 230.371 2.302 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CC(F)F ZINC000647801108 385810270 /nfs/dbraw/zinc/81/02/70/385810270.db2.gz OBUYLOOQRQVZKU-DCAQKATOSA-N 2 0 234.334 2.255 10 0 BEAERP C[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000062910820 386531194 /nfs/dbraw/zinc/53/11/94/386531194.db2.gz MMDYFQJVKBGXPF-CQSZACIVSA-N 2 0 218.344 2.118 10 0 BEAERP CN(Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911173 386655245 /nfs/dbraw/zinc/65/52/45/386655245.db2.gz IKAFWKFDWVTRJE-LBPRGKRZSA-N 2 0 224.373 2.180 10 0 BEAERP CC(C)Oc1ccccc1[C@H]([NH3+])CCC[NH3+] ZINC000575438567 387131262 /nfs/dbraw/zinc/13/12/62/387131262.db2.gz KYMYEJXFLHJYIW-GFCCVEGCSA-N 2 0 222.332 2.213 10 0 BEAERP C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000335010766 387106775 /nfs/dbraw/zinc/10/67/75/387106775.db2.gz PGTCABZRYLTPGK-HQODWTRASA-N 2 0 234.387 2.009 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccccc1Cl ZINC000575437857 387110896 /nfs/dbraw/zinc/11/08/96/387110896.db2.gz BPIZGCYZRMYUQN-NSHDSACASA-N 2 0 212.724 2.469 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])cc1Cl ZINC000575439455 387123727 /nfs/dbraw/zinc/12/37/27/387123727.db2.gz MHNJJUWMKGUOMA-LLVKDONJSA-N 2 0 212.724 2.387 10 0 BEAERP FC1(F)CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335029633 387124764 /nfs/dbraw/zinc/12/47/64/387124764.db2.gz OTBFFQUZKAVJLU-GHMZBOCLSA-N 2 0 232.318 2.154 10 0 BEAERP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335030041 387124879 /nfs/dbraw/zinc/12/48/79/387124879.db2.gz OTBFFQUZKAVJLU-WDEREUQCSA-N 2 0 232.318 2.154 10 0 BEAERP FC1(F)CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335030038 387124937 /nfs/dbraw/zinc/12/49/37/387124937.db2.gz OTBFFQUZKAVJLU-MNOVXSKESA-N 2 0 232.318 2.154 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000575440232 387127353 /nfs/dbraw/zinc/12/73/53/387127353.db2.gz WJAPWDZLWHDFLV-SECBINFHSA-N 2 0 216.687 2.218 10 0 BEAERP CC(C)CC1([N@H+](C)C(C)C)CC[NH2+]CC1 ZINC000536952983 387164914 /nfs/dbraw/zinc/16/49/14/387164914.db2.gz GIBCFHOGOVFUHJ-UHFFFAOYSA-N 2 0 212.381 2.495 10 0 BEAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423302183 387135651 /nfs/dbraw/zinc/13/56/51/387135651.db2.gz JEJYIQVZLPFBOE-XBFCOCLRSA-N 2 0 224.392 2.256 10 0 BEAERP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000572234168 387283829 /nfs/dbraw/zinc/28/38/29/387283829.db2.gz FEMNKQVVEXGLPR-DGAVXFQQSA-N 2 0 242.407 2.025 10 0 BEAERP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000643453661 387371767 /nfs/dbraw/zinc/37/17/67/387371767.db2.gz QBXJJJVHKCSINS-AEGPPILISA-N 2 0 244.382 2.304 10 0 BEAERP [NH3+]CCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045205611 387510398 /nfs/dbraw/zinc/51/03/98/387510398.db2.gz AIJGCTDSHNJSDC-UHFFFAOYSA-N 2 0 218.344 2.174 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709926 387565472 /nfs/dbraw/zinc/56/54/72/387565472.db2.gz LWYNZBCPMQRCCK-IJLUTSLNSA-N 2 0 238.400 2.267 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCC2 ZINC000037713509 387565444 /nfs/dbraw/zinc/56/54/44/387565444.db2.gz UJPVKJMZPKPHES-NSHDSACASA-N 2 0 218.344 2.175 10 0 BEAERP C[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978136 387788697 /nfs/dbraw/zinc/78/86/97/387788697.db2.gz HAXGQRBKHSTUBN-MCIONIFRSA-N 2 0 248.370 2.042 10 0 BEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000040749285 387794901 /nfs/dbraw/zinc/79/49/01/387794901.db2.gz AMPQSVNWFILAJD-FGWVZKOKSA-N 2 0 222.357 2.202 10 0 BEAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423113003 387896803 /nfs/dbraw/zinc/89/68/03/387896803.db2.gz YADPOBAMIAMDTQ-FQUUOJAGSA-N 2 0 242.407 2.297 10 0 BEAERP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400482577 387973960 /nfs/dbraw/zinc/97/39/60/387973960.db2.gz GBPRQIQKBSRMAP-RCBQFDQVSA-N 2 0 244.382 2.132 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400509559 387985123 /nfs/dbraw/zinc/98/51/23/387985123.db2.gz FDUFLECIJQYQFP-DCAQKATOSA-N 2 0 232.318 2.009 10 0 BEAERP [NH3+]C[C@H](c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000015020667 388455624 /nfs/dbraw/zinc/45/56/24/388455624.db2.gz CLQOCVWWNBVYJO-PWSUYJOCSA-N 2 0 224.735 2.134 10 0 BEAERP [NH3+]C[C@@H](c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000015020674 388456169 /nfs/dbraw/zinc/45/61/69/388456169.db2.gz CLQOCVWWNBVYJO-CMPLNLGQSA-N 2 0 224.735 2.134 10 0 BEAERP CC(C)C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000517229943 388543255 /nfs/dbraw/zinc/54/32/55/388543255.db2.gz MWSLNMXKRAGYSQ-OLZOCXBDSA-N 2 0 224.392 2.400 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000575439953 388630093 /nfs/dbraw/zinc/63/00/93/388630093.db2.gz ZHWBODIQYFDUAZ-QMMMGPOBSA-N 2 0 234.677 2.357 10 0 BEAERP CCCC[C@H](C[NH3+])Nc1cc[nH+]c(C)c1 ZINC000229576766 388795566 /nfs/dbraw/zinc/79/55/66/388795566.db2.gz FVXQSMDCYBMRBQ-GFCCVEGCSA-N 2 0 207.321 2.319 10 0 BEAERP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400437788 533375147 /nfs/dbraw/zinc/37/51/47/533375147.db2.gz LQCXUUUTKTTXIQ-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400343400 533408899 /nfs/dbraw/zinc/40/88/99/533408899.db2.gz GJMBHJBDZLHHNZ-IVZWLZJFSA-N 2 0 238.297 2.163 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400322376 533434478 /nfs/dbraw/zinc/43/44/78/533434478.db2.gz BMBUDTZVYARCAZ-NDBYEHHHSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400549539 533549005 /nfs/dbraw/zinc/54/90/05/533549005.db2.gz XAAGZNIFIKAVPL-BJJPWKGXSA-N 2 0 224.392 2.399 10 0 BEAERP C[C@H]([NH3+])c1ccccc1N1CCC([NH+](C)C)CC1 ZINC000036192324 132340796 /nfs/dbraw/zinc/34/07/96/132340796.db2.gz HOVGYUXHJVAECV-LBPRGKRZSA-N 2 0 247.386 2.237 10 0 BEAERP CC(C)[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053701846 132363124 /nfs/dbraw/zinc/36/31/24/132363124.db2.gz ORWBSKIDXLNUKW-CYBMUJFWSA-N 2 0 233.359 2.296 10 0 BEAERP CCC[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053701407 132363126 /nfs/dbraw/zinc/36/31/26/132363126.db2.gz LFRGQAPJBMGEKX-CYBMUJFWSA-N 2 0 233.359 2.298 10 0 BEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C1CCC1 ZINC000179583376 134322163 /nfs/dbraw/zinc/32/21/63/134322163.db2.gz FXNXOJMQGIXXLD-ZDUSSCGKSA-N 2 0 219.332 2.208 10 0 BEAERP CC1CCC(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000221432420 134324593 /nfs/dbraw/zinc/32/45/93/134324593.db2.gz KKYAMEVBVGJCDL-NEXFUWMNSA-N 2 0 236.403 2.497 10 0 BEAERP CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000070762146 135013060 /nfs/dbraw/zinc/01/30/60/135013060.db2.gz WCGLGHBJNAFHHO-XQQFMLRXSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000252732457 135104669 /nfs/dbraw/zinc/10/46/69/135104669.db2.gz VDUPWUSEVQNAQH-MQYQWHSLSA-N 2 0 224.392 2.495 10 0 BEAERP [NH3+]CC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261538130 135175257 /nfs/dbraw/zinc/17/52/57/135175257.db2.gz FFMKFAAKMUYHQK-LBPRGKRZSA-N 2 0 246.345 2.483 10 0 BEAERP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538158 135175533 /nfs/dbraw/zinc/17/55/33/135175533.db2.gz JYNKNPGEKVJAPV-VXGBXAGGSA-N 2 0 246.345 2.483 10 0 BEAERP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538299 135175743 /nfs/dbraw/zinc/17/57/43/135175743.db2.gz XHEVUKUFKDFWSI-SRVKXCTJSA-N 2 0 246.345 2.481 10 0 BEAERP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538156 135175849 /nfs/dbraw/zinc/17/58/49/135175849.db2.gz JYNKNPGEKVJAPV-NWDGAFQWSA-N 2 0 246.345 2.483 10 0 BEAERP CC1(C)C[N@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000261591783 135232431 /nfs/dbraw/zinc/23/24/31/135232431.db2.gz XZNGWVIFBOUEIE-AWEZNQCLSA-N 2 0 248.370 2.125 10 0 BEAERP CC1(C)C[N@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000261591784 135232802 /nfs/dbraw/zinc/23/28/02/135232802.db2.gz XZNGWVIFBOUEIE-CQSZACIVSA-N 2 0 248.370 2.125 10 0 BEAERP CC1CCC(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000299918632 135381702 /nfs/dbraw/zinc/38/17/02/135381702.db2.gz KKYAMEVBVGJCDL-WUCCLRPBSA-N 2 0 236.403 2.497 10 0 BEAERP C[C@H](CNc1cc[nH+]cc1)C[NH+]1CCCC1 ZINC000062075751 1172738433 /nfs/dbraw/zinc/73/84/33/1172738433.db2.gz DKYIXYLGOHHKQU-GFCCVEGCSA-N 2 0 219.332 2.225 10 0 BEAERP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000414920563 398098517 /nfs/dbraw/zinc/09/85/17/398098517.db2.gz ZQSUYXAGKQBPFV-QNWHQSFQSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258686172 322874844 /nfs/dbraw/zinc/87/48/44/322874844.db2.gz FMKCMICHBOOIEI-MRVPVSSYSA-N 2 0 230.714 2.306 10 0 BEAERP CCc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000258736476 322877078 /nfs/dbraw/zinc/87/70/78/322877078.db2.gz KNDTXLFIKTZHFG-LLVKDONJSA-N 2 0 206.333 2.076 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]12 ZINC000662266472 409564208 /nfs/dbraw/zinc/56/42/08/409564208.db2.gz MDCDQXZFVRURQQ-MGPQQGTHSA-N 2 0 222.376 2.236 10 0 BEAERP C[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000309270010 410690077 /nfs/dbraw/zinc/69/00/77/410690077.db2.gz CYIAPCIJSFJGBQ-VOAKCMCISA-N 2 0 224.392 2.338 10 0 BEAERP Cc1[nH+]ccc(NCCC2(C[NH3+])CC2)c1Cl ZINC000395910844 410867246 /nfs/dbraw/zinc/86/72/46/410867246.db2.gz QZHXRRCMSZPCHH-UHFFFAOYSA-N 2 0 239.750 2.006 10 0 BEAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)CCC[NH+](C)C ZINC000104198360 167101690 /nfs/dbraw/zinc/10/16/90/167101690.db2.gz QSPPBBIUTUAJDS-AWEZNQCLSA-N 3 0 243.439 2.037 10 0 BEAERP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 ZINC000053031984 167113528 /nfs/dbraw/zinc/11/35/28/167113528.db2.gz CQQSVFBNSHXSDR-LBPRGKRZSA-N 2 0 236.403 2.495 10 0 BEAERP CC(C)OCC[N@H+](CCC[NH3+])C1CCCCC1 ZINC000049259236 167229192 /nfs/dbraw/zinc/22/91/92/167229192.db2.gz WAAKDQCJFGHCDJ-UHFFFAOYSA-N 2 0 242.407 2.395 10 0 BEAERP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)c2ccccc21 ZINC000132035061 411176031 /nfs/dbraw/zinc/17/60/31/411176031.db2.gz RMIQFRCFJJALNI-GLQYFDAESA-N 2 0 246.354 2.290 10 0 BEAERP CC1CCC([N@@H+]2CCC[NH2+]C[C@H](C)C2)CC1 ZINC000049665442 168159354 /nfs/dbraw/zinc/15/93/54/168159354.db2.gz YWIXDRFLWVOTHD-MOKVOYLWSA-N 2 0 224.392 2.497 10 0 BEAERP CC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019519089 168184952 /nfs/dbraw/zinc/18/49/52/168184952.db2.gz ZWHSJGZZUYAJST-UHFFFAOYSA-N 2 0 231.343 2.203 10 0 BEAERP CC[NH2+]CC[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545469 170116416 /nfs/dbraw/zinc/11/64/16/170116416.db2.gz GIGOUTLMKHMNRI-OLZOCXBDSA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH2+]C[C@H](C)C[N@H+](CCOC)C(CC)CC ZINC000052573306 170121799 /nfs/dbraw/zinc/12/17/99/170121799.db2.gz FSQPJVGYAHEPMC-ZDUSSCGKSA-N 2 0 244.423 2.369 10 0 BEAERP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934179 170123340 /nfs/dbraw/zinc/12/33/40/170123340.db2.gz WJLLUEBBPWSAGC-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382041 170123390 /nfs/dbraw/zinc/12/33/90/170123390.db2.gz VDIUHXADJIVSBD-KGLIPLIRSA-N 2 0 240.391 2.020 10 0 BEAERP CC[NH2+]Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000032025800 170128286 /nfs/dbraw/zinc/12/82/86/170128286.db2.gz UWVBRZMDWFVEGS-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP CC[NH2+][C@@H](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000104421712 170138825 /nfs/dbraw/zinc/13/88/25/170138825.db2.gz DZHVUNIPPAZMMT-ZDUSSCGKSA-N 2 0 247.386 2.292 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000053860879 170151466 /nfs/dbraw/zinc/15/14/66/170151466.db2.gz HORDZPUCDIFSBL-UONOGXRCSA-N 2 0 224.392 2.497 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCCSCC1 ZINC000053879673 170151683 /nfs/dbraw/zinc/15/16/83/170151683.db2.gz ODULMMFCECUKQI-QWHCGFSZSA-N 2 0 242.432 2.204 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](CC)CCOCC ZINC000104190892 170151790 /nfs/dbraw/zinc/15/17/90/170151790.db2.gz KWPLJDWRAPAYKO-UONOGXRCSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000053862423 170152003 /nfs/dbraw/zinc/15/20/03/170152003.db2.gz OSKPUASRNJYNGX-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](CC)CCOCC ZINC000104190888 170166407 /nfs/dbraw/zinc/16/64/07/170166407.db2.gz KWPLJDWRAPAYKO-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+][C@H]1CCC[C@H]1C[N@H+](CC)[C@@H](C)COC ZINC000053871462 170167305 /nfs/dbraw/zinc/16/73/05/170167305.db2.gz GZCNVJYWNPIWAY-IHRRRGAJSA-N 2 0 242.407 2.121 10 0 BEAERP CCOC1CC[NH+](C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858549 170332289 /nfs/dbraw/zinc/33/22/89/170332289.db2.gz PFARLFLLUMGDNY-TZMCWYRMSA-N 2 0 240.391 2.005 10 0 BEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)c2ccccc21 ZINC000132008267 411732945 /nfs/dbraw/zinc/73/29/45/411732945.db2.gz GIKYBLNNYYEAMX-BVIHXZOGSA-N 2 0 246.354 2.024 10 0 BEAERP CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662267119 412057400 /nfs/dbraw/zinc/05/74/00/412057400.db2.gz SDZVVDJHDWFSIV-RWMBFGLXSA-N 2 0 208.349 2.012 10 0 BEAERP CC[C@@H]1CC[N@H+](CC(C)(C)C)CCC[NH2+]1 ZINC000049667073 171008522 /nfs/dbraw/zinc/00/85/22/171008522.db2.gz SDVQWYSBBJDUJD-GFCCVEGCSA-N 2 0 212.381 2.497 10 0 BEAERP CC[C@@H]1COCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952759 171105494 /nfs/dbraw/zinc/10/54/94/171105494.db2.gz YJDRAMHRHKNLSR-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C[NH3+] ZINC000036128040 171110328 /nfs/dbraw/zinc/11/03/28/171110328.db2.gz VQVFWUADTYGLOM-SWLSCSKDSA-N 2 0 248.370 2.145 10 0 BEAERP CC[C@H](C)C[N@H+](C)CCCOC1CC[NH2+]CC1 ZINC000104389260 171272297 /nfs/dbraw/zinc/27/22/97/171272297.db2.gz NLXHFMDYSUVXQS-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@H](C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000104188387 171340930 /nfs/dbraw/zinc/34/09/30/171340930.db2.gz ZICYQNWMHLOBEN-MJBXVCDLSA-N 2 0 242.407 2.121 10 0 BEAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000665245895 412191408 /nfs/dbraw/zinc/19/14/08/412191408.db2.gz UEFORTDRSJBBSU-ZFWWWQNUSA-N 2 0 232.371 2.391 10 0 BEAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CC[NH2+]C1 ZINC000665267291 412210550 /nfs/dbraw/zinc/21/05/50/412210550.db2.gz UCMDUHIXQMGXLJ-AAEUAGOBSA-N 2 0 210.365 2.154 10 0 BEAERP CC[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000070643945 171648382 /nfs/dbraw/zinc/64/83/82/171648382.db2.gz CYNAWBJZZAQDNS-WTIISPKJSA-N 2 0 210.365 2.425 10 0 BEAERP Cc1cccc(NCC[C@@H]([NH3+])C(C)C)[nH+]1 ZINC000663275745 412405548 /nfs/dbraw/zinc/40/55/48/412405548.db2.gz CQWFGKLWWRHINE-LLVKDONJSA-N 2 0 207.321 2.175 10 0 BEAERP CCn1cc[nH+]c1N[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104305362 172227221 /nfs/dbraw/zinc/22/72/21/172227221.db2.gz UIKIQUZTTZNDQY-WCQYABFASA-N 2 0 236.363 2.223 10 0 BEAERP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000051890043 172848604 /nfs/dbraw/zinc/84/86/04/172848604.db2.gz YOPLCGZZTYOFOK-GFCCVEGCSA-N 2 0 238.762 2.381 10 0 BEAERP C[N@@H+](Cc1ccc(C[NH3+])cc1)C[C@@H]1CCCOC1 ZINC000104204444 172849723 /nfs/dbraw/zinc/84/97/23/172849723.db2.gz ZPQXVFBFNUNQOG-HNNXBMFYSA-N 2 0 248.370 2.004 10 0 BEAERP C[N@@H+]1CCC[C@@H]([C@H]([NH3+])c2ccccc2)C1 ZINC000033882197 173022903 /nfs/dbraw/zinc/02/29/03/173022903.db2.gz BINAJLITODPBLY-CHWSQXEVSA-N 2 0 204.317 2.028 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000044535227 173042409 /nfs/dbraw/zinc/04/24/09/173042409.db2.gz BVIBDNVSZMCKPK-OAHLLOKOSA-N 2 0 232.371 2.161 10 0 BEAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccc(Cl)c2)C1 ZINC000257624428 173119187 /nfs/dbraw/zinc/11/91/87/173119187.db2.gz BKXPARMUWPCNJD-WCQYABFASA-N 2 0 238.762 2.162 10 0 BEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]CC(C)(C)C)C2 ZINC000041051450 173206153 /nfs/dbraw/zinc/20/61/53/173206153.db2.gz DURSZYAYLMPXGX-YHWZYXNKSA-N 2 0 224.392 2.495 10 0 BEAERP C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000037241966 173324498 /nfs/dbraw/zinc/32/44/98/173324498.db2.gz WDJGHEOGTJJGHC-DGCLKSJQSA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC1(C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC000051250003 173337415 /nfs/dbraw/zinc/33/74/15/173337415.db2.gz WBXUGYIJJRHJPF-ZDUSSCGKSA-N 2 0 224.392 2.498 10 0 BEAERP C[NH2+]C[C@@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC000052596936 173367027 /nfs/dbraw/zinc/36/70/27/173367027.db2.gz UEMFUXWLAWFNBM-OAHLLOKOSA-N 2 0 248.370 2.058 10 0 BEAERP C[NH2+]C[C@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC000052670533 173378154 /nfs/dbraw/zinc/37/81/54/173378154.db2.gz HSLPGBMKKVWRBL-HNNXBMFYSA-N 2 0 248.370 2.060 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000011892093 173380684 /nfs/dbraw/zinc/38/06/84/173380684.db2.gz MYQDXFSIEQYJAO-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@H](C)C2)oc1C ZINC000052484382 173386987 /nfs/dbraw/zinc/38/69/87/173386987.db2.gz QNOWPNUQGVRLLE-JTQLQIEISA-N 2 0 222.332 2.149 10 0 BEAERP C[NH2+]Cc1coc(C[NH+]2CCC(C)CC2)c1 ZINC000052377067 173393043 /nfs/dbraw/zinc/39/30/43/173393043.db2.gz WKSFOAKCBUGVAC-UHFFFAOYSA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381308 173399457 /nfs/dbraw/zinc/39/94/57/173399457.db2.gz ZKOCSICHICOTGO-LLVKDONJSA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053862033 173462061 /nfs/dbraw/zinc/46/20/61/173462061.db2.gz WLBGSDFVXSPKCI-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP COC1CC[NH+]([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052455531 174031283 /nfs/dbraw/zinc/03/12/83/174031283.db2.gz CJWMDKWOZNRSMM-ZDUSSCGKSA-N 2 0 242.407 2.121 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042368741 174287571 /nfs/dbraw/zinc/28/75/71/174287571.db2.gz IHASKAHCLWZDAA-UONOGXRCSA-N 2 0 242.407 2.251 10 0 BEAERP COCC[N@H+](CC(C)C)CC1(C[NH3+])CCCC1 ZINC000051251287 174287589 /nfs/dbraw/zinc/28/75/89/174287589.db2.gz GVWFFMRAMNECCO-UHFFFAOYSA-N 2 0 242.407 2.110 10 0 BEAERP COCC[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C1CC1 ZINC000052542390 174298031 /nfs/dbraw/zinc/29/80/31/174298031.db2.gz YWTRNRCAURVQGP-LBPRGKRZSA-N 2 0 242.407 2.121 10 0 BEAERP COc1ccc(NC[C@H](C)CC[NH3+])cc1 ZINC000049814318 175152035 /nfs/dbraw/zinc/15/20/35/175152035.db2.gz SYDHYBVHCGZAQA-SNVBAGLBSA-N 2 0 208.305 2.092 10 0 BEAERP COc1cccc(C[N@@H+]2CCC[C@@H]2CC[NH3+])c1 ZINC000082341618 175259129 /nfs/dbraw/zinc/25/91/29/175259129.db2.gz NGNPPCCBPSOYND-CYBMUJFWSA-N 2 0 234.343 2.008 10 0 BEAERP COc1cccc([C@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000020521467 175292777 /nfs/dbraw/zinc/29/27/77/175292777.db2.gz OPGVSVMPPZVDQK-NSHDSACASA-N 2 0 234.343 2.179 10 0 BEAERP COc1ccccc1C[N@H+](C)CCCCC(N)=[NH2+] ZINC000049579784 175324290 /nfs/dbraw/zinc/32/42/90/175324290.db2.gz ZDNQJJQJXOFZMO-UHFFFAOYSA-N 2 0 249.358 2.233 10 0 BEAERP COc1ccccc1C[N@H+](C)CCCCC[NH3+] ZINC000049580772 175324652 /nfs/dbraw/zinc/32/46/52/175324652.db2.gz QKLOGTBZLWERFZ-UHFFFAOYSA-N 2 0 236.359 2.256 10 0 BEAERP C[C@@H](c1ccc(N)cc1)[N@H+](C)CCC[NH+](C)C ZINC000104196889 176015732 /nfs/dbraw/zinc/01/57/32/176015732.db2.gz SMHMOZBSNTVCIB-LBPRGKRZSA-N 2 0 235.375 2.213 10 0 BEAERP C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cccnc1 ZINC000036770988 176090453 /nfs/dbraw/zinc/09/04/53/176090453.db2.gz SOCLIGCQEAXWNE-UKRRQHHQSA-N 2 0 247.386 2.421 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C(N)=[NH2+])C1 ZINC000019482599 176101692 /nfs/dbraw/zinc/10/16/92/176101692.db2.gz PGAUOVSCCGOQKZ-LLVKDONJSA-N 2 0 231.343 2.203 10 0 BEAERP C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C[NH3+] ZINC000037910095 176108463 /nfs/dbraw/zinc/10/84/63/176108463.db2.gz HZMOAFRVKPFHNB-CYBMUJFWSA-N 2 0 248.370 2.399 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000040717024 176174063 /nfs/dbraw/zinc/17/40/63/176174063.db2.gz GXESIQLLABWTLC-SNVBAGLBSA-N 2 0 222.307 2.126 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)Cc2ccco2)C1 ZINC000035700804 176202089 /nfs/dbraw/zinc/20/20/89/176202089.db2.gz FXBAKHCVUWVZLW-MBNYWOFBSA-N 2 0 236.359 2.475 10 0 BEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)CCc2ccccn2)C1 ZINC000034679443 176208135 /nfs/dbraw/zinc/20/81/35/176208135.db2.gz PWUAPXBRNYIAMH-BPLDGKMQSA-N 2 0 247.386 2.072 10 0 BEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](CN(C)Cc2ccoc2)C1 ZINC000053876501 176208279 /nfs/dbraw/zinc/20/82/79/176208279.db2.gz HLHCFQPHHRRWTO-KWCYVHTRSA-N 2 0 236.359 2.475 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000036771880 176224139 /nfs/dbraw/zinc/22/41/39/176224139.db2.gz VPNSYXMLKFAIHR-BPLDGKMQSA-N 2 0 247.386 2.277 10 0 BEAERP C[C@@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000052764690 176289001 /nfs/dbraw/zinc/28/90/01/176289001.db2.gz ICTXULCUTMFDFH-OLZOCXBDSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@H+](CCC2CCCC2)C1 ZINC000049666898 176324025 /nfs/dbraw/zinc/32/40/25/176324025.db2.gz SRSXRLSTGHWAEB-CYBMUJFWSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccccc2)C1 ZINC000049664207 176324564 /nfs/dbraw/zinc/32/45/64/176324564.db2.gz HXXXKABEVQNWHL-CYBMUJFWSA-N 2 0 218.344 2.118 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC000049664214 176329159 /nfs/dbraw/zinc/32/91/59/176329159.db2.gz CPQBZFAVDHALIR-ZIAGYGMSSA-N 2 0 232.371 2.364 10 0 BEAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(F)cc1 ZINC000049708198 176370547 /nfs/dbraw/zinc/37/05/47/176370547.db2.gz PVIKCEVEHRXVHA-RISCZKNCSA-N 2 0 236.334 2.180 10 0 BEAERP C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000104417748 176391885 /nfs/dbraw/zinc/39/18/85/176391885.db2.gz QZRGMMZHJWNMSG-ZWNOBZJWSA-N 2 0 236.334 2.372 10 0 BEAERP C[C@H](c1ccccc1)[NH+]1CCC[NH2+]CCC1 ZINC000049664317 177038824 /nfs/dbraw/zinc/03/88/24/177038824.db2.gz RAPWJOLKNOLLKW-CYBMUJFWSA-N 2 0 218.344 2.433 10 0 BEAERP C[C@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052378903 177077387 /nfs/dbraw/zinc/07/73/87/177077387.db2.gz GUGTXAPYCDSAJB-JTQLQIEISA-N 2 0 208.305 2.113 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052373315 177102352 /nfs/dbraw/zinc/10/23/52/177102352.db2.gz OMEXHCWLITZGBI-WDEREUQCSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000037910134 177109337 /nfs/dbraw/zinc/10/93/37/177109337.db2.gz GRGNXXPXOFCZLI-GXTWGEPZSA-N 2 0 218.344 2.213 10 0 BEAERP C[C@H]1CC[N@@H+](C2CCCCC2)CCC[NH2+]1 ZINC000049665014 177157892 /nfs/dbraw/zinc/15/78/92/177157892.db2.gz JUKNHGAMDLEYGO-LBPRGKRZSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@H]1CC[NH+](CCc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666813 177161712 /nfs/dbraw/zinc/16/17/12/177161712.db2.gz BPEJRLWFICLCFM-KBPBESRZSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666650 177169735 /nfs/dbraw/zinc/16/97/35/177169735.db2.gz IZEDBLFTOCXBSI-RDBSUJKOSA-N 2 0 247.386 2.463 10 0 BEAERP C[C@H]1CC[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000039110726 177196294 /nfs/dbraw/zinc/19/62/94/177196294.db2.gz CRHBAGGSKRHZQC-UONOGXRCSA-N 2 0 224.392 2.450 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000042427369 177200974 /nfs/dbraw/zinc/20/09/74/177200974.db2.gz SHIOOIDCYVGEGV-DZGCQCFKSA-N 2 0 232.371 2.288 10 0 BEAERP C[C@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C[C@@H]1C ZINC000082835950 177204699 /nfs/dbraw/zinc/20/46/99/177204699.db2.gz HZVHIPHFEIJXIH-AVGNSLFASA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000052764691 177250300 /nfs/dbraw/zinc/25/03/00/177250300.db2.gz ICTXULCUTMFDFH-STQMWFEESA-N 2 0 240.391 2.018 10 0 BEAERP C[C@H]1C[N@H+](CCc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708293 177254633 /nfs/dbraw/zinc/25/46/33/177254633.db2.gz FBMJLPXAUYOKQV-FZMZJTMJSA-N 2 0 236.334 2.037 10 0 BEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH3+] ZINC000034268760 177267079 /nfs/dbraw/zinc/26/70/79/177267079.db2.gz RIEQIRVXRYJFPZ-ONXXMXGDSA-N 2 0 218.344 2.102 10 0 BEAERP C[C@H]1C[NH2+]CCC[N@H+](CCc2ccccc2)C1 ZINC000049664781 177281944 /nfs/dbraw/zinc/28/19/44/177281944.db2.gz CGPAJNUBNKCANU-AWEZNQCLSA-N 2 0 232.371 2.161 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C2CCCCC2)C1 ZINC000049665033 177284702 /nfs/dbraw/zinc/28/47/02/177284702.db2.gz KOGHYQOULZTQSE-BETUJISGSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CC2CCCC2)C1 ZINC000049666024 177285689 /nfs/dbraw/zinc/28/56/89/177285689.db2.gz TVCKCAZMFGQXIQ-STQMWFEESA-N 2 0 224.392 2.354 10 0 BEAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cccc(F)c1 ZINC000049711365 177327062 /nfs/dbraw/zinc/32/70/62/177327062.db2.gz XGKLTGZLTJZDDX-FZMZJTMJSA-N 2 0 236.334 2.180 10 0 BEAERP C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000104417806 177342367 /nfs/dbraw/zinc/34/23/67/177342367.db2.gz TYSPICQPHWJRSZ-GXFFZTMASA-N 2 0 231.343 2.058 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000034651240 177359155 /nfs/dbraw/zinc/35/91/55/177359155.db2.gz QLGJFWDQAYYTID-RYUDHWBXSA-N 2 0 245.370 2.449 10 0 BEAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccccc1F ZINC000049708312 177364250 /nfs/dbraw/zinc/36/42/50/177364250.db2.gz URUTYXYLXYJVLC-WCQYABFASA-N 2 0 236.334 2.180 10 0 BEAERP C[C@H]([NH2+]CC1C(C)(C)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000400359350 225066251 /nfs/dbraw/zinc/06/62/51/225066251.db2.gz CNJJYURANQCKIW-QWRGUYRKSA-N 2 0 224.392 2.256 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400458633 226344005 /nfs/dbraw/zinc/34/40/05/226344005.db2.gz QUYPIKPMWDZLCJ-QJPTWQEYSA-N 2 0 210.365 2.153 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876216 487650108 /nfs/dbraw/zinc/65/01/08/487650108.db2.gz RVKBRXDCICPMFX-MJBXVCDLSA-N 2 0 224.392 2.495 10 0 BEAERP C([NH2+]CC1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000398385001 262760731 /nfs/dbraw/zinc/76/07/31/262760731.db2.gz IOJXVESUIROBIC-ZDUSSCGKSA-N 2 0 210.365 2.156 10 0 BEAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000250845036 487742167 /nfs/dbraw/zinc/74/21/67/487742167.db2.gz HYEJTFRUWMFXJY-DYEKYZERSA-N 2 0 246.354 2.370 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251796056 487797776 /nfs/dbraw/zinc/79/77/76/487797776.db2.gz XEWVDQRFHJEKEU-NTZNESFSSA-N 2 0 238.400 2.396 10 0 BEAERP Cc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000051575049 487933239 /nfs/dbraw/zinc/93/32/39/487933239.db2.gz AEHVKIOKNODAJU-CYBMUJFWSA-N 2 0 247.386 2.210 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@@H]1CCC[NH2+]C1 ZINC000567642545 323034365 /nfs/dbraw/zinc/03/43/65/323034365.db2.gz STPJWAWPMBDMTB-XQQFMLRXSA-N 2 0 242.432 2.250 10 0 BEAERP CC1CCC(C[NH2+]CC2(N(C)C)CC2)CC1 ZINC000397797520 323096665 /nfs/dbraw/zinc/09/66/65/323096665.db2.gz UNRHTACDQUECHQ-UHFFFAOYSA-N 2 0 224.392 2.497 10 0 BEAERP CC(C)SCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669326 323177047 /nfs/dbraw/zinc/17/70/47/323177047.db2.gz GNAFTAHDJRBWNB-RYUDHWBXSA-N 2 0 230.421 2.106 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000564823410 325812223 /nfs/dbraw/zinc/81/22/23/325812223.db2.gz UJSXMTFHOQZBCL-PYJNHQTQSA-N 2 0 222.376 2.010 10 0 BEAERP Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000257656762 488075786 /nfs/dbraw/zinc/07/57/86/488075786.db2.gz QVWKNRQHPJPTFD-GHMZBOCLSA-N 2 0 205.305 2.072 10 0 BEAERP C[C@@H](C[NH3+])CNc1cc[nH+]c2ccccc12 ZINC000083387597 490229261 /nfs/dbraw/zinc/22/92/61/490229261.db2.gz LZVCOJLKRDQWIC-JTQLQIEISA-N 2 0 215.300 2.242 10 0 BEAERP CC(C)(C)OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127826553 490561539 /nfs/dbraw/zinc/56/15/39/490561539.db2.gz XHJKFHXMYOGRDK-QWHCGFSZSA-N 2 0 240.391 2.018 10 0 BEAERP COCC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124082 582499570 /nfs/dbraw/zinc/49/95/70/582499570.db2.gz BOEAKVHLOUNOML-MELADBBJSA-N 2 0 240.391 2.018 10 0 BEAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138391 582517974 /nfs/dbraw/zinc/51/79/74/582517974.db2.gz CAILFRSKEOGFNT-AWEZNQCLSA-N 2 0 240.391 2.223 10 0 BEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757150002 582533852 /nfs/dbraw/zinc/53/38/52/582533852.db2.gz OYMQAAJBQSKGCZ-GXTWGEPZSA-N 2 0 240.391 2.081 10 0 BEAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757150005 582533892 /nfs/dbraw/zinc/53/38/92/582533892.db2.gz OYMQAAJBQSKGCZ-JSGCOSHPSA-N 2 0 240.391 2.081 10 0 BEAERP CCC1(CC)C[NH2+][C@@]2(CCC[N@H+](C)CC2)OC1 ZINC000757152912 582537213 /nfs/dbraw/zinc/53/72/13/582537213.db2.gz VFNIOCVMRQJUAG-AWEZNQCLSA-N 2 0 240.391 2.225 10 0 BEAERP C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400367997 533724265 /nfs/dbraw/zinc/72/42/65/533724265.db2.gz FVSCFRXPMJCDSD-IJLUTSLNSA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400507186 533880902 /nfs/dbraw/zinc/88/09/02/533880902.db2.gz DRORBENTZCJUCY-XQQFMLRXSA-N 2 0 224.392 2.400 10 0 BEAERP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400751974 533960902 /nfs/dbraw/zinc/96/09/02/533960902.db2.gz VVFLNCNJNIXNIP-ZDEQEGDKSA-N 2 0 242.432 2.248 10 0 BEAERP CC(C)CC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400349548 527844321 /nfs/dbraw/zinc/84/43/21/527844321.db2.gz JJHOZGUOWSONRM-XQQFMLRXSA-N 2 0 212.381 2.399 10 0 BEAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000222740647 535940284 /nfs/dbraw/zinc/94/02/84/535940284.db2.gz CZGPMQCRFGTRGM-UPJWGTAASA-N 2 0 212.381 2.493 10 0 BEAERP CC[C@@H]1CCC[N@@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951935 566487082 /nfs/dbraw/zinc/48/70/82/566487082.db2.gz ZJBBRRYOAUXZNT-XQHKEYJVSA-N 2 0 210.365 2.105 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757128024 582503216 /nfs/dbraw/zinc/50/32/16/582503216.db2.gz IOIBDOYHUDMPHC-AAEUAGOBSA-N 2 0 208.349 2.003 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757131245 582505997 /nfs/dbraw/zinc/50/59/97/582505997.db2.gz PXKVBVDERKLGGI-SCRDCRAPSA-N 2 0 222.376 2.249 10 0 BEAERP C(C[N@@H+]1CCC[C@]12CN1CCC2CC1)C1CC1 ZINC000757134179 582510423 /nfs/dbraw/zinc/51/04/23/582510423.db2.gz WRCWNRDJFGFOEQ-OAHLLOKOSA-N 2 0 234.387 2.347 10 0 BEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217892 582562449 /nfs/dbraw/zinc/56/24/49/582562449.db2.gz TZJIIASWNBHJEX-DRABBMOASA-N 2 0 246.354 2.133 10 0 BEAERP [NH3+]C[C@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757219499 582563423 /nfs/dbraw/zinc/56/34/23/582563423.db2.gz XFTVCJFRIOVICJ-BXUZGUMPSA-N 2 0 229.327 2.167 10 0 BEAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757219516 582563935 /nfs/dbraw/zinc/56/39/35/582563935.db2.gz XFTVCJFRIOVICJ-SMDDNHRTSA-N 2 0 229.327 2.167 10 0 BEAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000108353980 583600686 /nfs/dbraw/zinc/60/06/86/583600686.db2.gz NZDCISWSDGIBJO-CHWSQXEVSA-N 2 0 210.365 2.108 10 0 BEAERP CCOCCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757123995 586426373 /nfs/dbraw/zinc/42/63/73/586426373.db2.gz BELULRICDQELPM-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@H]1C[C@@H](c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000757210688 586438184 /nfs/dbraw/zinc/43/81/84/586438184.db2.gz GSIGLPBJSFAMOP-GWCFXTLKSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]1CCC[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757211768 586438934 /nfs/dbraw/zinc/43/89/34/586438934.db2.gz ITWIEAVZCINGCT-GXFFZTMASA-N 2 0 204.317 2.348 10 0 BEAERP CC(=O)c1cccc([C@@H]2[NH2+][C@@H](C)CC[C@H]2C[NH3+])c1 ZINC000757218876 586442251 /nfs/dbraw/zinc/44/22/51/586442251.db2.gz XJCZXMUCVHJDQI-LKTVYLICSA-N 2 0 246.354 2.277 10 0 BEAERP CC(=O)c1ccc([C@H]2CC[C@H](CC[NH3+])C[NH2+]2)cc1 ZINC000757219680 586442382 /nfs/dbraw/zinc/44/23/82/586442382.db2.gz ZBOXRWIXTJRMEY-IUODEOHRSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@@H]1C[C@H](c2cccc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000757233054 586443026 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ZINC000111273430 631861437 /nfs/dbraw/zinc/86/14/37/631861437.db2.gz WXYHQOUBTSAQGF-VHDGCEQUSA-N 2 0 236.403 2.497 10 0 BEAERP C=C/C=C/CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000713735610 711494159 /nfs/dbraw/zinc/49/41/59/711494159.db2.gz PVWRQKWSDKOBDA-IHVVCDCBSA-N 2 0 208.349 2.193 10 0 BEAERP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000050368933 643690454 /nfs/dbraw/zinc/69/04/54/643690454.db2.gz VCZXRWLOERRCJP-UONOGXRCSA-N 2 0 240.391 2.016 10 0 BEAERP C/C=C(/C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096852250 644843429 /nfs/dbraw/zinc/84/34/29/644843429.db2.gz LANSVSBSOCYJIZ-BASWHVEKSA-N 2 0 208.349 2.028 10 0 BEAERP CC(F)(F)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000718574227 711661129 /nfs/dbraw/zinc/66/11/29/711661129.db2.gz YYWKZCDTFGPJFE-AXFHLTTASA-N 2 0 232.318 2.091 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000712378457 712428857 /nfs/dbraw/zinc/42/88/57/712428857.db2.gz PDVBMOZHUOVTKZ-FDZXDKCCSA-N 2 0 222.376 2.425 10 0 BEAERP C[C@H]([NH2+]C1CCC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000718041229 712738070 /nfs/dbraw/zinc/73/80/70/712738070.db2.gz ZFCDTQJSFYCFCS-STQMWFEESA-N 2 0 222.376 2.463 10 0 BEAERP CC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC(F)(F)C1 ZINC000720911736 712877292 /nfs/dbraw/zinc/87/72/92/712877292.db2.gz LVONBEMWHXQOSF-SNVBAGLBSA-N 2 0 232.318 2.154 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000720914061 712877793 /nfs/dbraw/zinc/87/77/93/712877793.db2.gz JYGQDHSQKDKRLO-GHMZBOCLSA-N 2 0 246.345 2.400 10 0 BEAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000724033997 710737127 /nfs/dbraw/zinc/73/71/27/710737127.db2.gz NJXZCTSLPYJDLV-CHWSQXEVSA-N 2 0 233.359 2.058 10 0 BEAERP CCC[C@H](C)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133091184 710967979 /nfs/dbraw/zinc/96/79/79/710967979.db2.gz CNTOGWRHJYPMPP-YNEHKIRRSA-N 2 0 212.381 2.339 10 0 BEAERP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134817417 711561294 /nfs/dbraw/zinc/56/12/94/711561294.db2.gz BPFTULKYTQWGPH-JSGCOSHPSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000701944821 712033242 /nfs/dbraw/zinc/03/32/42/712033242.db2.gz ORSIXGPZDCYDSJ-GMXVVIOVSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000706432424 712145896 /nfs/dbraw/zinc/14/58/96/712145896.db2.gz XQCZYBQTASYPAF-OBJOEFQTSA-N 2 0 224.392 2.400 10 0 BEAERP C[NH2+]CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000378818294 712362623 /nfs/dbraw/zinc/36/26/23/712362623.db2.gz CWSTWXDXJOGMSG-NEPJUHHUSA-N 2 0 210.365 2.106 10 0 BEAERP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000378837357 712362626 /nfs/dbraw/zinc/36/26/26/712362626.db2.gz NAQZGYDSPDYVLR-FRRDWIJNSA-N 2 0 222.376 2.106 10 0 BEAERP C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000712493236 712431476 /nfs/dbraw/zinc/43/14/76/712431476.db2.gz BUPNBQMFQQWBKC-XHJNMGKDSA-N 2 0 222.376 2.153 10 0 BEAERP COCC1CC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000713977279 712475622 /nfs/dbraw/zinc/47/56/22/712475622.db2.gz DQFZVAIOJKQHCB-HBGGEXNNSA-N 2 0 246.354 2.146 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@H]2C)CC1 ZINC000714754351 712497968 /nfs/dbraw/zinc/49/79/68/712497968.db2.gz SBQSRSLCYURQSQ-NEPJUHHUSA-N 2 0 210.365 2.378 10 0 BEAERP c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996534 712528825 /nfs/dbraw/zinc/52/88/25/712528825.db2.gz QBSGTAUPVKFANE-HZPDHXFCSA-N 2 0 244.382 2.446 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CCCS1)[C@@H]1CCC[NH2+]C1 ZINC000715669839 712530308 /nfs/dbraw/zinc/53/03/08/712530308.db2.gz SUTRCGVGMJLMPM-YNEHKIRRSA-N 2 0 242.432 2.250 10 0 BEAERP C(C[C@@H]1CCCS1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000715758338 712531897 /nfs/dbraw/zinc/53/18/97/712531897.db2.gz WWPXEOPTPSVEMD-RYUDHWBXSA-N 2 0 228.405 2.004 10 0 BEAERP C[C@H]1CC([NH2+]CC2CC([NH3+])C2)C[C@H](C)C1 ZINC000719376293 712806864 /nfs/dbraw/zinc/80/68/64/712806864.db2.gz GHVQZSADHVUGSC-QYNFOATHSA-N 2 0 210.365 2.138 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720859856 712870758 /nfs/dbraw/zinc/87/07/58/712870758.db2.gz RMBZKCPFGUCQMB-LPEHRKFASA-N 2 0 238.297 2.100 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000720914063 712877882 /nfs/dbraw/zinc/87/78/82/712877882.db2.gz JYGQDHSQKDKRLO-MNOVXSKESA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000720914065 712878013 /nfs/dbraw/zinc/87/80/13/712878013.db2.gz JYGQDHSQKDKRLO-QWRGUYRKSA-N 2 0 246.345 2.400 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685953528 538898138 /nfs/dbraw/zinc/89/81/38/538898138.db2.gz IGFFGXGJIJTBKY-AAEUAGOBSA-N 2 0 210.365 2.378 10 0 BEAERP CCC1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2CC ZINC000685955367 538900723 /nfs/dbraw/zinc/90/07/23/538900723.db2.gz YLFRVGKAOOKGHD-OTTFEQOBSA-N 2 0 210.365 2.378 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685952585 538896452 /nfs/dbraw/zinc/89/64/52/538896452.db2.gz AOOYVXKQBRWLNU-SNVBAGLBSA-N 2 0 232.318 2.378 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685953106 538897294 /nfs/dbraw/zinc/89/72/94/538897294.db2.gz GBUWERBLNYSNPA-UTUOFQBUSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@H]([N@H+](C)C[C@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000062912003 349496253 /nfs/dbraw/zinc/49/62/53/349496253.db2.gz VHKPDJACYGASJG-WCQYABFASA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000307604085 398179143 /nfs/dbraw/zinc/17/91/43/398179143.db2.gz VFNPCQNJSROIDE-GXTWGEPZSA-N 2 0 218.344 2.022 10 0 BEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C1CC1 ZINC000050578404 178091947 /nfs/dbraw/zinc/09/19/47/178091947.db2.gz ULCMZRXQXPPMAX-ZDUSSCGKSA-N 2 0 222.307 2.228 10 0 BEAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336779760 398248659 /nfs/dbraw/zinc/24/86/59/398248659.db2.gz PMSYJKZCPHBUEG-QWHCGFSZSA-N 2 0 230.371 2.446 10 0 BEAERP CCC(CC)[N@@H+](CCOC)C[C@@H]([NH3+])[C@H](C)CC ZINC000042681729 168374041 /nfs/dbraw/zinc/37/40/41/168374041.db2.gz WLQAXXKLRPTPLT-TZMCWYRMSA-N 2 0 244.423 2.497 10 0 BEAERP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700609 398270013 /nfs/dbraw/zinc/27/00/13/398270013.db2.gz OSIAREHDRLOPEC-MNOVXSKESA-N 2 0 232.318 2.093 10 0 BEAERP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700606 398270154 /nfs/dbraw/zinc/27/01/54/398270154.db2.gz OSIAREHDRLOPEC-GHMZBOCLSA-N 2 0 232.318 2.093 10 0 BEAERP C[NH2+]C[C@@H]1CCCN1C[C@H]1CCCCC1(F)F ZINC000381666543 398269132 /nfs/dbraw/zinc/26/91/32/398269132.db2.gz KNVFGDRCQYPAKX-NEPJUHHUSA-N 2 0 246.345 2.496 10 0 BEAERP CC(C)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037222066 538961970 /nfs/dbraw/zinc/96/19/70/538961970.db2.gz LSHAJSYQJJEIGZ-RYUDHWBXSA-N 2 0 212.381 2.351 10 0 BEAERP [NH3+]CCc1cccc(-c2cccc(C[NH3+])c2)c1 ZINC000005763243 342769684 /nfs/dbraw/zinc/76/96/84/342769684.db2.gz CGNKTSDKKNDIOJ-UHFFFAOYSA-N 2 0 226.323 2.314 10 0 BEAERP CC(C)[NH2+]C1CC[NH+]([C@H](C)C(C)C)CC1 ZINC000390002002 539020110 /nfs/dbraw/zinc/02/01/10/539020110.db2.gz UCKLACKLZAZHAX-GFCCVEGCSA-N 2 0 212.381 2.493 10 0 BEAERP CCc1ccccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361866 529584460 /nfs/dbraw/zinc/58/44/60/529584460.db2.gz NXVSNTISVZKCFV-OCCSQVGLSA-N 2 0 232.371 2.337 10 0 BEAERP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CC1 ZINC000211945949 343017434 /nfs/dbraw/zinc/01/74/34/343017434.db2.gz XLTQBAXSTOXZFH-UHFFFAOYSA-N 2 0 230.355 2.174 10 0 BEAERP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400765508 529654321 /nfs/dbraw/zinc/65/43/21/529654321.db2.gz ZCTUKFAUXRWUQC-QWRGUYRKSA-N 2 0 238.400 2.398 10 0 BEAERP [NH3+]CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037713879 343144396 /nfs/dbraw/zinc/14/43/96/343144396.db2.gz RMZRUFXPUSGZHK-UHFFFAOYSA-N 2 0 233.142 2.432 10 0 BEAERP CCSCC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000128932902 343175849 /nfs/dbraw/zinc/17/58/49/343175849.db2.gz LZOSMFFUSKZMBJ-GFCCVEGCSA-N 2 0 230.421 2.059 10 0 BEAERP C[C@H]1C[NH2+][C@@H](c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000003705119 187247114 /nfs/dbraw/zinc/24/71/14/187247114.db2.gz NUAMEKJUQIMRNT-IUODEOHRSA-N 2 0 248.370 2.298 10 0 BEAERP CC[C@H]1CC[C@H](CC[NH+]2CCCC2)[NH2+]C1 ZINC000238303831 343255451 /nfs/dbraw/zinc/25/54/51/343255451.db2.gz ZNHJTBIWSIYVQQ-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP CCCCOc1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000037713462 343352487 /nfs/dbraw/zinc/35/24/87/343352487.db2.gz IGWIVNWWYNMZDL-UHFFFAOYSA-N 2 0 236.359 2.304 10 0 BEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657780 343503859 /nfs/dbraw/zinc/50/38/59/343503859.db2.gz WHVICIVLOGPDPJ-SYQHCUMBSA-N 2 0 224.392 2.351 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC2)C1 ZINC000037478514 537820008 /nfs/dbraw/zinc/82/00/08/537820008.db2.gz IENRIPWVIMJNFD-RYUDHWBXSA-N 2 0 210.365 2.106 10 0 BEAERP CC[C@@H](OCCC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000219842707 344299970 /nfs/dbraw/zinc/29/99/70/344299970.db2.gz LLVQZOAPNWJUOB-CHWSQXEVSA-N 2 0 228.380 2.081 10 0 BEAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400338063 344494670 /nfs/dbraw/zinc/49/46/70/344494670.db2.gz DUSOGIQJSVDFEE-NWDGAFQWSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@@H]1C[N@@H+]([C@H]2CCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000390097907 259380540 /nfs/dbraw/zinc/38/05/40/259380540.db2.gz NNBDPDOSXYUTFM-MBNYWOFBSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000634998090 345197413 /nfs/dbraw/zinc/19/74/13/345197413.db2.gz ANHCOFUNYRDIIL-NEPJUHHUSA-N 2 0 244.338 2.459 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998710 345198283 /nfs/dbraw/zinc/19/82/83/345198283.db2.gz JNKPVLKOTDWMFG-ONGXEEELSA-N 2 0 224.373 2.083 10 0 BEAERP CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000635000503 345202126 /nfs/dbraw/zinc/20/21/26/345202126.db2.gz PSMVAUYCAWYXCW-OCCSQVGLSA-N 2 0 248.370 2.112 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400749614 345734394 /nfs/dbraw/zinc/73/43/94/345734394.db2.gz VFRKUTGRAISOEM-NTZNESFSSA-N 2 0 238.400 2.267 10 0 BEAERP [NH3+]CCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000034224152 345819833 /nfs/dbraw/zinc/81/98/33/345819833.db2.gz QEQGATBPZMOSLE-UHFFFAOYSA-N 2 0 248.370 2.400 10 0 BEAERP CCC[C@H](CC)[NH2+][C@@H]1CCc2nccn2C1 ZINC000310006144 187310823 /nfs/dbraw/zinc/31/08/23/187310823.db2.gz GRPWMMNFAWEFHW-NWDGAFQWSA-N 2 0 221.348 2.366 10 0 BEAERP CC[N@H+](CC(C)=C1C[NH2+]C1)Cc1ccccc1 ZINC000164792710 346625985 /nfs/dbraw/zinc/62/59/85/346625985.db2.gz CPDWANPSPRWCJM-UHFFFAOYSA-N 2 0 230.355 2.428 10 0 BEAERP CC[NH+]1CCC(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000169726652 346769283 /nfs/dbraw/zinc/76/92/83/346769283.db2.gz NEPRHVUWPNUEOJ-ZDUSSCGKSA-N 2 0 210.365 2.251 10 0 BEAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000062609092 179273633 /nfs/dbraw/zinc/27/36/33/179273633.db2.gz AJGMAEBBERGERR-CYBMUJFWSA-N 2 0 218.344 2.179 10 0 BEAERP Cc1ccccc1[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034958678 179318906 /nfs/dbraw/zinc/31/89/06/179318906.db2.gz OUJGEZAHHGZHDY-GFCCVEGCSA-N 2 0 218.344 2.479 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563804507 323178269 /nfs/dbraw/zinc/17/82/69/323178269.db2.gz SKBBQGMGLYCSOD-LOWDOPEQSA-N 2 0 210.365 2.153 10 0 BEAERP CCSC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000596653572 348607173 /nfs/dbraw/zinc/60/71/73/348607173.db2.gz VOSXRSJQASIYTD-NEPJUHHUSA-N 2 0 242.432 2.250 10 0 BEAERP Cc1[nH]c2ccc(NC3CC[NH2+]CC3)cc2[nH+]1 ZINC000038041382 180095153 /nfs/dbraw/zinc/09/51/53/180095153.db2.gz CHHJLCJBHDHEBW-UHFFFAOYSA-N 2 0 230.315 2.035 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH2+]CCCCSC)[C@H](C)C1 ZINC000133618868 191041236 /nfs/dbraw/zinc/04/12/36/191041236.db2.gz YGWJQASXJPGHBT-OLZOCXBDSA-N 2 0 244.448 2.450 10 0 BEAERP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133589784 191041900 /nfs/dbraw/zinc/04/19/00/191041900.db2.gz QITPSGWTMHPDCZ-VXGBXAGGSA-N 2 0 230.421 2.202 10 0 BEAERP CC1(C)C[NH+](Cc2ccc(C[NH3+])s2)C1 ZINC000306777489 351018559 /nfs/dbraw/zinc/01/85/59/351018559.db2.gz NRVQGBRAVFMMPK-UHFFFAOYSA-N 2 0 210.346 2.049 10 0 BEAERP [NH3+]CCN1CCCCC[C@H]1c1ccccc1CO ZINC000616626297 351106360 /nfs/dbraw/zinc/10/63/60/351106360.db2.gz CGSZYBYSEZLNOB-HNNXBMFYSA-N 2 0 248.370 2.055 10 0 BEAERP C/C(=C\Cl)C[N@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 ZINC000307060270 351458417 /nfs/dbraw/zinc/45/84/17/351458417.db2.gz IZPRHUSWZDKHAP-HSHPDBBSSA-N 2 0 216.756 2.046 10 0 BEAERP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000307520128 352633466 /nfs/dbraw/zinc/63/34/66/352633466.db2.gz PQQYOQSQTYORES-FZMZJTMJSA-N 2 0 231.343 2.236 10 0 BEAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCCCCC1 ZINC000052764277 187987272 /nfs/dbraw/zinc/98/72/72/187987272.db2.gz APLIORCYWDDCPF-ZDUSSCGKSA-N 2 0 210.365 2.395 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223109856 353136699 /nfs/dbraw/zinc/13/66/99/353136699.db2.gz RGEJNWVOHDUDKB-ZIAGYGMSSA-N 2 0 218.344 2.388 10 0 BEAERP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038095341 188290654 /nfs/dbraw/zinc/29/06/54/188290654.db2.gz XEHDWDUEKGXAHJ-AWEZNQCLSA-N 2 0 240.391 2.018 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405531351 353795438 /nfs/dbraw/zinc/79/54/38/353795438.db2.gz YGWVVJKRVGTKKO-QWHCGFSZSA-N 2 0 218.344 2.244 10 0 BEAERP CC(C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577946803 366126134 /nfs/dbraw/zinc/12/61/34/366126134.db2.gz SZKYAEAMMQCVBG-FRRDWIJNSA-N 2 0 212.381 2.256 10 0 BEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000383809907 355358308 /nfs/dbraw/zinc/35/83/08/355358308.db2.gz POGJRQPEEFMITM-LXTVHRRPSA-N 2 0 236.403 2.495 10 0 BEAERP CCN1CC[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000389167591 355747103 /nfs/dbraw/zinc/74/71/03/355747103.db2.gz MWVIJVUITHNPDZ-LBPRGKRZSA-N 2 0 224.373 2.240 10 0 BEAERP CCC[C@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959889 192527121 /nfs/dbraw/zinc/52/71/21/192527121.db2.gz AGZIZEOOKNUDMS-UVYIHGJDSA-N 2 0 208.349 2.048 10 0 BEAERP CC(C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050920 538473270 /nfs/dbraw/zinc/47/32/70/538473270.db2.gz ALZNMCSUTJWXQE-UONOGXRCSA-N 2 0 224.392 2.400 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000583687498 357120217 /nfs/dbraw/zinc/12/02/17/357120217.db2.gz ICQYNDGHBDGNOV-AVGNSLFASA-N 2 0 244.448 2.496 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCCC1(C)C ZINC000685951370 538894541 /nfs/dbraw/zinc/89/45/41/538894541.db2.gz RMTLHLBEAMRCFX-GDNZZTSVSA-N 2 0 210.365 2.105 10 0 BEAERP CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951080 538894585 /nfs/dbraw/zinc/89/45/85/538894585.db2.gz MMZRJMSZIHTYQP-ITGHMWBKSA-N 2 0 224.392 2.493 10 0 BEAERP CC(C)[NH+](C(C)C)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951105 538894727 /nfs/dbraw/zinc/89/47/27/538894727.db2.gz NASCSBQSQORPJN-VXGBXAGGSA-N 2 0 212.381 2.349 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400435478 259476817 /nfs/dbraw/zinc/47/68/17/259476817.db2.gz LAZCPJXNBWJXEE-LPWJVIDDSA-N 2 0 210.365 2.010 10 0 BEAERP CCC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534181 358389574 /nfs/dbraw/zinc/38/95/74/358389574.db2.gz CMIZHRJPQDOQCX-CHWSQXEVSA-N 2 0 212.381 2.354 10 0 BEAERP CC1CCC(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000219815720 134292129 /nfs/dbraw/zinc/29/21/29/134292129.db2.gz KKYAMEVBVGJCDL-PFSRBDOWSA-N 2 0 236.403 2.497 10 0 BEAERP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287051 359518337 /nfs/dbraw/zinc/51/83/37/359518337.db2.gz ZCCZVFYYURWFIW-LSDHHAIUSA-N 2 0 230.355 2.247 10 0 BEAERP CC[C@H](CSC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578518557 366587789 /nfs/dbraw/zinc/58/77/89/366587789.db2.gz UWEIJYYJOUKYGD-GRYCIOLGSA-N 2 0 230.421 2.106 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090175109 360062675 /nfs/dbraw/zinc/06/26/75/360062675.db2.gz CKUZDPSZJNLYIS-SYQHCUMBSA-N 2 0 222.376 2.391 10 0 BEAERP CN(CCN1CCCC1=[NH2+])Cc1ccccc1 ZINC000306520694 360357378 /nfs/dbraw/zinc/35/73/78/360357378.db2.gz LGHWRDISVXJIRA-UHFFFAOYSA-N 2 0 231.343 2.191 10 0 BEAERP CC[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])C1CC1 ZINC000306586108 360485145 /nfs/dbraw/zinc/48/51/45/360485145.db2.gz RBYYIMDEBHOZKI-HNNXBMFYSA-N 2 0 232.371 2.493 10 0 BEAERP C=CC[C@]1(C[NH+]2CCCC2)CCCC[NH2+]1 ZINC000238098866 360554031 /nfs/dbraw/zinc/55/40/31/360554031.db2.gz ITCLQZUBUVAJON-CYBMUJFWSA-N 2 0 208.349 2.171 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069796336 360557972 /nfs/dbraw/zinc/55/79/72/360557972.db2.gz DGYQZTOEKOLBBM-MWLCHTKSSA-N 2 0 210.346 2.090 10 0 BEAERP C([NH2+]C1CCC1)C1CC[NH+](C2CC2)CC1 ZINC000238052369 360543129 /nfs/dbraw/zinc/54/31/29/360543129.db2.gz IBQOVBAJIUASBJ-UHFFFAOYSA-N 2 0 208.349 2.003 10 0 BEAERP Cc1cc(C)cc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000074081418 541312948 /nfs/dbraw/zinc/31/29/48/541312948.db2.gz IOSQOEUPJUENIE-UONOGXRCSA-N 2 0 218.344 2.397 10 0 BEAERP CC(C)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123895249 541318664 /nfs/dbraw/zinc/31/86/64/541318664.db2.gz LCJDPPDQIPVMEK-UHFFFAOYSA-N 2 0 232.371 2.420 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@H](C)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630370010 364088167 /nfs/dbraw/zinc/08/81/67/364088167.db2.gz YJAYDCHHHZHORS-HZSPNIEDSA-N 2 0 242.407 2.107 10 0 BEAERP Cc1cc(N2CCCCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000630550809 364243633 /nfs/dbraw/zinc/24/36/33/364243633.db2.gz XISBCPWNPXMBAV-LBPRGKRZSA-N 2 0 219.332 2.098 10 0 BEAERP [NH3+]CC1(C[NH+]2CCCCCC2)CCCC1 ZINC000049814815 181359453 /nfs/dbraw/zinc/35/94/53/181359453.db2.gz QDNMXOFCRXKNAL-UHFFFAOYSA-N 2 0 210.365 2.382 10 0 BEAERP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000038343314 181364921 /nfs/dbraw/zinc/36/49/21/181364921.db2.gz AKNRJMCMMROJED-GOOCMWNKSA-N 2 0 230.355 2.388 10 0 BEAERP [NH3+]CCCCC[N@@H+]1CCc2ccccc2C1 ZINC000049580616 181374833 /nfs/dbraw/zinc/37/48/33/181374833.db2.gz ZNYDJYHCKBOCOU-UHFFFAOYSA-N 2 0 218.344 2.174 10 0 BEAERP [NH3+]CCC[N@H+](Cc1ccccn1)C1CCCC1 ZINC000036732164 181380044 /nfs/dbraw/zinc/38/00/44/181380044.db2.gz CPPPXJCCNCFUMP-UHFFFAOYSA-N 2 0 233.359 2.175 10 0 BEAERP [NH3+]CCC[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000104320885 181385843 /nfs/dbraw/zinc/38/58/43/181385843.db2.gz RFLOPGXKGMCSMP-AWEZNQCLSA-N 2 0 248.370 2.269 10 0 BEAERP C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574308204 365033450 /nfs/dbraw/zinc/03/34/50/365033450.db2.gz SGGKFFULWKQPAG-KBPBESRZSA-N 2 0 248.370 2.043 10 0 BEAERP [NH3+]CCN(c1cc[nH+]c2ccccc21)C1CC1 ZINC000104325988 181390228 /nfs/dbraw/zinc/39/02/28/181390228.db2.gz ZQSHSMVTLBWLQA-UHFFFAOYSA-N 2 0 227.311 2.162 10 0 BEAERP CCOCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000574747852 365133904 /nfs/dbraw/zinc/13/39/04/365133904.db2.gz RCHGQECTVDMDPO-STQMWFEESA-N 2 0 242.407 2.027 10 0 BEAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000579613593 366908981 /nfs/dbraw/zinc/90/89/81/366908981.db2.gz VLFJVNQUGBMRPU-HBJVGIJOSA-N 2 0 240.391 2.050 10 0 BEAERP C[C@H]1C[N@H+](CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000631836728 369088178 /nfs/dbraw/zinc/08/81/78/369088178.db2.gz FZKXJWXTONATET-AAEUAGOBSA-N 2 0 210.365 2.093 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000631837817 369103964 /nfs/dbraw/zinc/10/39/64/369103964.db2.gz XLUNVEKWODRWFX-IJLUTSLNSA-N 2 0 246.345 2.339 10 0 BEAERP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631839740 369170505 /nfs/dbraw/zinc/17/05/05/369170505.db2.gz KFMZMSKVSFPESR-YPMHNXCESA-N 2 0 210.365 2.093 10 0 BEAERP CC1(C(N)=[NH2+])CC[NH+](Cc2ccccc2)CC1 ZINC000226332760 371648924 /nfs/dbraw/zinc/64/89/24/371648924.db2.gz ZQGGQWILYVMBIE-UHFFFAOYSA-N 2 0 231.343 2.225 10 0 BEAERP C[C@](C[NH3+])(CC1CC1)NCc1ccccc1 ZINC000229716418 372184263 /nfs/dbraw/zinc/18/42/63/372184263.db2.gz JTCSTISYKBWNTM-CQSZACIVSA-N 2 0 218.344 2.294 10 0 BEAERP C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631837830 372630279 /nfs/dbraw/zinc/63/02/79/372630279.db2.gz FYGCXUVPJRURON-RYUDHWBXSA-N 2 0 212.381 2.339 10 0 BEAERP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843057 372641081 /nfs/dbraw/zinc/64/10/81/372641081.db2.gz IYTBBTLFGLFRGA-BZPMIXESSA-N 2 0 218.344 2.274 10 0 BEAERP Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631844458 372642938 /nfs/dbraw/zinc/64/29/38/372642938.db2.gz XLDPZFZRFUFVRV-HIFRSBDPSA-N 2 0 232.371 2.330 10 0 BEAERP Cc1cc(C)cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631844460 372643414 /nfs/dbraw/zinc/64/34/14/372643414.db2.gz XLDPZFZRFUFVRV-ZFWWWQNUSA-N 2 0 232.371 2.330 10 0 BEAERP CC[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069797045 373807041 /nfs/dbraw/zinc/80/70/41/373807041.db2.gz QLFKYTPQXNLPEE-MWLCHTKSSA-N 2 0 210.346 2.090 10 0 BEAERP CCC[N@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC000037469596 169092027 /nfs/dbraw/zinc/09/20/27/169092027.db2.gz GRSCPKZSPOGMRH-UHFFFAOYSA-N 2 0 210.365 2.393 10 0 BEAERP CCCN(CC[NH+](C)C)C[C@](C)(C[NH3+])CCC ZINC000051254305 169158598 /nfs/dbraw/zinc/15/85/98/169158598.db2.gz ZYKCFEUOIDCJKF-AWEZNQCLSA-N 2 0 243.439 2.025 10 0 BEAERP CCC[NH+]1CCC(Nc2cc[nH+]cc2)CC1 ZINC000049558069 169189469 /nfs/dbraw/zinc/18/94/69/169189469.db2.gz RGNRBPKVXCLAKN-UHFFFAOYSA-N 2 0 219.332 2.368 10 0 BEAERP CCC[NH2+]CC1(C[N@H+](C)CCC)CCOCC1 ZINC000052181331 169257591 /nfs/dbraw/zinc/25/75/91/169257591.db2.gz XTKZYBOBCHJMFJ-UHFFFAOYSA-N 2 0 242.407 2.125 10 0 BEAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000104195009 169260291 /nfs/dbraw/zinc/26/02/91/169260291.db2.gz CZTOXMKKGBONCT-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+]CC[C@H](C)N(CCC)CC[NH+](C)C ZINC000052544296 169261603 /nfs/dbraw/zinc/26/16/03/169261603.db2.gz AQVRUSXZAMAYFB-AWEZNQCLSA-N 2 0 243.439 2.038 10 0 BEAERP CCC[NH2+][C@H](C)c1csc(CC[NH+](C)C)n1 ZINC000076810805 169288014 /nfs/dbraw/zinc/28/80/14/169288014.db2.gz KMGNVPBOMGGGGK-SNVBAGLBSA-N 2 0 241.404 2.308 10 0 BEAERP CCC[NH2+]C[C@@](C)(CC)C[N@H+](CCO)C(C)C ZINC000051284712 169264087 /nfs/dbraw/zinc/26/40/87/169264087.db2.gz BUSNOVMDCMSXEV-CQSZACIVSA-N 2 0 244.423 2.105 10 0 BEAERP CCC[NH2+][C@@H](C)C1CC[NH+](CCCOC)CC1 ZINC000104424833 169275119 /nfs/dbraw/zinc/27/51/19/169275119.db2.gz JNYXOJHMJCTQLL-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C ZINC000049694126 169282108 /nfs/dbraw/zinc/28/21/08/169282108.db2.gz KRHZOUMILCWZEV-NWDGAFQWSA-N 2 0 212.381 2.495 10 0 BEAERP CCCO[C@@H]1CCC[N@@H+]([C@@](C)(C[NH3+])C(C)C)C1 ZINC000042421220 169312349 /nfs/dbraw/zinc/31/23/49/169312349.db2.gz QPJPUMKOIJOMOD-KGLIPLIRSA-N 2 0 242.407 2.251 10 0 BEAERP CCC[NH2+][C@H]1CC[N@@H+](C2CCC2)C[C@@H]1C ZINC000052210776 169292096 /nfs/dbraw/zinc/29/20/96/169292096.db2.gz VNMGMFAOWYPYHT-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP CCC[C@@H](C)C[NH2+]CCCC[NH+](C)C ZINC000045663669 169358970 /nfs/dbraw/zinc/35/89/70/169358970.db2.gz QZJLMYRUCRMDBJ-GFCCVEGCSA-N 2 0 200.370 2.354 10 0 BEAERP CCC[C@@H]([NH3+])[C@H](CC)N(C)CCc1ccccn1 ZINC000020260822 169393009 /nfs/dbraw/zinc/39/30/09/169393009.db2.gz UZFQFDQRGCKLOJ-CABCVRRESA-N 2 0 249.402 2.462 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000348149545 383901100 /nfs/dbraw/zinc/90/11/00/383901100.db2.gz KDASVDATUQJTTP-RFHZTLPTSA-N 2 0 222.376 2.247 10 0 BEAERP C[NH+](C)[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038341 384393874 /nfs/dbraw/zinc/39/38/74/384393874.db2.gz JOSLALXYAPVKEH-ZYHUDNBSSA-N 2 0 210.365 2.247 10 0 BEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000100267991 384627718 /nfs/dbraw/zinc/62/77/18/384627718.db2.gz FAVMBQGEOHMFTM-OCAPTIKFSA-N 2 0 245.779 2.156 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000300369473 384702986 /nfs/dbraw/zinc/70/29/86/384702986.db2.gz RHCLBWFLCMCPKE-JWURUJNWSA-N 2 0 222.376 2.390 10 0 BEAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000052275132 384727356 /nfs/dbraw/zinc/72/73/56/384727356.db2.gz KHTYPFSDARRSGL-BMFZPTHFSA-N 2 0 244.382 2.301 10 0 BEAERP C[C@]1([NH2+]C[C@H]2CCC[NH2+]C2)CC=CCC1 ZINC000334852421 384748774 /nfs/dbraw/zinc/74/87/74/384748774.db2.gz GWFUHOQPCLJMGW-STQMWFEESA-N 2 0 208.349 2.074 10 0 BEAERP C[C@]1([NH2+]C[C@@H]2CCC[NH2+]C2)CC=CCC1 ZINC000334852407 384749172 /nfs/dbraw/zinc/74/91/72/384749172.db2.gz GWFUHOQPCLJMGW-OLZOCXBDSA-N 2 0 208.349 2.074 10 0 BEAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccccc1 ZINC000107770138 384784604 /nfs/dbraw/zinc/78/46/04/384784604.db2.gz TWRCTYNCDUNSNJ-CQSZACIVSA-N 2 0 220.360 2.192 10 0 BEAERP Cc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1C ZINC000258654235 384934904 /nfs/dbraw/zinc/93/49/04/384934904.db2.gz AWIZQUJPLQALSU-GFCCVEGCSA-N 2 0 206.333 2.130 10 0 BEAERP Cc1cc(C)c(C[NH2+]CC[C@@H](C)[NH3+])c(C)c1 ZINC000258849376 384947414 /nfs/dbraw/zinc/94/74/14/384947414.db2.gz XEIVVVHXKVYWDN-CYBMUJFWSA-N 2 0 220.360 2.439 10 0 BEAERP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000258877304 384948084 /nfs/dbraw/zinc/94/80/84/384948084.db2.gz KBNWDTACLDVWHG-CYBMUJFWSA-N 2 0 218.344 2.003 10 0 BEAERP CCc1ccc([C@@H](C)[NH2+]CCC[NH3+])s1 ZINC000044376617 385201553 /nfs/dbraw/zinc/20/15/53/385201553.db2.gz NYKMOCOQOIQSDP-SECBINFHSA-N 2 0 212.362 2.310 10 0 BEAERP CSCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178315701 385353652 /nfs/dbraw/zinc/35/36/52/385353652.db2.gz WGQJQCOFEHLEIV-GFCCVEGCSA-N 2 0 239.388 2.019 10 0 BEAERP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309038129 385376183 /nfs/dbraw/zinc/37/61/83/385376183.db2.gz JITXRCLRLCOZFX-VXGBXAGGSA-N 2 0 216.344 2.056 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000259566472 385584998 /nfs/dbraw/zinc/58/49/98/385584998.db2.gz YIFXBZUNIHKGQJ-SECBINFHSA-N 2 0 219.115 2.342 10 0 BEAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000414864991 385770211 /nfs/dbraw/zinc/77/02/11/385770211.db2.gz CKCDTTSOKDNWMP-GRYCIOLGSA-N 2 0 210.365 2.153 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000335034139 385922987 /nfs/dbraw/zinc/92/29/87/385922987.db2.gz IQMBIKDRIFDSQZ-VQXHTEKXSA-N 2 0 232.318 2.424 10 0 BEAERP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414899165 386239734 /nfs/dbraw/zinc/23/97/34/386239734.db2.gz CGSHZKBWWXJHNJ-JHJVBQTASA-N 2 0 210.365 2.012 10 0 BEAERP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C)(C)CC1 ZINC000061822638 386542217 /nfs/dbraw/zinc/54/22/17/386542217.db2.gz LFZLMJDUGUNORV-GFCCVEGCSA-N 2 0 212.381 2.482 10 0 BEAERP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000520216771 386601263 /nfs/dbraw/zinc/60/12/63/386601263.db2.gz DLYURNFPCJIEBM-WCQYABFASA-N 2 0 224.392 2.400 10 0 BEAERP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398353926 386814248 /nfs/dbraw/zinc/81/42/48/386814248.db2.gz JUNCMSGLZLNJJH-CYBMUJFWSA-N 2 0 218.344 2.003 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)cc1F ZINC000575438007 387113405 /nfs/dbraw/zinc/11/34/05/387113405.db2.gz BSDRFMLWPJRRKA-NSHDSACASA-N 2 0 214.259 2.094 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000575438757 387120276 /nfs/dbraw/zinc/12/02/76/387120276.db2.gz ICDYSELXSILINB-SECBINFHSA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000335027589 387120767 /nfs/dbraw/zinc/12/07/67/387120767.db2.gz HCUOSOIMPXENTD-WHXUTIOJSA-N 2 0 232.318 2.281 10 0 BEAERP CCOc1ccccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439479 387123383 /nfs/dbraw/zinc/12/33/83/387123383.db2.gz ADXPIPUXPYGLMZ-LBPRGKRZSA-N 2 0 222.332 2.214 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)cccc1F ZINC000575440349 387127460 /nfs/dbraw/zinc/12/74/60/387127460.db2.gz PEHJCJQUIJMJDL-JTQLQIEISA-N 2 0 214.259 2.094 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)ccc(F)c1F ZINC000575440198 387127912 /nfs/dbraw/zinc/12/79/12/387127912.db2.gz NSAHALGRALHWJJ-VIFPVBQESA-N 2 0 232.249 2.233 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000575438403 387128727 /nfs/dbraw/zinc/12/87/27/387128727.db2.gz ITNAPAVZGBTJGF-JTQLQIEISA-N 2 0 232.249 2.444 10 0 BEAERP CCc1ccc([C@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438386 387129436 /nfs/dbraw/zinc/12/94/36/387129436.db2.gz IOZSNVYTSSGEPU-CYBMUJFWSA-N 2 0 206.333 2.378 10 0 BEAERP Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)cc[nH+]1 ZINC000229577250 387181694 /nfs/dbraw/zinc/18/16/94/387181694.db2.gz SWGQOTIIZYSKRN-ZDUSSCGKSA-N 2 0 221.348 2.200 10 0 BEAERP Cc1c(F)cccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440372 387132738 /nfs/dbraw/zinc/13/27/38/387132738.db2.gz QUHFNWYOMGJFQZ-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])c(F)c1 ZINC000575440404 387133287 /nfs/dbraw/zinc/13/32/87/387133287.db2.gz SYQZYFWPDBRTMH-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000575440500 387135156 /nfs/dbraw/zinc/13/51/56/387135156.db2.gz ZQPHEEYLWVEKOH-JTQLQIEISA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(F)c1F ZINC000575440455 387135403 /nfs/dbraw/zinc/13/54/03/387135403.db2.gz WCRWAGKKWJVAPF-JTQLQIEISA-N 2 0 214.259 2.094 10 0 BEAERP Cc1ccc(F)c([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575440461 387135692 /nfs/dbraw/zinc/13/56/92/387135692.db2.gz WLPWCVVLLLFJFA-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000572234170 387283652 /nfs/dbraw/zinc/28/36/52/387283652.db2.gz FEMNKQVVEXGLPR-XUXIUFHCSA-N 2 0 242.407 2.025 10 0 BEAERP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000572234166 387284178 /nfs/dbraw/zinc/28/41/78/387284178.db2.gz FEMNKQVVEXGLPR-CRWXNKLISA-N 2 0 242.407 2.025 10 0 BEAERP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000643500453 387335403 /nfs/dbraw/zinc/33/54/03/387335403.db2.gz XPXFAXTZYJQRSK-PIGZVRMJSA-N 2 0 222.376 2.294 10 0 BEAERP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000396897897 387509015 /nfs/dbraw/zinc/50/90/15/387509015.db2.gz AISHFZSFLKIGMW-VHSXEESVSA-N 2 0 238.297 2.307 10 0 BEAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)CC(F)(F)F ZINC000396899521 387509989 /nfs/dbraw/zinc/50/99/89/387509989.db2.gz CCTSAPVYDDEKFC-IDKOKCKLSA-N 2 0 238.297 2.434 10 0 BEAERP CCN1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324854549 387540872 /nfs/dbraw/zinc/54/08/72/387540872.db2.gz ZARWZQRIBIMINB-KBPBESRZSA-N 2 0 222.376 2.249 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400482579 387972688 /nfs/dbraw/zinc/97/26/88/387972688.db2.gz GBPRQIQKBSRMAP-VBNZEHGJSA-N 2 0 244.382 2.132 10 0 BEAERP Cc1csc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000335728648 388453449 /nfs/dbraw/zinc/45/34/49/388453449.db2.gz ZBSZQTUZPOPHLT-LLVKDONJSA-N 2 0 224.373 2.288 10 0 BEAERP CSC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000517122843 388538540 /nfs/dbraw/zinc/53/85/40/388538540.db2.gz LBRFARMCBXBXEM-NWDGAFQWSA-N 2 0 242.432 2.250 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)cccc1F ZINC000575439962 388630078 /nfs/dbraw/zinc/63/00/78/388630078.db2.gz PEHJCJQUIJMJDL-SNVBAGLBSA-N 2 0 214.259 2.094 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000250644014 388700874 /nfs/dbraw/zinc/70/08/74/388700874.db2.gz IFQRFSKEHYUZAT-RBSFLKMASA-N 2 0 230.355 2.246 10 0 BEAERP Cc1cc(C)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000565592876 388955282 /nfs/dbraw/zinc/95/52/82/388955282.db2.gz SJCJDDACLMRFNI-KGLIPLIRSA-N 2 0 247.386 2.176 10 0 BEAERP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000400507993 533454594 /nfs/dbraw/zinc/45/45/94/533454594.db2.gz DWDUMOOSFRMPBZ-PWSUYJOCSA-N 2 0 238.762 2.428 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400335424 533505780 /nfs/dbraw/zinc/50/57/80/533505780.db2.gz FFONLLMNIKRLNV-OUCADQQQSA-N 2 0 218.344 2.335 10 0 BEAERP C[C@@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000400483138 533532733 /nfs/dbraw/zinc/53/27/33/533532733.db2.gz WRHMLCPKZGTXBX-NQBHXWOUSA-N 2 0 210.365 2.153 10 0 BEAERP c1cc(N2CCC3(CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000034774912 132336847 /nfs/dbraw/zinc/33/68/47/132336847.db2.gz UURPZDUBVYSYRO-UHFFFAOYSA-N 2 0 231.343 2.052 10 0 BEAERP CC[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1 ZINC000053698240 132363167 /nfs/dbraw/zinc/36/31/67/132363167.db2.gz IDYAQSAFHZRFAS-CYBMUJFWSA-N 2 0 219.332 2.050 10 0 BEAERP CC[NH2+][C@H](C)[C@@H]1CCCCN1c1cc[nH+]cc1 ZINC000104414990 132436815 /nfs/dbraw/zinc/43/68/15/132436815.db2.gz XMELWONUEPCIJD-OCCSQVGLSA-N 2 0 233.359 2.439 10 0 BEAERP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c[nH]1 ZINC000180124085 134323471 /nfs/dbraw/zinc/32/34/71/134323471.db2.gz FSYAUYVRVVINDV-UHFFFAOYSA-N 2 0 247.386 2.323 10 0 BEAERP CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000251772094 135076614 /nfs/dbraw/zinc/07/66/14/135076614.db2.gz WCGLGHBJNAFHHO-JHJVBQTASA-N 2 0 212.381 2.495 10 0 BEAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CC1CCC(C)CC1 ZINC000261536978 135109060 /nfs/dbraw/zinc/10/90/60/135109060.db2.gz ULIUWVVUIDXIOR-KPFVRQRISA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538246 135175272 /nfs/dbraw/zinc/17/52/72/135175272.db2.gz UGEOONNLIBNMLK-GRYCIOLGSA-N 2 0 246.345 2.481 10 0 BEAERP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538155 135175514 /nfs/dbraw/zinc/17/55/14/135175514.db2.gz JYNKNPGEKVJAPV-NEPJUHHUSA-N 2 0 246.345 2.483 10 0 BEAERP Cc1csc(CN2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261564475 135205983 /nfs/dbraw/zinc/20/59/83/135205983.db2.gz CPVUCOQHFZWMKW-SNVBAGLBSA-N 2 0 239.388 2.011 10 0 BEAERP CC1CCC(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000084339658 135210493 /nfs/dbraw/zinc/21/04/93/135210493.db2.gz SPFWUHOXAFEVFU-RUXDESIVSA-N 2 0 224.392 2.483 10 0 BEAERP [NH3+]C1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000335024200 135866563 /nfs/dbraw/zinc/86/65/63/135866563.db2.gz AFOXLGBDCQSMAD-UHFFFAOYSA-N 2 0 232.318 2.424 10 0 BEAERP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000398074224 397977833 /nfs/dbraw/zinc/97/78/33/397977833.db2.gz KKKPFGNLGQAELN-RTXFEEFZSA-N 2 0 210.365 2.282 10 0 BEAERP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000414920567 398098707 /nfs/dbraw/zinc/09/87/07/398098707.db2.gz ZQSUYXAGKQBPFV-XQHKEYJVSA-N 2 0 210.365 2.010 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662266590 409566983 /nfs/dbraw/zinc/56/69/83/409566983.db2.gz NIONPDIVYPISIM-RHYQMDGZSA-N 2 0 246.345 2.337 10 0 BEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCOCC1(C)C ZINC000052546025 167002825 /nfs/dbraw/zinc/00/28/25/167002825.db2.gz LGUDIJCOALSLKE-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP CC(C)[NH2+]CCCC[N@H+](C)C[C@H]1CCCOC1 ZINC000104189220 167101987 /nfs/dbraw/zinc/10/19/87/167101987.db2.gz PNSDEWJHWPGZKV-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCOCC1(C)C ZINC000052546159 167102013 /nfs/dbraw/zinc/10/20/13/167102013.db2.gz BISSCBIWGASXJY-ZDUSSCGKSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)[NH2+]Cc1sccc1C[NH+](C)C ZINC000045205666 167123172 /nfs/dbraw/zinc/12/31/72/167123172.db2.gz JKSDAVDZMVZUDV-UHFFFAOYSA-N 2 0 212.362 2.308 10 0 BEAERP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713329 167301318 /nfs/dbraw/zinc/30/13/18/167301318.db2.gz XVAMSQNQPXWYHR-LBPRGKRZSA-N 2 0 236.359 2.473 10 0 BEAERP CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000036787463 167367519 /nfs/dbraw/zinc/36/75/19/167367519.db2.gz LXTRHTQTNRHVHA-LLVKDONJSA-N 2 0 233.359 2.447 10 0 BEAERP CC[NH+](CC)[C@@H](C)c1nc(CC[NH3+])cs1 ZINC000019731697 169796445 /nfs/dbraw/zinc/79/64/45/169796445.db2.gz ACKPWEMJYUZYET-VIFPVBQESA-N 2 0 227.377 2.047 10 0 BEAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783027 411360084 /nfs/dbraw/zinc/36/00/84/411360084.db2.gz MCDMYQKOMQHFDT-MGPQQGTHSA-N 2 0 247.386 2.163 10 0 BEAERP CC1CC[NH+](CCOc2ccc(C[NH3+])cc2)CC1 ZINC000037049715 168181846 /nfs/dbraw/zinc/18/18/46/168181846.db2.gz YFSAVDOKAAKWNG-UHFFFAOYSA-N 2 0 248.370 2.256 10 0 BEAERP CC1CC[NH+](CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000026510923 168182901 /nfs/dbraw/zinc/18/29/01/168182901.db2.gz DGNOIYCJULJQJE-GFCCVEGCSA-N 2 0 212.381 2.482 10 0 BEAERP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC)C2)CCO1 ZINC000070359364 411412085 /nfs/dbraw/zinc/41/20/85/411412085.db2.gz AEHOYXHSPUEKAT-BFHYXJOUSA-N 2 0 240.391 2.018 10 0 BEAERP CC[NH2+]C[C@@H](C(C)C)[N@H+](CCOC)[C@@H](C)CC ZINC000052547178 170118055 /nfs/dbraw/zinc/11/80/55/170118055.db2.gz FBGPFHXLKLUTLN-KBPBESRZSA-N 2 0 244.423 2.367 10 0 BEAERP CC[NH2+]C[C@H](C)C[N@H+](C)CC1CCCC1 ZINC000069625404 170121512 /nfs/dbraw/zinc/12/15/12/170121512.db2.gz WJBMXZHIVRNCJQ-LBPRGKRZSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+][C@@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1C ZINC000049713169 170151600 /nfs/dbraw/zinc/15/16/00/170151600.db2.gz CIWPUYJPDHRDOJ-NWDGAFQWSA-N 2 0 212.381 2.352 10 0 BEAERP CC[C@@H]1CCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037914215 170981602 /nfs/dbraw/zinc/98/16/02/170981602.db2.gz RXXCQQKLSTXKDB-WXRRBKDZSA-N 2 0 210.365 2.378 10 0 BEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CCCOC)C1 ZINC000062029616 171055431 /nfs/dbraw/zinc/05/54/31/171055431.db2.gz SSJQXAJLUJDSAW-MGPQQGTHSA-N 2 0 242.407 2.108 10 0 BEAERP CC[C@@H]1C[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)CCO1 ZINC000052477270 171094841 /nfs/dbraw/zinc/09/48/41/171094841.db2.gz KPOXFOUFWCSTLA-UONOGXRCSA-N 2 0 242.407 2.264 10 0 BEAERP CC[C@@H]1COCC[N@@H+]1CCCCC[NH2+]C(C)C ZINC000052481589 171106206 /nfs/dbraw/zinc/10/62/06/171106206.db2.gz MZXWMBAWURLSHK-CQSZACIVSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000051210743 171166144 /nfs/dbraw/zinc/16/61/44/171166144.db2.gz GAGSZOQJYLYWDA-ZDUSSCGKSA-N 2 0 238.400 2.481 10 0 BEAERP CC[C@@](C)(C[NH2+]CC(C)C)C[N@H+](C)CCOC ZINC000051258908 171167053 /nfs/dbraw/zinc/16/70/53/171167053.db2.gz XNWZPWUTVDLODL-AWEZNQCLSA-N 2 0 244.423 2.227 10 0 BEAERP CC[C@H](C)[N@H+](C)[C@@H](CN)c1ccc(OC)cc1 ZINC000037109755 171309469 /nfs/dbraw/zinc/30/94/69/171309469.db2.gz WIUNGHBUTYJDGG-FZMZJTMJSA-N 2 0 236.359 2.425 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042562933 171316060 /nfs/dbraw/zinc/31/60/60/171316060.db2.gz FKKSHPMCDFMGTM-BFHYXJOUSA-N 2 0 242.407 2.251 10 0 BEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000665236391 412175840 /nfs/dbraw/zinc/17/58/40/412175840.db2.gz LVRVKFLJYAHIIU-SDDRHHMPSA-N 2 0 212.381 2.399 10 0 BEAERP CC[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665238114 412177664 /nfs/dbraw/zinc/17/76/64/412177664.db2.gz QXNHFVDSIFILJJ-YNEHKIRRSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@H]([NH2+]CCC(C)(C)F)[C@H]1CCC[NH2+]C1 ZINC000665261703 412203503 /nfs/dbraw/zinc/20/35/03/412203503.db2.gz JWQOWITXRZHGER-QWRGUYRKSA-N 2 0 216.344 2.102 10 0 BEAERP C[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CCC[NH2+]C1 ZINC000665261701 412203824 /nfs/dbraw/zinc/20/38/24/412203824.db2.gz JWQOWITXRZHGER-GHMZBOCLSA-N 2 0 216.344 2.102 10 0 BEAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CC[NH2+]C1 ZINC000665267294 412203885 /nfs/dbraw/zinc/20/38/85/412203885.db2.gz UCMDUHIXQMGXLJ-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000665263962 412207838 /nfs/dbraw/zinc/20/78/38/412207838.db2.gz YZMSSQDOBKJTSF-CJQNXBEJSA-N 2 0 222.376 2.282 10 0 BEAERP C[NH+]1CCC(n2c(N)[nH+]c3cccc(F)c32)CC1 ZINC000075947928 173001371 /nfs/dbraw/zinc/00/13/71/173001371.db2.gz QZBXAICNKIUSCQ-UHFFFAOYSA-N 2 0 248.305 2.024 10 0 BEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCc1ccccn1 ZINC000049773269 173007378 /nfs/dbraw/zinc/00/73/78/173007378.db2.gz OLAQWQQDAMYTPL-HNNXBMFYSA-N 2 0 247.386 2.088 10 0 BEAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(F)F)CC[C@H]21 ZINC000336203760 173058031 /nfs/dbraw/zinc/05/80/31/173058031.db2.gz PGPJLFCSSHKVMW-NWDGAFQWSA-N 2 0 246.345 2.448 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037484681 173116403 /nfs/dbraw/zinc/11/64/03/173116403.db2.gz FZSXLTDQEVQDQN-LBPRGKRZSA-N 2 0 238.762 2.381 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037484573 173146949 /nfs/dbraw/zinc/14/69/49/173146949.db2.gz IKVBNPRFNJYJAO-GFCCVEGCSA-N 2 0 238.762 2.381 10 0 BEAERP C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000037241962 173324250 /nfs/dbraw/zinc/32/42/50/173324250.db2.gz WDJGHEOGTJJGHC-YPMHNXCESA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541607 173357878 /nfs/dbraw/zinc/35/78/78/173357878.db2.gz ORZCPWRJHFGSIW-GFCCVEGCSA-N 2 0 236.359 2.125 10 0 BEAERP C[NH2+]CCc1ccccc1C[NH+]1CCCC1 ZINC000083007804 173360534 /nfs/dbraw/zinc/36/05/34/173360534.db2.gz FAEMCXGFARSTFV-UHFFFAOYSA-N 2 0 218.344 2.044 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034214 173369629 /nfs/dbraw/zinc/36/96/29/173369629.db2.gz PTBLZHSMLIYUIK-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccsc2)C1 ZINC000061363906 173382012 /nfs/dbraw/zinc/38/20/12/173382012.db2.gz UTGXZZURKAMNBY-WDEREUQCSA-N 2 0 224.373 2.350 10 0 BEAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381215 173391452 /nfs/dbraw/zinc/39/14/52/173391452.db2.gz OZSZGXJFSZMNHI-LLVKDONJSA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+]Cc1coc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000052378904 173394050 /nfs/dbraw/zinc/39/40/50/173394050.db2.gz VESPAGSBOLWMFA-LLVKDONJSA-N 2 0 222.332 2.373 10 0 BEAERP C[NH2+]Cc1occc1C[NH+]1CCC(C)CC1 ZINC000052376983 173399814 /nfs/dbraw/zinc/39/98/14/173399814.db2.gz PPBSAMVIZKWNKB-UHFFFAOYSA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+][C@H](CC[NH+]1CCC(OC)CC1)C(C)(C)C ZINC000054027714 173451739 /nfs/dbraw/zinc/45/17/39/173451739.db2.gz WHIVUECHPDIFHN-CYBMUJFWSA-N 2 0 242.407 2.121 10 0 BEAERP COCCCCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124048703 174175956 /nfs/dbraw/zinc/17/59/56/174175956.db2.gz XQSOTEZEVIWDHR-KGLIPLIRSA-N 2 0 242.407 2.218 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052508777 174286953 /nfs/dbraw/zinc/28/69/53/174286953.db2.gz FYJNNJNMDHAWCV-AWEZNQCLSA-N 2 0 244.423 2.367 10 0 BEAERP COCC[N@H+](CC1(C[NH3+])CCCCC1)C1CC1 ZINC000051253327 174287956 /nfs/dbraw/zinc/28/79/56/174287956.db2.gz ACGPPHAHSZMGKP-UHFFFAOYSA-N 2 0 240.391 2.006 10 0 BEAERP COCC[N@H+](CCCCC[NH2+]C(C)C)C1CC1 ZINC000052542495 174290840 /nfs/dbraw/zinc/29/08/40/174290840.db2.gz HHAWMCUPYWXBHA-UHFFFAOYSA-N 2 0 242.407 2.266 10 0 BEAERP COCC[N@H+](CCC[C@H]1CCC[NH2+]1)CC(C)C ZINC000052764475 174291113 /nfs/dbraw/zinc/29/11/13/174291113.db2.gz WCNRQVSAUDNDSQ-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP COc1ccc(C)cc1[C@H](CCC[NH3+])[NH+](C)C ZINC000019673882 175082552 /nfs/dbraw/zinc/08/25/52/175082552.db2.gz VSPQCHPSQIJHTB-ZDUSSCGKSA-N 2 0 236.359 2.345 10 0 BEAERP COc1cccc2cc([C@H](C)[NH2+]CCC[NH3+])oc21 ZINC000037713533 175307565 /nfs/dbraw/zinc/30/75/65/175307565.db2.gz JGFRYVZRSRDFOO-JTQLQIEISA-N 2 0 248.326 2.441 10 0 BEAERP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666678 176027961 /nfs/dbraw/zinc/02/79/61/176027961.db2.gz XINNRMQKLWURFW-MCIONIFRSA-N 2 0 247.386 2.463 10 0 BEAERP C[C@@H](c1cccs1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068174 176032451 /nfs/dbraw/zinc/03/24/51/176032451.db2.gz QYMSWJMQVBNDBN-QWRGUYRKSA-N 2 0 224.373 2.493 10 0 BEAERP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[NH2+]CCC1 ZINC000042867336 176075664 /nfs/dbraw/zinc/07/56/64/176075664.db2.gz CFOVPAXGHVIEDF-ZIAGYGMSSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000042427467 176202788 /nfs/dbraw/zinc/20/27/88/176202788.db2.gz DPFOMVJJLYPKFN-MNOVXSKESA-N 2 0 224.373 2.307 10 0 BEAERP C[C@@H]1C[N@@H+](C2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000335348067 176283233 /nfs/dbraw/zinc/28/32/33/176283233.db2.gz CWTGYVFDOYYDDD-DGCLKSJQSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1C[N@H+](CCCC[NH2+]C(C)(C)C)[C@H](C)CO1 ZINC000052476234 176288035 /nfs/dbraw/zinc/28/80/35/176288035.db2.gz YJUJCCXTFNVEIQ-CHWSQXEVSA-N 2 0 242.407 2.264 10 0 BEAERP C[C@@H]1C[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000037157220 176315168 /nfs/dbraw/zinc/31/51/68/176315168.db2.gz UPXAXZZNSBLZRV-AAVRWANBSA-N 2 0 240.391 2.003 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660185 176324534 /nfs/dbraw/zinc/32/45/34/176324534.db2.gz MCNYFOSFCSNYAW-FVQBIDKESA-N 2 0 244.382 2.474 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](CC2CCC([NH3+])CC2)C1 ZINC000037482398 176360893 /nfs/dbraw/zinc/36/08/93/176360893.db2.gz BFWJAEKFMYPDBD-IWMBGFJWSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@H](c1cccs1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511630 177048967 /nfs/dbraw/zinc/04/89/67/177048967.db2.gz FCNLHUVQLBZFDF-SNVBAGLBSA-N 2 0 224.373 2.480 10 0 BEAERP C[C@H](c1cccs1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000049717087 177049398 /nfs/dbraw/zinc/04/93/98/177049398.db2.gz OCDCTKMOISDFDX-MNOVXSKESA-N 2 0 224.373 2.493 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000037910074 177110120 /nfs/dbraw/zinc/11/01/20/177110120.db2.gz CNWRFKAZELTYJW-JTQLQIEISA-N 2 0 222.307 2.269 10 0 BEAERP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCC[C@@H]1[NH3+] ZINC000058058429 177132431 /nfs/dbraw/zinc/13/24/31/177132431.db2.gz IUZAKXVLAMMAOF-CYDGBPFRSA-N 2 0 210.365 2.377 10 0 BEAERP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@H](C)[NH2+]1 ZINC000042824643 177161552 /nfs/dbraw/zinc/16/15/52/177161552.db2.gz DGIDCJKZMNHUOJ-MJBXVCDLSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666706 177170258 /nfs/dbraw/zinc/17/02/58/177170258.db2.gz CITSHMQMXAUCPR-RDBSUJKOSA-N 2 0 247.386 2.463 10 0 BEAERP C[C@@H]([C@@H]1CCCO1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666220 177170414 /nfs/dbraw/zinc/17/04/14/177170414.db2.gz RORNMGXJVDYNHS-CRWXNKLISA-N 2 0 240.391 2.016 10 0 BEAERP C[C@H]1CC[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055023091 177170677 /nfs/dbraw/zinc/17/06/77/177170677.db2.gz XETMMTVEQOMZNJ-AAEUAGOBSA-N 2 0 231.343 2.396 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000042427266 177201075 /nfs/dbraw/zinc/20/10/75/177201075.db2.gz UULKCNKNLCNSLY-WDEREUQCSA-N 2 0 224.373 2.307 10 0 BEAERP C[C@H]1C[N@H+](CC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000061934320 177254280 /nfs/dbraw/zinc/25/42/80/177254280.db2.gz SLTFGTNZJQBDBX-ZFWWWQNUSA-N 2 0 248.370 2.187 10 0 BEAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380697 177274140 /nfs/dbraw/zinc/27/41/40/177274140.db2.gz HRDHGAZRFYAJFG-AVGNSLFASA-N 2 0 240.391 2.016 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081411 177312943 /nfs/dbraw/zinc/31/29/43/177312943.db2.gz BPBXBTIVPVRTCY-CRWXNKLISA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171880 177313595 /nfs/dbraw/zinc/31/35/95/177313595.db2.gz VGNQZVZHQGPECK-XQQFMLRXSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764251 177358170 /nfs/dbraw/zinc/35/81/70/177358170.db2.gz FKDUKLRXMMRFNB-IHRRRGAJSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000400325061 226340473 /nfs/dbraw/zinc/34/04/73/226340473.db2.gz DDGPRLCVZLHSLU-NEPJUHHUSA-N 2 0 224.392 2.400 10 0 BEAERP Cc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400328518 226340904 /nfs/dbraw/zinc/34/09/04/226340904.db2.gz BCNWOPJALMFQLV-DZGCQCFKSA-N 2 0 232.371 2.125 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000400343401 226341215 /nfs/dbraw/zinc/34/12/15/226341215.db2.gz GJMBHJBDZLHHNZ-LPEHRKFASA-N 2 0 238.297 2.163 10 0 BEAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400474739 226344281 /nfs/dbraw/zinc/34/42/81/226344281.db2.gz ZJOJOBBVVIHMFF-OCCSQVGLSA-N 2 0 218.344 2.083 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000666743701 487869008 /nfs/dbraw/zinc/86/90/08/487869008.db2.gz OUARPOHTBFNGAH-RAIGVLPGSA-N 2 0 210.365 2.282 10 0 BEAERP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000398338611 323006828 /nfs/dbraw/zinc/00/68/28/323006828.db2.gz FHGSXMGQFULSGQ-GFCCVEGCSA-N 2 0 238.762 2.348 10 0 BEAERP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414899749 323151870 /nfs/dbraw/zinc/15/18/70/323151870.db2.gz CSHMPBWUKPADBF-MRVWCRGKSA-N 2 0 222.376 2.154 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000563804509 323178366 /nfs/dbraw/zinc/17/83/66/323178366.db2.gz SKBBQGMGLYCSOD-NDBYEHHHSA-N 2 0 210.365 2.153 10 0 BEAERP CCC1([NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000536955410 323965295 /nfs/dbraw/zinc/96/52/95/323965295.db2.gz SNCRGINDBAJOKR-CHWSQXEVSA-N 2 0 224.392 2.497 10 0 BEAERP COC[C@@H](C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000133060597 325264083 /nfs/dbraw/zinc/26/40/83/325264083.db2.gz YWCIIBJJNZHWAI-KBPBESRZSA-N 2 0 242.407 2.075 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000567579839 326222015 /nfs/dbraw/zinc/22/20/15/326222015.db2.gz KLNKPRACJOQONU-SDDRHHMPSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH3+])CNc1cc[nH+]c2cc(F)ccc12 ZINC000257757089 488087884 /nfs/dbraw/zinc/08/78/84/488087884.db2.gz QSAYAKCFXHMLRK-QMMMGPOBSA-N 2 0 219.263 2.133 10 0 BEAERP CC(C)(C[NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000258970421 488144509 /nfs/dbraw/zinc/14/45/09/488144509.db2.gz TXFZLFFAQXWIAY-CYBMUJFWSA-N 2 0 232.371 2.163 10 0 BEAERP C[NH+](C)CC[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041247965 490175832 /nfs/dbraw/zinc/17/58/32/490175832.db2.gz AAZBJHANSZZHKF-NSHDSACASA-N 2 0 226.751 2.334 10 0 BEAERP C[C@H]1CC[C@@H](c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000757220306 582562439 /nfs/dbraw/zinc/56/24/39/582562439.db2.gz YKYRMXSEQWHUIR-GXFFZTMASA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000400320090 533919058 /nfs/dbraw/zinc/91/90/58/533919058.db2.gz BITJQSSRYSVRQR-ONGXEEELSA-N 2 0 240.297 2.052 10 0 BEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CCC)[C@@H](C)C1 ZINC000219749778 520597595 /nfs/dbraw/zinc/59/75/95/520597595.db2.gz ULJGBSOQGOMUMG-QWHCGFSZSA-N 2 0 212.381 2.497 10 0 BEAERP CC(C)C(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400406972 527572601 /nfs/dbraw/zinc/57/26/01/527572601.db2.gz RXKLTUFGWJXHTC-NEPJUHHUSA-N 2 0 212.381 2.256 10 0 BEAERP CC[C@@H](C)[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266280 535565704 /nfs/dbraw/zinc/56/57/04/535565704.db2.gz LWRIRYTYTNUYQO-CYBMUJFWSA-N 2 0 247.386 2.066 10 0 BEAERP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757126505 582500721 /nfs/dbraw/zinc/50/07/21/582500721.db2.gz FYQUXPWBMFWGDT-MROQNXINSA-N 2 0 208.349 2.001 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757128041 582503594 /nfs/dbraw/zinc/50/35/94/582503594.db2.gz IOIBDOYHUDMPHC-WCQYABFASA-N 2 0 208.349 2.003 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757133861 582510258 /nfs/dbraw/zinc/51/02/58/582510258.db2.gz VJGNNYWCYIUNKB-YNEHKIRRSA-N 2 0 210.365 2.391 10 0 BEAERP CC[NH+]1CCC2(CC1)[NH2+]CCC(CC)(CC)O2 ZINC000757148568 582533250 /nfs/dbraw/zinc/53/32/50/582533250.db2.gz VAPMSIUWUKONKL-UHFFFAOYSA-N 2 0 240.391 2.367 10 0 BEAERP CC1(c2ccc([C@@H]3C[NH2+]C[C@H](C[NH3+])C3)cc2)CC1 ZINC000757218587 582561396 /nfs/dbraw/zinc/56/13/96/582561396.db2.gz VASWUXZNPHQZIH-JSGCOSHPSA-N 2 0 244.382 2.390 10 0 BEAERP C[C@@H]1CC[C@@H](c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000757220308 582563838 /nfs/dbraw/zinc/56/38/38/582563838.db2.gz YKYRMXSEQWHUIR-ZWNOBZJWSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]1C[C@@]2(CCN1C)[NH2+]CCc1sccc12 ZINC000397268322 583099696 /nfs/dbraw/zinc/09/96/96/583099696.db2.gz CFHKSBXMPGRABL-GXFFZTMASA-N 2 0 236.384 2.203 10 0 BEAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757126655 586426213 /nfs/dbraw/zinc/42/62/13/586426213.db2.gz GGLPYBCRSVCGPH-GXTWGEPZSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@@H]1[NH2+]CCC[C@@H]1c1cccc(C[NH3+])c1 ZINC000757208442 586437981 /nfs/dbraw/zinc/43/79/81/586437981.db2.gz CTCLSMKDQPZGJL-GWCFXTLKSA-N 2 0 204.317 2.001 10 0 BEAERP CC1(c2ccc([C@@H]3C[NH2+]CC[C@@H]3[NH3+])cc2)CC1 ZINC000757211802 586438860 /nfs/dbraw/zinc/43/88/60/586438860.db2.gz IUGJZYGCLDZVDV-KBPBESRZSA-N 2 0 230.355 2.142 10 0 BEAERP C[C@H]1CCC[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757211756 586438902 /nfs/dbraw/zinc/43/89/02/586438902.db2.gz ITWIEAVZCINGCT-GWCFXTLKSA-N 2 0 204.317 2.348 10 0 BEAERP C[C@H]1C[C@H](c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000757214946 586440216 /nfs/dbraw/zinc/44/02/16/586440216.db2.gz MWISOVYHKMMREC-GXFFZTMASA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccccc2)[NH2+]1 ZINC000757217393 586441513 /nfs/dbraw/zinc/44/15/13/586441513.db2.gz RTWUVJCFIAWECV-KGYLQXTDSA-N 2 0 204.317 2.075 10 0 BEAERP CC(=O)c1cccc([C@H]2CC[C@@H](CC[NH3+])C[NH2+]2)c1 ZINC000757217352 586441667 /nfs/dbraw/zinc/44/16/67/586441667.db2.gz RRNBYVOAYBYLNE-SWLSCSKDSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@H]1CC[C@H](c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000757220876 586442802 /nfs/dbraw/zinc/44/28/02/586442802.db2.gz ZYXYJPJVGHYGTL-GWCFXTLKSA-N 2 0 204.317 2.001 10 0 BEAERP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128250861 590951359 /nfs/dbraw/zinc/95/13/59/590951359.db2.gz ZOYKUHONFDUCMS-QWHCGFSZSA-N 2 0 242.432 2.204 10 0 BEAERP C[C@@H](C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000062079010 631647388 /nfs/dbraw/zinc/64/73/88/631647388.db2.gz JRWFQDPMHWKQJJ-QWHCGFSZSA-N 2 0 242.432 2.204 10 0 BEAERP Cc1cc(NCCCCCC[NH3+])cc[nH+]1 ZINC000235771323 632827483 /nfs/dbraw/zinc/82/74/83/632827483.db2.gz XMXNMIZUAGHFCH-UHFFFAOYSA-N 2 0 207.321 2.321 10 0 BEAERP Cc1c[nH+]ccc1NCCCCCC[NH3+] ZINC000235824374 632834619 /nfs/dbraw/zinc/83/46/19/632834619.db2.gz PZJJIACDGAEAMO-UHFFFAOYSA-N 2 0 207.321 2.321 10 0 BEAERP CC1CCC(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000309447620 633921517 /nfs/dbraw/zinc/92/15/17/633921517.db2.gz NJYHOOIQNCDLJG-JXQTWKCFSA-N 2 0 224.392 2.483 10 0 BEAERP CC(C)N(C)CC[NH2+]CCc1ccccc1 ZINC000054110747 635388670 /nfs/dbraw/zinc/38/86/70/635388670.db2.gz DKEPUSWGLPPPNX-UHFFFAOYSA-N 2 0 220.360 2.159 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000111273267 637097764 /nfs/dbraw/zinc/09/77/64/637097764.db2.gz XEIUGVPENOUVEM-YPMHNXCESA-N 2 0 236.334 2.113 10 0 BEAERP [NH3+]CCCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428105 638322762 /nfs/dbraw/zinc/32/27/62/638322762.db2.gz YGCAONZUDUNKKN-KBPBESRZSA-N 2 0 240.391 2.149 10 0 BEAERP C[C@H](Cc1ccco1)[NH2+]C1CCC([NH3+])CC1 ZINC000062772120 641088589 /nfs/dbraw/zinc/08/85/89/641088589.db2.gz DRWFSIIKTXMHEJ-VOMCLLRMSA-N 2 0 222.332 2.070 10 0 BEAERP [NH3+]C1(C[NH2+][C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000088052039 641280735 /nfs/dbraw/zinc/28/07/35/641280735.db2.gz ZSKWSVGOEYMLHW-OLZOCXBDSA-N 2 0 216.328 2.014 10 0 BEAERP Cc1scc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1C ZINC000400395421 642515256 /nfs/dbraw/zinc/51/52/56/642515256.db2.gz JIABDMDIABWVLA-ZYHUDNBSSA-N 2 0 238.400 2.453 10 0 BEAERP CCC[C@H]1C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000233397947 642667534 /nfs/dbraw/zinc/66/75/34/642667534.db2.gz PYUTVAQMSOHJDY-QWHCGFSZSA-N 2 0 210.365 2.106 10 0 BEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757143528 643307626 /nfs/dbraw/zinc/30/76/26/643307626.db2.gz DKBZDQAKTPIAKN-UHFFFAOYSA-N 2 0 240.391 2.223 10 0 BEAERP C[C@H]([NH3+])CN(C)c1cc[nH+]c2ccccc21 ZINC000082592559 643350626 /nfs/dbraw/zinc/35/06/26/643350626.db2.gz JDJBKWCFURURBE-JTQLQIEISA-N 2 0 215.300 2.018 10 0 BEAERP Cc1cccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000074204362 643653985 /nfs/dbraw/zinc/65/39/85/643653985.db2.gz LVJRACXGEULFOF-STQMWFEESA-N 2 0 204.317 2.089 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@H]2C ZINC000685952965 644518932 /nfs/dbraw/zinc/51/89/32/644518932.db2.gz DLXASSDQAPWPNV-AGIUHOORSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000251925997 644830602 /nfs/dbraw/zinc/83/06/02/644830602.db2.gz YIRKCKKSGODIAD-UQOMUDLDSA-N 2 0 230.355 2.212 10 0 BEAERP CC1(C)C[C@@]1(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000701984826 712034376 /nfs/dbraw/zinc/03/43/76/712034376.db2.gz KGFBHQGEMGDADL-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP C=C/C=C\CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000713735657 712470748 /nfs/dbraw/zinc/47/07/48/712470748.db2.gz PVWRQKWSDKOBDA-ZFDPJTLLSA-N 2 0 208.349 2.193 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@@H]2C)CC1 ZINC000714754357 712497624 /nfs/dbraw/zinc/49/76/24/712497624.db2.gz SBQSRSLCYURQSQ-RYUDHWBXSA-N 2 0 210.365 2.378 10 0 BEAERP C([NH2+]C1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716052031 712548646 /nfs/dbraw/zinc/54/86/46/712548646.db2.gz PUXREJUGSYJEDY-VGPLMAKISA-N 2 0 240.416 2.002 10 0 BEAERP C(CCC1CC1)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000716413055 712559302 /nfs/dbraw/zinc/55/93/02/712559302.db2.gz LUJOVUBPFQLZNG-CYBMUJFWSA-N 2 0 210.365 2.298 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485304 712650724 /nfs/dbraw/zinc/65/07/24/712650724.db2.gz BXPNRSGGPVBGPE-QWHCGFSZSA-N 2 0 224.392 2.497 10 0 BEAERP CC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC(F)(F)C1 ZINC000720911734 712877433 /nfs/dbraw/zinc/87/74/33/712877433.db2.gz LVONBEMWHXQOSF-JTQLQIEISA-N 2 0 232.318 2.154 10 0 BEAERP C(C[NH2+]C1CC1)C[NH+]1CCCCCCC1 ZINC000037478540 711467104 /nfs/dbraw/zinc/46/71/04/711467104.db2.gz WCMOUSVKZZHLGL-UHFFFAOYSA-N 2 0 210.365 2.395 10 0 BEAERP CC(C)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709867366 712230197 /nfs/dbraw/zinc/23/01/97/712230197.db2.gz JCTKZZCBSQGKTR-OLZOCXBDSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000712470464 712430769 /nfs/dbraw/zinc/43/07/69/712430769.db2.gz BUPNBQMFQQWBKC-PDWCTOEPSA-N 2 0 222.376 2.153 10 0 BEAERP COCC1CC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000713977283 712475381 /nfs/dbraw/zinc/47/53/81/712475381.db2.gz DQFZVAIOJKQHCB-RLNQVHQUSA-N 2 0 246.354 2.146 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H](C)CC2CC2)CC1 ZINC000714753295 712497277 /nfs/dbraw/zinc/49/72/77/712497277.db2.gz JRLFLCVJJOJKAA-LLVKDONJSA-N 2 0 210.365 2.378 10 0 BEAERP CCC1([NH3+])CC[NH+](C2CCSCC2)CC1 ZINC000714752952 712497283 /nfs/dbraw/zinc/49/72/83/712497283.db2.gz FWTVSHIDJRWHFY-UHFFFAOYSA-N 2 0 228.405 2.085 10 0 BEAERP CC[C@H]([C@@H]1CCOC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754525 712497925 /nfs/dbraw/zinc/49/79/25/712497925.db2.gz VWCFNDRUHWBHRL-CHWSQXEVSA-N 2 0 240.391 2.005 10 0 BEAERP C[C@H]1C[C@H]([NH2+]CC2CC([NH3+])C2)C[C@@H](C)C1 ZINC000719376288 712807153 /nfs/dbraw/zinc/80/71/53/712807153.db2.gz GHVQZSADHVUGSC-HKLPJWPXSA-N 2 0 210.365 2.138 10 0 BEAERP CC(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000685954805 538899817 /nfs/dbraw/zinc/89/98/17/538899817.db2.gz PLUUBFXHUIVQET-CPCZMJQVSA-N 2 0 210.365 2.234 10 0 BEAERP CC(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C ZINC000685954810 538900176 /nfs/dbraw/zinc/90/01/76/538900176.db2.gz PLUUBFXHUIVQET-OTTFEQOBSA-N 2 0 210.365 2.234 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@H]2C ZINC000685952779 538896795 /nfs/dbraw/zinc/89/67/95/538896795.db2.gz CUAIQZBKRPFHCF-FRRDWIJNSA-N 2 0 210.365 2.377 10 0 BEAERP Cc1[nH+]ccc(N[C@H](C)C[C@H](C)[NH3+])c1Cl ZINC000379810877 398169561 /nfs/dbraw/zinc/16/95/61/398169561.db2.gz AEPHLPSTBXDPLD-JGVFFNPUSA-N 2 0 227.739 2.003 10 0 BEAERP C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000042437128 398172431 /nfs/dbraw/zinc/17/24/31/398172431.db2.gz NYUXHEWHGVFCSV-CYBMUJFWSA-N 2 0 236.334 2.257 10 0 BEAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000572868625 398203628 /nfs/dbraw/zinc/20/36/28/398203628.db2.gz UTZLIVYNSMQAFR-KOLCDFICSA-N 2 0 232.318 2.009 10 0 BEAERP Cc1cc([C@H](CC[NH3+])C[NH+](C)C)c(C)n1C1CC1 ZINC000076653817 178261596 /nfs/dbraw/zinc/26/15/96/178261596.db2.gz AITHRVOBXAPDSX-CYBMUJFWSA-N 2 0 249.402 2.434 10 0 BEAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590220 398254290 /nfs/dbraw/zinc/25/42/90/398254290.db2.gz DIRSECRDHRRGFI-UTUOFQBUSA-N 2 0 246.345 2.481 10 0 BEAERP CCC(CC)[N@H+](CCCCC(N)=[NH2+])CCOC ZINC000042679993 168373243 /nfs/dbraw/zinc/37/32/43/168373243.db2.gz UTNRAEWDMKCGJJ-UHFFFAOYSA-N 2 0 243.395 2.230 10 0 BEAERP CCC(CC)[N@H+](CCOC)CC1([NH3+])CCCC1 ZINC000042681726 168373562 /nfs/dbraw/zinc/37/35/62/168373562.db2.gz JACCCZVSPHPWGL-UHFFFAOYSA-N 2 0 242.407 2.395 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381623640 398267346 /nfs/dbraw/zinc/26/73/46/398267346.db2.gz SUDJKLNVDHTOSJ-UTUOFQBUSA-N 2 0 246.345 2.481 10 0 BEAERP CCC(CC)[C@@H](C[NH3+])N(C)Cc1ccncc1 ZINC000036775618 168399675 /nfs/dbraw/zinc/39/96/75/168399675.db2.gz MSOFGRLEBUJMGX-CQSZACIVSA-N 2 0 235.375 2.277 10 0 BEAERP CCN1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381653822 539005680 /nfs/dbraw/zinc/00/56/80/539005680.db2.gz DSKKRPIVPSKRDM-HSOILSAZSA-N 2 0 232.318 2.104 10 0 BEAERP CCC[C@H](C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000132506994 398305624 /nfs/dbraw/zinc/30/56/24/398305624.db2.gz XXZBUSFFINEQTL-RWMBFGLXSA-N 2 0 210.365 2.106 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000167 398335722 /nfs/dbraw/zinc/33/57/22/398335722.db2.gz XHWZSUKNMZALAZ-OLZOCXBDSA-N 2 0 210.365 2.106 10 0 BEAERP CC[C@H]([NH2+]CCC[NH3+])c1ccc(C)cc1 ZINC000037713320 342943340 /nfs/dbraw/zinc/94/33/40/342943340.db2.gz UNMYMZQYWGHHJH-ZDUSSCGKSA-N 2 0 206.333 2.385 10 0 BEAERP CCc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400765506 529656773 /nfs/dbraw/zinc/65/67/73/529656773.db2.gz ZCTUKFAUXRWUQC-MNOVXSKESA-N 2 0 238.400 2.398 10 0 BEAERP CC[NH+](CC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000128521939 343174851 /nfs/dbraw/zinc/17/48/51/343174851.db2.gz MUAWCRAYHIWZPX-UHFFFAOYSA-N 2 0 218.344 2.174 10 0 BEAERP C[C@@H]([NH2+]CCCCC[NH3+])c1ccccc1 ZINC000238384339 343255520 /nfs/dbraw/zinc/25/55/20/343255520.db2.gz DUCDZOYSBMAMGG-GFCCVEGCSA-N 2 0 206.333 2.466 10 0 BEAERP COc1ccc([C@H](CCC[NH3+])[NH+](C)C)cc1C ZINC000019673878 187252700 /nfs/dbraw/zinc/25/27/00/187252700.db2.gz QZUFPYHCOACSGE-ZDUSSCGKSA-N 2 0 236.359 2.345 10 0 BEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCCC1 ZINC000043114963 343463679 /nfs/dbraw/zinc/46/36/79/343463679.db2.gz MKAZJKMXJKZHBH-ONGXEEELSA-N 2 0 210.346 2.232 10 0 BEAERP C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000049708928 187269861 /nfs/dbraw/zinc/26/98/61/187269861.db2.gz FHUNNPVHACDHSH-UKRRQHHQSA-N 2 0 232.371 2.301 10 0 BEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCC[NH2+]C1CC1 ZINC000037478527 537819911 /nfs/dbraw/zinc/81/99/11/537819911.db2.gz XBYIFMKFUHTDTK-TXEJJXNPSA-N 2 0 210.365 2.391 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215031862 344415590 /nfs/dbraw/zinc/41/55/90/344415590.db2.gz SBMNZDBVNSNVFX-MRVPVSSYSA-N 2 0 230.714 2.479 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000403384930 344654789 /nfs/dbraw/zinc/65/47/89/344654789.db2.gz GEIJVEPNXVVXJU-MRTXSQPYSA-N 2 0 222.376 2.010 10 0 BEAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128095368 192076158 /nfs/dbraw/zinc/07/61/58/192076158.db2.gz AXCTWBUTLBZZFT-JHJVBQTASA-N 2 0 240.416 2.098 10 0 BEAERP C[C@@H](c1ccc[nH]1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000248086865 345035584 /nfs/dbraw/zinc/03/55/84/345035584.db2.gz STGUCIUDWFWLNH-RYUDHWBXSA-N 2 0 221.348 2.007 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998708 345198217 /nfs/dbraw/zinc/19/82/17/345198217.db2.gz JNKPVLKOTDWMFG-KOLCDFICSA-N 2 0 224.373 2.083 10 0 BEAERP CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000635000502 345202080 /nfs/dbraw/zinc/20/20/80/345202080.db2.gz PSMVAUYCAWYXCW-JSGCOSHPSA-N 2 0 248.370 2.112 10 0 BEAERP CCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000635019660 345222605 /nfs/dbraw/zinc/22/26/05/345222605.db2.gz JDJCXJYRYHPLRT-VXGBXAGGSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000134882729 345424529 /nfs/dbraw/zinc/42/45/29/345424529.db2.gz LHHNIGNUTDOLGM-MQYQWHSLSA-N 2 0 224.392 2.495 10 0 BEAERP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335631534 345431177 /nfs/dbraw/zinc/43/11/77/345431177.db2.gz BEOIJCXEAIMFEX-NSHDSACASA-N 2 0 210.365 2.154 10 0 BEAERP Cc1cccc(NCCC[NH2+]C(C)C)[nH+]1 ZINC000562829911 345510476 /nfs/dbraw/zinc/51/04/76/345510476.db2.gz CELJDKVDIQXWNS-UHFFFAOYSA-N 2 0 207.321 2.190 10 0 BEAERP CC(F)(F)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390243782 259383401 /nfs/dbraw/zinc/38/34/01/259383401.db2.gz PMRPGIJVVYIYBK-JTQLQIEISA-N 2 0 220.307 2.154 10 0 BEAERP C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803577 346391709 /nfs/dbraw/zinc/39/17/09/346391709.db2.gz HVZGKJDOAKYJOV-ZIAGYGMSSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@@H]1C[N@@H+]([C@H]2CCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000393823504 259393918 /nfs/dbraw/zinc/39/39/18/259393918.db2.gz KYSCAUHUBSMUGX-MBNYWOFBSA-N 2 0 224.392 2.482 10 0 BEAERP CC[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cccs1 ZINC000250346043 362799596 /nfs/dbraw/zinc/79/95/96/362799596.db2.gz QLFKYTPQXNLPEE-KOLCDFICSA-N 2 0 210.346 2.090 10 0 BEAERP CC[N@H+](C)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669380339 537988349 /nfs/dbraw/zinc/98/83/49/537988349.db2.gz XLTAVPOGHKIQBF-UHFFFAOYSA-N 2 0 212.724 2.250 10 0 BEAERP Cc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH3+] ZINC000037713835 179220674 /nfs/dbraw/zinc/22/06/74/179220674.db2.gz BWBPPLQLMTXHFH-ZDUSSCGKSA-N 2 0 234.343 2.147 10 0 BEAERP CCSC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000596653575 348606854 /nfs/dbraw/zinc/60/68/54/348606854.db2.gz VOSXRSJQASIYTD-VXGBXAGGSA-N 2 0 242.432 2.250 10 0 BEAERP Cc1c[nH+]ccc1N[C@H](C)CCCC[NH3+] ZINC000308944845 179712928 /nfs/dbraw/zinc/71/29/28/179712928.db2.gz VYDOOFFECCEZHK-LLVKDONJSA-N 2 0 207.321 2.319 10 0 BEAERP Cc1[nH+]ccc(NC[C@H]([NH3+])C(C)C)c1Cl ZINC000308869177 180200973 /nfs/dbraw/zinc/20/09/73/180200973.db2.gz RSNSODFKBZLZRW-VIFPVBQESA-N 2 0 227.739 2.439 10 0 BEAERP Cc1ncsc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000051694428 180327306 /nfs/dbraw/zinc/32/73/06/180327306.db2.gz BFZUFGAYRPKMOT-KPPDAEKUSA-N 2 0 239.388 2.372 10 0 BEAERP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000251784282 350903112 /nfs/dbraw/zinc/90/31/12/350903112.db2.gz WZRSRFWWZLMNQM-SOUVJXGZSA-N 2 0 230.355 2.116 10 0 BEAERP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616678320 351246294 /nfs/dbraw/zinc/24/62/94/351246294.db2.gz GIOYSSNYRSUWTG-AWEZNQCLSA-N 2 0 218.344 2.343 10 0 BEAERP CC(C)C[N@H+](C)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270771 538102448 /nfs/dbraw/zinc/10/24/48/538102448.db2.gz SHYHTMUFBYEJRJ-CPCZMJQVSA-N 2 0 210.365 2.234 10 0 BEAERP [NH3+][C@@H]1CC12CCC([NH+]1CCCCC1)CC2 ZINC000725270929 538103150 /nfs/dbraw/zinc/10/31/50/538103150.db2.gz UOWJLOMPFAGQQE-OTTFEQOBSA-N 2 0 208.349 2.132 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000307129253 353056651 /nfs/dbraw/zinc/05/66/51/353056651.db2.gz XXAHEALOEZNDEA-QMMMGPOBSA-N 2 0 219.115 2.342 10 0 BEAERP C[C@H]([NH3+])c1ccccc1OCCC[NH+](C)C ZINC000040240371 188291298 /nfs/dbraw/zinc/29/12/98/188291298.db2.gz QKIBRFKQTYCSCT-NSHDSACASA-N 2 0 222.332 2.037 10 0 BEAERP COCC[N@H+](CC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000042369465 188293979 /nfs/dbraw/zinc/29/39/79/188293979.db2.gz AKADMORIGVZIPR-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC000049708930 188298324 /nfs/dbraw/zinc/29/83/24/188298324.db2.gz FHUNNPVHACDHSH-DZGCQCFKSA-N 2 0 232.371 2.301 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532262 353796473 /nfs/dbraw/zinc/79/64/73/353796473.db2.gz YMGDCRMGDSALPQ-KBPBESRZSA-N 2 0 230.355 2.388 10 0 BEAERP C[Si](C)(CCC[NH3+])[N@@H+]1CCC[Si]1(C)C ZINC000196013614 356455813 /nfs/dbraw/zinc/45/58/13/356455813.db2.gz IELVEAVYQVBGNX-UHFFFAOYSA-N 2 0 230.504 2.451 10 0 BEAERP CCC[NH+](CCC)Cc1csc(C[NH3+])n1 ZINC000052416796 538470555 /nfs/dbraw/zinc/47/05/55/538470555.db2.gz ZZTRSBUAHQWJON-UHFFFAOYSA-N 2 0 227.377 2.224 10 0 BEAERP CC(C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050921 538473361 /nfs/dbraw/zinc/47/33/61/538473361.db2.gz ALZNMCSUTJWXQE-ZIAGYGMSSA-N 2 0 224.392 2.400 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(C)c1 ZINC000675055566 538475650 /nfs/dbraw/zinc/47/56/50/538475650.db2.gz VEKJNMBFSFMXOD-KGLIPLIRSA-N 2 0 218.344 2.479 10 0 BEAERP CC(C)[NH+]1CCC([C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059762 538484938 /nfs/dbraw/zinc/48/49/38/538484938.db2.gz LIRZKQKJGPKHJO-JSGCOSHPSA-N 2 0 224.392 2.352 10 0 BEAERP [NH3+]C[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000675061129 538487286 /nfs/dbraw/zinc/48/72/86/538487286.db2.gz YHPAGVSVNBAPRL-KKUMJFAQSA-N 2 0 230.355 2.103 10 0 BEAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423113005 192572582 /nfs/dbraw/zinc/57/25/82/192572582.db2.gz YADPOBAMIAMDTQ-YIYPIFLZSA-N 2 0 242.407 2.297 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675070228 538499871 /nfs/dbraw/zinc/49/98/71/538499871.db2.gz SHDGWZLHRKNHAH-STQMWFEESA-N 2 0 236.403 2.497 10 0 BEAERP CCC[N@H+](CC)C1CC2(C1)CC[NH2+]CC2 ZINC000675070122 538500270 /nfs/dbraw/zinc/50/02/70/538500270.db2.gz PUHUVSPZRGAJGM-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000257778254 538754811 /nfs/dbraw/zinc/75/48/11/538754811.db2.gz NKSXNHXXILHMCP-CRWXNKLISA-N 2 0 224.392 2.482 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583687501 357120233 /nfs/dbraw/zinc/12/02/33/357120233.db2.gz ICQYNDGHBDGNOV-YNEHKIRRSA-N 2 0 244.448 2.496 10 0 BEAERP C[C@@H]1CCC[C@@H](C2CCC3(C[C@@H]3[NH3+])CC2)[NH2+]1 ZINC000685950509 538894082 /nfs/dbraw/zinc/89/40/82/538894082.db2.gz RXLBHCQWOJXNQG-RNVCYNIRSA-N 2 0 222.376 2.425 10 0 BEAERP CCC[NH+](CCC)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951744 538895235 /nfs/dbraw/zinc/89/52/35/538895235.db2.gz XDLYRNYKXPXRDD-ITGUQSILSA-N 2 0 212.381 2.352 10 0 BEAERP CC[C@@H]1CCCC[N@@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951684 538895473 /nfs/dbraw/zinc/89/54/73/538895473.db2.gz VNKPZUHMUAAWMQ-RWMBFGLXSA-N 2 0 224.392 2.495 10 0 BEAERP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1C ZINC000192643199 357841761 /nfs/dbraw/zinc/84/17/61/357841761.db2.gz WCHPCGBSFHWQQN-ZDUSSCGKSA-N 2 0 233.359 2.311 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400435480 259476966 /nfs/dbraw/zinc/47/69/66/259476966.db2.gz LAZCPJXNBWJXEE-XQHKEYJVSA-N 2 0 210.365 2.010 10 0 BEAERP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[NH3+] ZINC000037713814 358092892 /nfs/dbraw/zinc/09/28/92/358092892.db2.gz LUYMLPUYDWSFEM-NSHDSACASA-N 2 0 222.332 2.003 10 0 BEAERP CC(C)=CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584774313 358174673 /nfs/dbraw/zinc/17/46/73/358174673.db2.gz MXABFGWQYFWBQW-QWHCGFSZSA-N 2 0 210.365 2.320 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000584774180 358175111 /nfs/dbraw/zinc/17/51/11/358175111.db2.gz BOCWYSCPWRQOHD-RWMBFGLXSA-N 2 0 222.376 2.297 10 0 BEAERP [NH2+]=C1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584625999 358295196 /nfs/dbraw/zinc/29/51/96/358295196.db2.gz BQSWFMZMKVJPIH-ZDUSSCGKSA-N 2 0 200.285 2.399 10 0 BEAERP CC[NH2+]CCCCC1CC[NH+](CC)CC1 ZINC000584636416 358321162 /nfs/dbraw/zinc/32/11/62/358321162.db2.gz COPVDIADQOIOGZ-UHFFFAOYSA-N 2 0 212.381 2.498 10 0 BEAERP [NH3+][C@H]1CC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C1 ZINC000584640337 358326079 /nfs/dbraw/zinc/32/60/79/358326079.db2.gz PEVYYZGNGQVRLN-UBHSHLNASA-N 2 0 234.318 2.105 10 0 BEAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423308060 192696043 /nfs/dbraw/zinc/69/60/43/192696043.db2.gz XGKTYCKNCIMQRM-OLZOCXBDSA-N 2 0 224.392 2.400 10 0 BEAERP CCC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400492596 358965270 /nfs/dbraw/zinc/96/52/70/358965270.db2.gz ZVEDUZYXVXFNOL-VXGBXAGGSA-N 2 0 210.365 2.154 10 0 BEAERP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000309044802 491143325 /nfs/dbraw/zinc/14/33/25/491143325.db2.gz NTFHGRDLZUIELD-DMDPSCGWSA-N 2 0 210.365 2.105 10 0 BEAERP CC(C)(C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604585 360262670 /nfs/dbraw/zinc/26/26/70/360262670.db2.gz DONPZKFWCABRAB-ZDUSSCGKSA-N 2 0 224.392 2.450 10 0 BEAERP Cc1ccc([C@H]([NH3+])CC[NH3+])c(Br)c1 ZINC000306584557 360482693 /nfs/dbraw/zinc/48/26/93/360482693.db2.gz QFKRBKLBAUCRJJ-SNVBAGLBSA-N 2 0 243.148 2.106 10 0 BEAERP C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069796338 360557104 /nfs/dbraw/zinc/55/71/04/360557104.db2.gz DGYQZTOEKOLBBM-GXSJLCMTSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000622044088 370676043 /nfs/dbraw/zinc/67/60/43/370676043.db2.gz UMYWQASWHVYMRA-AXFHLTTASA-N 2 0 232.318 2.009 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000051693128 181341701 /nfs/dbraw/zinc/34/17/01/181341701.db2.gz AWCPUCFILXQBND-HIFPTAJRSA-N 2 0 208.349 2.202 10 0 BEAERP Cc1cc(C)cc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000074081413 541312636 /nfs/dbraw/zinc/31/26/36/541312636.db2.gz IOSQOEUPJUENIE-KGLIPLIRSA-N 2 0 218.344 2.397 10 0 BEAERP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1C ZINC000074081388 541313099 /nfs/dbraw/zinc/31/30/99/541313099.db2.gz YYSUSENLHFYVJK-ZIAGYGMSSA-N 2 0 218.344 2.397 10 0 BEAERP [NH3+]CCCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000049580716 181374922 /nfs/dbraw/zinc/37/49/22/181374922.db2.gz WWJAKBXNIFEWTN-AWEZNQCLSA-N 2 0 233.359 2.348 10 0 BEAERP [NH3+]CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809587 181376549 /nfs/dbraw/zinc/37/65/49/181376549.db2.gz ABKZHWMVHLQCIZ-QWHCGFSZSA-N 2 0 210.365 2.237 10 0 BEAERP CC(C)OCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575172840 365226920 /nfs/dbraw/zinc/22/69/20/365226920.db2.gz LPQZRSNQVUXYGO-KGLIPLIRSA-N 2 0 242.407 2.169 10 0 BEAERP CC(C)OCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000575172839 365227509 /nfs/dbraw/zinc/22/75/09/365227509.db2.gz LPQZRSNQVUXYGO-KBPBESRZSA-N 2 0 242.407 2.169 10 0 BEAERP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2ccccc21 ZINC000385175030 367804921 /nfs/dbraw/zinc/80/49/21/367804921.db2.gz GVSNNOBNBMVJQS-QWRGUYRKSA-N 2 0 227.311 2.161 10 0 BEAERP [NH3+][C@H]1CCOc2c(C[NH+]3CCCCC3)cccc21 ZINC000168847641 368352336 /nfs/dbraw/zinc/35/23/36/368352336.db2.gz AZXFGXXDRMGEFB-AWEZNQCLSA-N 2 0 246.354 2.455 10 0 BEAERP CCc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839062 369124665 /nfs/dbraw/zinc/12/46/65/369124665.db2.gz ZJCXDUNNDPNVOU-WFASDCNBSA-N 2 0 232.371 2.276 10 0 BEAERP C[C@@H]([NH3+])c1cccc(C[NH+]2CCCC2)c1 ZINC000108271900 369385316 /nfs/dbraw/zinc/38/53/16/369385316.db2.gz IHQMLFHNYFKPRF-LLVKDONJSA-N 2 0 204.317 2.302 10 0 BEAERP CC1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000205697253 369998016 /nfs/dbraw/zinc/99/80/16/369998016.db2.gz YABJOWCDCJBOOW-UHFFFAOYSA-N 2 0 218.344 2.247 10 0 BEAERP [NH3+][C@H]1CCC[C@H](C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000035567099 181646110 /nfs/dbraw/zinc/64/61/10/181646110.db2.gz ZZYZUFNSKAIYCJ-RNJOBUHISA-N 2 0 210.365 2.412 10 0 BEAERP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631837828 372630171 /nfs/dbraw/zinc/63/01/71/372630171.db2.gz FYGCXUVPJRURON-NEPJUHHUSA-N 2 0 212.381 2.339 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631840135 372635881 /nfs/dbraw/zinc/63/58/81/372635881.db2.gz PWIAYWFXDQKFHQ-OBJOEFQTSA-N 2 0 248.370 2.283 10 0 BEAERP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843058 372640646 /nfs/dbraw/zinc/64/06/46/372640646.db2.gz IYTBBTLFGLFRGA-DYEKYZERSA-N 2 0 218.344 2.274 10 0 BEAERP Cc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842690 372641397 /nfs/dbraw/zinc/64/13/97/372641397.db2.gz DNOHWCIEPPAUDF-OCCSQVGLSA-N 2 0 218.344 2.022 10 0 BEAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844385 372643554 /nfs/dbraw/zinc/64/35/54/372643554.db2.gz WZUUEYUNOOBRKB-OCCSQVGLSA-N 2 0 248.370 2.030 10 0 BEAERP c1ccc(C[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000040409867 373241225 /nfs/dbraw/zinc/24/12/25/373241225.db2.gz QWVWDQQJAPYIJZ-UHFFFAOYSA-N 2 0 218.344 2.166 10 0 BEAERP CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069797152 373807747 /nfs/dbraw/zinc/80/77/47/373807747.db2.gz NELRLMCURWMTCL-GXSJLCMTSA-N 2 0 210.346 2.090 10 0 BEAERP CC[NH2+]Cc1sccc1C[NH+]1CCCC1 ZINC000045205672 170132949 /nfs/dbraw/zinc/13/29/49/170132949.db2.gz YGKYFFUOZLNISI-UHFFFAOYSA-N 2 0 224.373 2.453 10 0 BEAERP CCC[N@H+](CC)[C@@H](CN)c1ccc(OC)cc1 ZINC000037094705 169131691 /nfs/dbraw/zinc/13/16/91/169131691.db2.gz YKXGOJIXZBXEOI-AWEZNQCLSA-N 2 0 236.359 2.427 10 0 BEAERP CCCN(CC[NH3+])c1cc[nH+]c2ccccc21 ZINC000104308436 169157232 /nfs/dbraw/zinc/15/72/32/169157232.db2.gz KXHXLVBDCDQCRK-UHFFFAOYSA-N 2 0 229.327 2.410 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073655916 169207332 /nfs/dbraw/zinc/20/73/32/169207332.db2.gz GZNAUWNOUKBLSM-QWHCGFSZSA-N 2 0 210.365 2.345 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654020 169207559 /nfs/dbraw/zinc/20/75/59/169207559.db2.gz LSFDYFLOEXRDQN-CHWSQXEVSA-N 2 0 210.365 2.203 10 0 BEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC(C)C)O1 ZINC000052452814 169262484 /nfs/dbraw/zinc/26/24/84/169262484.db2.gz LNPBERLHCJEFHU-UONOGXRCSA-N 2 0 242.407 2.121 10 0 BEAERP CCC[NH2+]C[C@](C)(CC)C[N@H+](CCO)C(C)C ZINC000051284715 169264409 /nfs/dbraw/zinc/26/44/09/169264409.db2.gz BUSNOVMDCMSXEV-AWEZNQCLSA-N 2 0 244.423 2.105 10 0 BEAERP c1ccc(CCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000128883357 183391626 /nfs/dbraw/zinc/39/16/26/183391626.db2.gz FGVJVWVNZNIZKP-HNNXBMFYSA-N 2 0 232.371 2.351 10 0 BEAERP CCC[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C ZINC000042355899 169269755 /nfs/dbraw/zinc/26/97/55/169269755.db2.gz SRYZKXRENDKJIS-UHFFFAOYSA-N 2 0 230.315 2.075 10 0 BEAERP CCC[NH2+][C@@H](C)CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000061916989 169274682 /nfs/dbraw/zinc/27/46/82/169274682.db2.gz BOJCPVRUSNBINX-UONOGXRCSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+][C@@H](C)c1csc(CC[NH+](C)C)n1 ZINC000076810804 169277335 /nfs/dbraw/zinc/27/73/35/169277335.db2.gz KMGNVPBOMGGGGK-JTQLQIEISA-N 2 0 241.404 2.308 10 0 BEAERP c1ccc(C[NH+]2C[C@@H]3CC[NH2+]CC[C@H]3C2)cc1 ZINC000083072560 183403201 /nfs/dbraw/zinc/40/32/01/183403201.db2.gz UVZLRLITANEWQD-GJZGRUSLSA-N 2 0 230.355 2.118 10 0 BEAERP CCCO[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000042425474 169310678 /nfs/dbraw/zinc/31/06/78/169310678.db2.gz BKACYBAQSDQLJC-CQSZACIVSA-N 2 0 242.407 2.397 10 0 BEAERP CCCO[C@H]1CCC[N@H+](C[C@@H](C)C[NH2+]CC)C1 ZINC000052371516 169312609 /nfs/dbraw/zinc/31/26/09/169312609.db2.gz IZYVLVVQXIHSTC-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C ZINC000049694127 169291588 /nfs/dbraw/zinc/29/15/88/169291588.db2.gz KRHZOUMILCWZEV-RYUDHWBXSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[C@@H]([NH3+])[C@H](CC)N(C)Cc1cccnc1 ZINC000036771086 169393158 /nfs/dbraw/zinc/39/31/58/169393158.db2.gz DKDKAAWNFCYONW-KGLIPLIRSA-N 2 0 235.375 2.419 10 0 BEAERP [NH3+]C[C@@H](Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000068591162 384001844 /nfs/dbraw/zinc/00/18/44/384001844.db2.gz OCTFQZCEZPAXSY-TZMCWYRMSA-N 2 0 236.334 2.085 10 0 BEAERP C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[NH2+]CC1 ZINC000302315795 384140904 /nfs/dbraw/zinc/14/09/04/384140904.db2.gz BSXGTXXWHUMIPC-NEPJUHHUSA-N 2 0 246.345 2.496 10 0 BEAERP CC(C)[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000247977943 384228935 /nfs/dbraw/zinc/22/89/35/384228935.db2.gz LRLRTSWPZXUMIZ-FRRDWIJNSA-N 2 0 212.381 2.349 10 0 BEAERP [NH3+]C[C@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000335581074 384342770 /nfs/dbraw/zinc/34/27/70/384342770.db2.gz MQDWTFHPOPOASL-RYUDHWBXSA-N 2 0 241.338 2.196 10 0 BEAERP [NH3+]C[C@@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000335581072 384343656 /nfs/dbraw/zinc/34/36/56/384343656.db2.gz MQDWTFHPOPOASL-NEPJUHHUSA-N 2 0 241.338 2.196 10 0 BEAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1 ZINC000037713250 384511106 /nfs/dbraw/zinc/51/11/06/384511106.db2.gz FLGBGQAROOBLDV-GFCCVEGCSA-N 2 0 210.296 2.215 10 0 BEAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(C)cc1 ZINC000037713321 384513591 /nfs/dbraw/zinc/51/35/91/384513591.db2.gz UNMYMZQYWGHHJH-CYBMUJFWSA-N 2 0 206.333 2.385 10 0 BEAERP C1[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591094 384519533 /nfs/dbraw/zinc/51/95/33/384519533.db2.gz KEEGRIMIBOKAII-VXGBXAGGSA-N 2 0 208.349 2.051 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@@H]1CCCN1CC ZINC000020091976 384574241 /nfs/dbraw/zinc/57/42/41/384574241.db2.gz VLHUPRHZIXLLKF-STQMWFEESA-N 2 0 212.381 2.497 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccccn1 ZINC000100256580 384628863 /nfs/dbraw/zinc/62/88/63/384628863.db2.gz LKAWIXXLVZSGCR-SDDRHHMPSA-N 2 0 219.332 2.002 10 0 BEAERP CCC[C@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000300369472 384704060 /nfs/dbraw/zinc/70/40/60/384704060.db2.gz RHCLBWFLCMCPKE-APYLGABCSA-N 2 0 222.376 2.390 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000300369474 384705091 /nfs/dbraw/zinc/70/50/91/384705091.db2.gz RHCLBWFLCMCPKE-RKFYDKJMSA-N 2 0 222.376 2.390 10 0 BEAERP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000335664889 384835862 /nfs/dbraw/zinc/83/58/62/384835862.db2.gz XMDDTJCIVAROGX-LLVKDONJSA-N 2 0 210.365 2.106 10 0 BEAERP CC[C@@H](C[NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293959 384893109 /nfs/dbraw/zinc/89/31/09/384893109.db2.gz NDDFXINAVDENOT-KGLIPLIRSA-N 2 0 232.371 2.379 10 0 BEAERP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000258906079 384943856 /nfs/dbraw/zinc/94/38/56/384943856.db2.gz MWAOOSCSAMJQAA-CYBMUJFWSA-N 2 0 218.344 2.003 10 0 BEAERP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309038128 385375541 /nfs/dbraw/zinc/37/55/41/385375541.db2.gz JITXRCLRLCOZFX-RYUDHWBXSA-N 2 0 216.344 2.056 10 0 BEAERP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)C[NH+](C)C ZINC000336733738 385644450 /nfs/dbraw/zinc/64/44/50/385644450.db2.gz GQXPWPNLKYKCOL-UPJWGTAASA-N 2 0 230.371 2.302 10 0 BEAERP FC1(F)CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335035646 385926060 /nfs/dbraw/zinc/92/60/60/385926060.db2.gz WYFMBSJGGAINBI-GHMZBOCLSA-N 2 0 232.318 2.296 10 0 BEAERP CCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000336752312 386015762 /nfs/dbraw/zinc/01/57/62/386015762.db2.gz GDTQARWGNHRFDB-STQMWFEESA-N 2 0 212.381 2.497 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]12 ZINC000310379391 386180516 /nfs/dbraw/zinc/18/05/16/386180516.db2.gz GOOYSOJBRVWXMT-WISYIIOYSA-N 2 0 244.329 2.091 10 0 BEAERP C[C@H]1CC(C[NH2+]C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000335498940 386625755 /nfs/dbraw/zinc/62/57/55/386625755.db2.gz ZGQXDFKGMLLHGF-BCVKRFQSSA-N 2 0 240.391 2.050 10 0 BEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000514660626 387049761 /nfs/dbraw/zinc/04/97/61/387049761.db2.gz YVYFAYPVOYARHI-UKRRQHHQSA-N 2 0 232.371 2.207 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc2cc[nH]c2c1 ZINC000575438635 387131039 /nfs/dbraw/zinc/13/10/39/387131039.db2.gz MNEQZDCMBUCKOW-LBPRGKRZSA-N 2 0 217.316 2.297 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccccc1Cl ZINC000575438062 387113309 /nfs/dbraw/zinc/11/33/09/387113309.db2.gz BPIZGCYZRMYUQN-LLVKDONJSA-N 2 0 212.724 2.469 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000575438869 387119391 /nfs/dbraw/zinc/11/93/91/387119391.db2.gz DLJKOIUUCFPPJT-SNVBAGLBSA-N 2 0 216.687 2.218 10 0 BEAERP CCOc1ccc([C@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438846 387120199 /nfs/dbraw/zinc/12/01/99/387120199.db2.gz CNSFFHISGYAROU-CYBMUJFWSA-N 2 0 222.332 2.214 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc2[nH]ccc2c1 ZINC000575439452 387122998 /nfs/dbraw/zinc/12/29/98/387122998.db2.gz MFIUCAFURXQYAN-GFCCVEGCSA-N 2 0 217.316 2.297 10 0 BEAERP Cc1ccc(F)c([C@@H]([NH3+])CCC[NH3+])c1F ZINC000575439579 387124422 /nfs/dbraw/zinc/12/44/22/387124422.db2.gz SJJRFNIOUNPICB-VIFPVBQESA-N 2 0 214.259 2.012 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000575439970 387125210 /nfs/dbraw/zinc/12/52/10/387125210.db2.gz PUCWBIFAQYRITR-SNVBAGLBSA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)cccc1Cl ZINC000575440057 387127555 /nfs/dbraw/zinc/12/75/55/387127555.db2.gz ICDYSELXSILINB-VIFPVBQESA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000575438375 387128971 /nfs/dbraw/zinc/12/89/71/387128971.db2.gz IFYVOKCGVDNPIU-JTQLQIEISA-N 2 0 232.249 2.233 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000575438710 387132712 /nfs/dbraw/zinc/13/27/12/387132712.db2.gz BGPHDSMBGZJVAY-LLVKDONJSA-N 2 0 212.724 2.469 10 0 BEAERP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000572111827 387236963 /nfs/dbraw/zinc/23/69/63/387236963.db2.gz XGCCJOKHMJYTTB-VXGBXAGGSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H]([NH2+]CCC1(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000643486551 387343795 /nfs/dbraw/zinc/34/37/95/387343795.db2.gz ZWLSGZKSJXQWEX-RYUDHWBXSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H]([NH2+]CCC1(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643486550 387343811 /nfs/dbraw/zinc/34/38/11/387343811.db2.gz ZWLSGZKSJXQWEX-NWDGAFQWSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000396897893 387510315 /nfs/dbraw/zinc/51/03/15/387510315.db2.gz AISHFZSFLKIGMW-NXEZZACHSA-N 2 0 238.297 2.307 10 0 BEAERP CCN1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324854551 387541368 /nfs/dbraw/zinc/54/13/68/387541368.db2.gz ZARWZQRIBIMINB-KGLIPLIRSA-N 2 0 222.376 2.249 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1ccccc1OC(F)F ZINC000037713263 387564803 /nfs/dbraw/zinc/56/48/03/387564803.db2.gz RSLZCXGVZNFKRC-VIFPVBQESA-N 2 0 244.285 2.287 10 0 BEAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)Oc1ccccc1 ZINC000422983344 387793359 /nfs/dbraw/zinc/79/33/59/387793359.db2.gz TUSUQZJEDLICEY-IYXRBSQSSA-N 2 0 248.370 2.313 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@H](C)[C@H]1[NH3+] ZINC000238850682 387936334 /nfs/dbraw/zinc/93/63/34/387936334.db2.gz CNGGMQNYSIBNDV-COMQUAJESA-N 2 0 232.371 2.490 10 0 BEAERP Cc1cccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423167017 387950941 /nfs/dbraw/zinc/95/09/41/387950941.db2.gz RSXGHKPQPWSXEQ-VXGBXAGGSA-N 2 0 218.344 2.254 10 0 BEAERP CC[C@@H]([NH3+])CNc1cc[nH+]c2ccccc12 ZINC000082579317 388037603 /nfs/dbraw/zinc/03/76/03/388037603.db2.gz JSDGHNXKMCZGGG-SNVBAGLBSA-N 2 0 215.300 2.384 10 0 BEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423274865 388055116 /nfs/dbraw/zinc/05/51/16/388055116.db2.gz MQWAYNSTNBLOMJ-RWMBFGLXSA-N 2 0 222.376 2.426 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000071521077 388097623 /nfs/dbraw/zinc/09/76/23/388097623.db2.gz RGEJNWVOHDUDKB-UONOGXRCSA-N 2 0 218.344 2.388 10 0 BEAERP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400318384 388112165 /nfs/dbraw/zinc/11/21/65/388112165.db2.gz AJIYBSGSXVMUEG-SCRDCRAPSA-N 2 0 248.370 2.344 10 0 BEAERP CSC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000517122845 388537808 /nfs/dbraw/zinc/53/78/08/388537808.db2.gz LBRFARMCBXBXEM-VXGBXAGGSA-N 2 0 242.432 2.250 10 0 BEAERP CC(C)C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000517229944 388543858 /nfs/dbraw/zinc/54/38/58/388543858.db2.gz MWSLNMXKRAGYSQ-QWHCGFSZSA-N 2 0 224.392 2.400 10 0 BEAERP CC(C)(C)c1c[nH]c(CC2CC[NH2+]CC2)n1 ZINC000038076162 388697272 /nfs/dbraw/zinc/69/72/72/388697272.db2.gz REPWJQANIWXTGY-UHFFFAOYSA-N 2 0 221.348 2.249 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@@H]1CCC[NH2+]C1 ZINC000566090834 388987306 /nfs/dbraw/zinc/98/73/06/388987306.db2.gz DIBQBMRSTNZAHA-YNEHKIRRSA-N 2 0 242.432 2.250 10 0 BEAERP C[C@@H]([NH2+]CC1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400553041 533366163 /nfs/dbraw/zinc/36/61/63/533366163.db2.gz YIRZBLARLPRPMD-HHTDUIENSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+]CCC(C)(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400515316 533373220 /nfs/dbraw/zinc/37/32/20/533373220.db2.gz MVUVOGVXBNSTCG-VXGBXAGGSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400501077 533375031 /nfs/dbraw/zinc/37/50/31/533375031.db2.gz IOUFJYBEMJHDQR-OCCSQVGLSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400349966 533390482 /nfs/dbraw/zinc/39/04/82/533390482.db2.gz JQDXIKDVXFAYKC-HIFRSBDPSA-N 2 0 232.371 2.207 10 0 BEAERP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400319693 533445335 /nfs/dbraw/zinc/44/53/35/533445335.db2.gz BITJQSSRYSVRQR-MWLCHTKSSA-N 2 0 240.297 2.052 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400483130 533495362 /nfs/dbraw/zinc/49/53/62/533495362.db2.gz WRHMLCPKZGTXBX-LOWVWBTDSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000400483140 533499741 /nfs/dbraw/zinc/49/97/41/533499741.db2.gz WRHMLCPKZGTXBX-NTZNESFSSA-N 2 0 210.365 2.153 10 0 BEAERP c1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000037918252 132345829 /nfs/dbraw/zinc/34/58/29/132345829.db2.gz ZWMRAEZOZCGGPE-JSGCOSHPSA-N 2 0 231.343 2.050 10 0 BEAERP CCC[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053701403 132363097 /nfs/dbraw/zinc/36/30/97/132363097.db2.gz LFRGQAPJBMGEKX-ZDUSSCGKSA-N 2 0 233.359 2.298 10 0 BEAERP C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1n1ccnc1 ZINC000179586153 134321652 /nfs/dbraw/zinc/32/16/52/134321652.db2.gz FZCCVSNSGTYVTE-YPMHNXCESA-N 2 0 219.332 2.319 10 0 BEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C1CCC1 ZINC000179583382 134322047 /nfs/dbraw/zinc/32/20/47/134322047.db2.gz FXNXOJMQGIXXLD-CYBMUJFWSA-N 2 0 219.332 2.208 10 0 BEAERP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000251797613 135078317 /nfs/dbraw/zinc/07/83/17/135078317.db2.gz XXZBJPDBUSNHMK-MCIONIFRSA-N 2 0 224.392 2.497 10 0 BEAERP CC1(C)C[N@H+](CC2CCCC2)CC[C@H]1[NH3+] ZINC000258760617 135133820 /nfs/dbraw/zinc/13/38/20/135133820.db2.gz KQVWBBOWYKZFFG-GFCCVEGCSA-N 2 0 210.365 2.236 10 0 BEAERP [NH3+]C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261533104 135164003 /nfs/dbraw/zinc/16/40/03/135164003.db2.gz QHKINQZWZUBZAM-JTQLQIEISA-N 2 0 232.318 2.235 10 0 BEAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538250 135175589 /nfs/dbraw/zinc/17/55/89/135175589.db2.gz UGEOONNLIBNMLK-UTUOFQBUSA-N 2 0 246.345 2.481 10 0 BEAERP C[C@@]1(C[N@@H+]2CCCC3(CCC3)C2)CC[NH2+]C1 ZINC000262053804 135276764 /nfs/dbraw/zinc/27/67/64/135276764.db2.gz QMMQNKPGITWMGY-CYBMUJFWSA-N 2 0 222.376 2.252 10 0 BEAERP C[C@H]1CC([NH2+]C[C@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000414920565 398098551 /nfs/dbraw/zinc/09/85/51/398098551.db2.gz ZQSUYXAGKQBPFV-UTUOFQBUSA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]CCCNc1cc[nH+]c2cc(F)ccc12 ZINC000257761481 322873697 /nfs/dbraw/zinc/87/36/97/322873697.db2.gz WWBSCMSGSQDHAR-UHFFFAOYSA-N 2 0 219.263 2.135 10 0 BEAERP CC(C)OCC[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000049259286 167227522 /nfs/dbraw/zinc/22/75/22/167227522.db2.gz FZJGGTSUYLRZIF-UHFFFAOYSA-N 2 0 236.359 2.002 10 0 BEAERP CC(C)C[NH2+]CCC[N@H+](C)CC(C)C ZINC000052452556 410586179 /nfs/dbraw/zinc/58/61/79/410586179.db2.gz CURMWRKMZFEZQM-UHFFFAOYSA-N 2 0 200.370 2.210 10 0 BEAERP CC(C)CC[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049663263 166841074 /nfs/dbraw/zinc/84/10/74/166841074.db2.gz FMGNADMLGSSDGP-STQMWFEESA-N 2 0 212.381 2.495 10 0 BEAERP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935765 167005315 /nfs/dbraw/zinc/00/53/15/167005315.db2.gz JPUZVUJQSPBHJM-UONOGXRCSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)C[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1 ZINC000053697264 167006113 /nfs/dbraw/zinc/00/61/13/167006113.db2.gz MMJQGYWLONNUBG-AWEZNQCLSA-N 2 0 233.359 2.296 10 0 BEAERP CC(C)[NH2+]CC(C)(C)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061934224 167097808 /nfs/dbraw/zinc/09/78/08/167097808.db2.gz AWHCTUOVCGANMA-ZDUSSCGKSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)[NH2+]CCC[N@H+](CCO)C1CCCCC1 ZINC000042513793 167102320 /nfs/dbraw/zinc/10/23/20/167102320.db2.gz GHYXIVPZTRUNSE-UHFFFAOYSA-N 2 0 242.407 2.002 10 0 BEAERP CC(C)[NH2+]Cc1cc2c(s1)C[N@H+](C)CC2 ZINC000045206011 167116729 /nfs/dbraw/zinc/11/67/29/167116729.db2.gz VSJKYTKMMQVRSG-UHFFFAOYSA-N 2 0 224.373 2.234 10 0 BEAERP CC[C@H]1CCCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324153 411144323 /nfs/dbraw/zinc/14/43/23/411144323.db2.gz AAGIJTMNFJZHQX-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783024 411359552 /nfs/dbraw/zinc/35/95/52/411359552.db2.gz MCDMYQKOMQHFDT-HZSPNIEDSA-N 2 0 247.386 2.163 10 0 BEAERP CC(C)[C@H](N)C[N@H+](C)C1CCC(C)CC1 ZINC000042488240 168158694 /nfs/dbraw/zinc/15/86/94/168158694.db2.gz GCYQMHOGPJXOSE-WXRRBKDZSA-N 2 0 212.381 2.480 10 0 BEAERP CC1CC[NH+](C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503015 168182890 /nfs/dbraw/zinc/18/28/90/168182890.db2.gz RFPGOHNYRIPBOP-QWHCGFSZSA-N 2 0 210.365 2.236 10 0 BEAERP CCC(C)(C)[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665004 168288192 /nfs/dbraw/zinc/28/81/92/168288192.db2.gz SRKGHOKKZMUNGC-RYUDHWBXSA-N 2 0 212.381 2.352 10 0 BEAERP C[NH2+]Cc1ccccc1CNc1cc[nH+]cc1C ZINC000404635134 411402625 /nfs/dbraw/zinc/40/26/25/411402625.db2.gz INMRRSVJUNCWTN-UHFFFAOYSA-N 2 0 241.338 2.143 10 0 BEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000037644173 170016505 /nfs/dbraw/zinc/01/65/05/170016505.db2.gz VHOUKRLIUUCHGY-QWHCGFSZSA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCOC ZINC000054628877 170109693 /nfs/dbraw/zinc/10/96/93/170109693.db2.gz ZELAYEXQEINNNO-AGUYFDCRSA-N 2 0 240.391 2.018 10 0 BEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382040 170119964 /nfs/dbraw/zinc/11/99/64/170119964.db2.gz VDIUHXADJIVSBD-KBPBESRZSA-N 2 0 240.391 2.020 10 0 BEAERP CC[NH2+]C[C@H](C)C[NH+]1CCC(C)(C)CC1 ZINC000061822666 170121688 /nfs/dbraw/zinc/12/16/88/170121688.db2.gz GNEUGHRFUJUVEY-LBPRGKRZSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]Cc1csc(CC[NH+](CC)CC)n1 ZINC000040999613 170130271 /nfs/dbraw/zinc/13/02/71/170130271.db2.gz IZCIXINUQPYPRN-UHFFFAOYSA-N 2 0 241.404 2.137 10 0 BEAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000037242436 170151765 /nfs/dbraw/zinc/15/17/65/170151765.db2.gz ARTKKILDPRMGOC-GFCCVEGCSA-N 2 0 210.365 2.393 10 0 BEAERP CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C ZINC000049709046 170167077 /nfs/dbraw/zinc/16/70/77/170167077.db2.gz YEKSWNLCIDVODY-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)=CCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662267365 412060379 /nfs/dbraw/zinc/06/03/79/412060379.db2.gz UXTPSJBIZWRZIN-CYBMUJFWSA-N 2 0 210.365 2.417 10 0 BEAERP CC[C@@H]1CC[N@H+](CC2CCC2)CCC[NH2+]1 ZINC000049665854 171007879 /nfs/dbraw/zinc/00/78/79/171007879.db2.gz BELAYPZZLLKBOB-CYBMUJFWSA-N 2 0 210.365 2.251 10 0 BEAERP CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCO[C@H](C)C1 ZINC000034689294 171296617 /nfs/dbraw/zinc/29/66/17/171296617.db2.gz LSGKDXYNRSPVHQ-MJBXVCDLSA-N 2 0 242.407 2.251 10 0 BEAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000665236390 412177200 /nfs/dbraw/zinc/17/72/00/412177200.db2.gz LVRVKFLJYAHIIU-GRYCIOLGSA-N 2 0 212.381 2.399 10 0 BEAERP CCn1cc[nH+]c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000050614139 172227735 /nfs/dbraw/zinc/22/77/35/172227735.db2.gz SFEJGZCLYDDWHW-GFCCVEGCSA-N 2 0 236.363 2.045 10 0 BEAERP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053862926 172872596 /nfs/dbraw/zinc/87/25/96/172872596.db2.gz FTUMYCAQOZDBCD-KBPBESRZSA-N 2 0 218.344 2.246 10 0 BEAERP C[NH+]1CCC([C@H]([NH3+])c2ccsc2)CC1 ZINC000169726687 173000036 /nfs/dbraw/zinc/00/00/36/173000036.db2.gz OWQANEUNUWOPAH-NSHDSACASA-N 2 0 210.346 2.090 10 0 BEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccccn1 ZINC000049773267 173005474 /nfs/dbraw/zinc/00/54/74/173005474.db2.gz OLAQWQQDAMYTPL-OAHLLOKOSA-N 2 0 247.386 2.088 10 0 BEAERP C[N@@H+]1CCC[C@H]1CCOCc1cccc(C[NH3+])c1 ZINC000052673273 173053741 /nfs/dbraw/zinc/05/37/41/173053741.db2.gz IGYKWDOPPIIVSA-HNNXBMFYSA-N 2 0 248.370 2.146 10 0 BEAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccco1)C2 ZINC000035661454 173206353 /nfs/dbraw/zinc/20/63/53/173206353.db2.gz UVOLIJQRSSMGBW-YHWZYXNKSA-N 2 0 234.343 2.037 10 0 BEAERP C[NH2+]CC(C)(C)C[N@@H+]1CCc2ccccc2C1 ZINC000051212972 173335700 /nfs/dbraw/zinc/33/57/00/173335700.db2.gz NCJGCCXWKUXABP-UHFFFAOYSA-N 2 0 232.371 2.290 10 0 BEAERP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000124777588 173345845 /nfs/dbraw/zinc/34/58/45/173345845.db2.gz ZFLPNDKICULFBM-LBPRGKRZSA-N 2 0 236.359 2.298 10 0 BEAERP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000124777755 173346212 /nfs/dbraw/zinc/34/62/12/173346212.db2.gz ZFLPNDKICULFBM-GFCCVEGCSA-N 2 0 236.359 2.298 10 0 BEAERP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419106 173357445 /nfs/dbraw/zinc/35/74/45/173357445.db2.gz FEWOACRXYDFFBP-GFCCVEGCSA-N 2 0 218.344 2.043 10 0 BEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419105 173358292 /nfs/dbraw/zinc/35/82/92/173358292.db2.gz FEWOACRXYDFFBP-LBPRGKRZSA-N 2 0 218.344 2.043 10 0 BEAERP C[NH2+]CC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000077364767 173358455 /nfs/dbraw/zinc/35/84/55/173358455.db2.gz MCYUXXIWWZIUPQ-OAHLLOKOSA-N 2 0 232.371 2.161 10 0 BEAERP C[NH2+]C[C@@H]1CCCN1CCCc1cccs1 ZINC000019933382 173369137 /nfs/dbraw/zinc/36/91/37/173369137.db2.gz TUOQPUUEAFSXMZ-LBPRGKRZSA-N 2 0 238.400 2.365 10 0 BEAERP C[NH2+]C[C@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC000052596934 173377964 /nfs/dbraw/zinc/37/79/64/173377964.db2.gz UEMFUXWLAWFNBM-HNNXBMFYSA-N 2 0 248.370 2.058 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034949 173382056 /nfs/dbraw/zinc/38/20/56/173382056.db2.gz WSQPYFXMOIBRBU-CZUORRHYSA-N 2 0 244.382 2.085 10 0 BEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000052484486 173388838 /nfs/dbraw/zinc/38/88/38/173388838.db2.gz WEMZMYDDCAQJEG-CYBMUJFWSA-N 2 0 248.370 2.127 10 0 BEAERP C[NH2+]Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000019777329 173389000 /nfs/dbraw/zinc/38/90/00/173389000.db2.gz DBSSYVFPBDRCEK-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+]Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000019777330 173389841 /nfs/dbraw/zinc/38/98/41/173389841.db2.gz HUBWYAYEOULLLU-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+]Cc1coc(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000052381463 173392974 /nfs/dbraw/zinc/39/29/74/173392974.db2.gz KEZSRJVHQDAJJJ-NSHDSACASA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+]Cc1coc(C[NH+]2CCCCCC2)c1 ZINC000052381965 173393513 /nfs/dbraw/zinc/39/35/13/173393513.db2.gz RKVLXCUTLOHPHM-UHFFFAOYSA-N 2 0 222.332 2.375 10 0 BEAERP C[NH2+]Cc1coc(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000052381461 173393528 /nfs/dbraw/zinc/39/35/28/173393528.db2.gz KEZSRJVHQDAJJJ-LLVKDONJSA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381309 173399571 /nfs/dbraw/zinc/39/95/71/173399571.db2.gz ZKOCSICHICOTGO-NSHDSACASA-N 2 0 222.332 2.231 10 0 BEAERP COC1CC[NH+](CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000037266493 174029169 /nfs/dbraw/zinc/02/91/69/174029169.db2.gz GLCVAGRUCIEGSK-HNNXBMFYSA-N 2 0 248.370 2.187 10 0 BEAERP COC1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037265713 174031054 /nfs/dbraw/zinc/03/10/54/174031054.db2.gz FIRASDISUBELDJ-GXTWGEPZSA-N 2 0 240.391 2.005 10 0 BEAERP COCCC[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000053660548 174228516 /nfs/dbraw/zinc/22/85/16/174228516.db2.gz DYQXPBXUKAUEPY-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+](C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051258762 174275794 /nfs/dbraw/zinc/27/57/94/174275794.db2.gz LYHSORKIGMYNCT-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+]([C@H](C)CC[NH2+]C(C)(C)C)C1CC1 ZINC000052542570 174284498 /nfs/dbraw/zinc/28/44/98/174284498.db2.gz ACJBQMYCWODLDX-GFCCVEGCSA-N 2 0 242.407 2.264 10 0 BEAERP COCC[N@H+](C1CC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042517877 174285474 /nfs/dbraw/zinc/28/54/74/174285474.db2.gz VSRJVFGSANNGDK-JSGCOSHPSA-N 2 0 240.391 2.005 10 0 BEAERP COc1ccc(C)cc1[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245067 175078864 /nfs/dbraw/zinc/07/88/64/175078864.db2.gz OMSCNOSGYODWGM-CHWSQXEVSA-N 2 0 248.370 2.345 10 0 BEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000037646155 175177124 /nfs/dbraw/zinc/17/71/24/175177124.db2.gz UNDVNAGJIUOELQ-OLZOCXBDSA-N 2 0 248.370 2.298 10 0 BEAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)cc1 ZINC000037646156 175189671 /nfs/dbraw/zinc/18/96/71/175189671.db2.gz UNDVNAGJIUOELQ-QWHCGFSZSA-N 2 0 248.370 2.298 10 0 BEAERP COc1ccc2c(cc[nH+]c2NCCC[NH3+])c1 ZINC000082766064 175206060 /nfs/dbraw/zinc/20/60/60/175206060.db2.gz JGNNRDHCPOZUDI-UHFFFAOYSA-N 2 0 231.299 2.004 10 0 BEAERP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749255 175261468 /nfs/dbraw/zinc/26/14/68/175261468.db2.gz FHSFGUBXWQPZQH-AGUYFDCRSA-N 2 0 246.354 2.149 10 0 BEAERP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427413 175261475 /nfs/dbraw/zinc/26/14/75/175261475.db2.gz ZMPJNYHXFVCQHX-JSGCOSHPSA-N 2 0 248.370 2.254 10 0 BEAERP COc1cccc([C@@H](CN)[N@H+](C)CC(C)C)c1 ZINC000020225828 175287416 /nfs/dbraw/zinc/28/74/16/175287416.db2.gz OZXXZQBSKJVQRY-CQSZACIVSA-N 2 0 236.359 2.283 10 0 BEAERP COc1cccc2cc([C@@H](C)[NH2+]CCC[NH3+])oc21 ZINC000037713534 175307456 /nfs/dbraw/zinc/30/74/56/175307456.db2.gz JGFRYVZRSRDFOO-SNVBAGLBSA-N 2 0 248.326 2.441 10 0 BEAERP COc1ccccc1C[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000037735031 175333183 /nfs/dbraw/zinc/33/31/83/175333183.db2.gz RRBIMHITKJREIC-LBPRGKRZSA-N 2 0 248.370 2.049 10 0 BEAERP C[C@@H](c1cccs1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000043501413 176033631 /nfs/dbraw/zinc/03/36/31/176033631.db2.gz QYMSWJMQVBNDBN-WDEREUQCSA-N 2 0 224.373 2.493 10 0 BEAERP C[C@@H](c1cccs1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256724 176034374 /nfs/dbraw/zinc/03/43/74/176034374.db2.gz XZDHMSCIVWBHAY-UWVGGRQHSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666705 176035584 /nfs/dbraw/zinc/03/55/84/176035584.db2.gz CITSHMQMXAUCPR-MCIONIFRSA-N 2 0 247.386 2.463 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC1 ZINC000044480011 176070899 /nfs/dbraw/zinc/07/08/99/176070899.db2.gz FROZWIGFEPQNPG-GFCCVEGCSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@@H]1CCC[C@@H](C)C1[NH+]1CCC([NH3+])CC1 ZINC000034958706 176113907 /nfs/dbraw/zinc/11/39/07/176113907.db2.gz TZUKKZHRDAMJLN-GHMZBOCLSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]1CCC[C@@H]([NH+]2CCC[NH2+]CCC2)C1 ZINC000049665922 176120716 /nfs/dbraw/zinc/12/07/16/176120716.db2.gz YLBNJPUCWCPLDD-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000036771882 176202258 /nfs/dbraw/zinc/20/22/58/176202258.db2.gz VPNSYXMLKFAIHR-VHDGCEQUSA-N 2 0 247.386 2.277 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000042427374 176224299 /nfs/dbraw/zinc/22/42/99/176224299.db2.gz NMAOAWLKDGEAHC-DGCLKSJQSA-N 2 0 236.334 2.385 10 0 BEAERP C[C@@H]1C[N@@H+](C2(C)CCCCC2)CC[C@@H]1[NH3+] ZINC000045046026 176280236 /nfs/dbraw/zinc/28/02/36/176280236.db2.gz IENSCRYGFMSYRS-NEPJUHHUSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@@H]1C[N@H+](CC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000061934319 176294757 /nfs/dbraw/zinc/29/47/57/176294757.db2.gz SLTFGTNZJQBDBX-HIFRSBDPSA-N 2 0 248.370 2.187 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@H+](CC2CCCC2)C1 ZINC000049666019 176324729 /nfs/dbraw/zinc/32/47/29/176324729.db2.gz RBUMIXUHBORKJA-GFCCVEGCSA-N 2 0 210.365 2.108 10 0 BEAERP C[C@H](Cc1ccco1)[NH2+]CC1CCC([NH3+])CC1 ZINC000042594222 176725302 /nfs/dbraw/zinc/72/53/02/176725302.db2.gz YSXFDZXJZLIMLB-PNESKVBLSA-N 2 0 236.359 2.318 10 0 BEAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546782 177080330 /nfs/dbraw/zinc/08/03/30/177080330.db2.gz PAPRFCMAHHTBNA-GWCFXTLKSA-N 2 0 237.347 2.144 10 0 BEAERP C[C@H]1CCC[N@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764276 177097812 /nfs/dbraw/zinc/09/78/12/177097812.db2.gz JQHMZUZKSVFCHQ-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1CCC[N@@H+]1CCOc1ccc(CC[NH3+])cc1 ZINC000037910100 177109720 /nfs/dbraw/zinc/10/97/20/177109720.db2.gz OVEZQRHSBZZLIE-ZDUSSCGKSA-N 2 0 248.370 2.051 10 0 BEAERP C[C@H]1CCC[C@H](C)C1[NH+]1CCC(C[NH3+])CC1 ZINC000044511963 177129052 /nfs/dbraw/zinc/12/90/52/177129052.db2.gz XKKXWRVWBOFEBK-RYUDHWBXSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1CC[N@@H+](CC2CCC2)CC[C@H](C)[NH2+]1 ZINC000049665864 177159478 /nfs/dbraw/zinc/15/94/78/177159478.db2.gz MGQQGJCJNJAYPL-TXEJJXNPSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000042427268 177189404 /nfs/dbraw/zinc/18/94/04/177189404.db2.gz UULKCNKNLCNSLY-QWRGUYRKSA-N 2 0 224.373 2.307 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000042427283 177189598 /nfs/dbraw/zinc/18/95/98/177189598.db2.gz 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C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000712667240 712439827 /nfs/dbraw/zinc/43/98/27/712439827.db2.gz NDOWNERMCCAMIQ-ASEORRQLSA-N 2 0 222.376 2.010 10 0 BEAERP [NH3+]CCC[N@H+](CCc1ccccc1)C1CC1 ZINC000036732081 712483838 /nfs/dbraw/zinc/48/38/38/712483838.db2.gz SGBDFNYCBVIVFF-UHFFFAOYSA-N 2 0 218.344 2.042 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CCCSC2)CC1 ZINC000714753975 712497772 /nfs/dbraw/zinc/49/77/72/712497772.db2.gz OFQPXMNSCDNBGT-NSHDSACASA-N 2 0 228.405 2.085 10 0 BEAERP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000037484260 712650677 /nfs/dbraw/zinc/65/06/77/712650677.db2.gz VUNBDXXBGGGNBL-OLZOCXBDSA-N 2 0 212.381 2.354 10 0 BEAERP CC1(C)C[NH2+]C[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000721859628 710686466 /nfs/dbraw/zinc/68/64/66/710686466.db2.gz VYAQBEVLVNAHQC-AWEZNQCLSA-N 2 0 241.338 2.067 10 0 BEAERP CC1(C)C[NH2+]C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000721859632 710687967 /nfs/dbraw/zinc/68/79/67/710687967.db2.gz VYAQBEVLVNAHQC-CQSZACIVSA-N 2 0 241.338 2.067 10 0 BEAERP C[C@@H](CC[NH+](C)C)[NH2+]CCc1ccccc1 ZINC000049551893 711448782 /nfs/dbraw/zinc/44/87/82/711448782.db2.gz ZTYDGSZZTHVAGI-ZDUSSCGKSA-N 2 0 220.360 2.159 10 0 BEAERP CC[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000037478553 711466850 /nfs/dbraw/zinc/46/68/50/711466850.db2.gz LSGKCNZRKRNOQM-ZDUSSCGKSA-N 2 0 210.365 2.393 10 0 BEAERP CC1(C)C[C@]1(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000701981761 712034473 /nfs/dbraw/zinc/03/44/73/712034473.db2.gz CYLXLSVZQTZSOS-GCZXYKMCSA-N 2 0 210.365 2.282 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000711053679 712277175 /nfs/dbraw/zinc/27/71/75/712277175.db2.gz WHARJRUXWAUHHY-FVCCEPFGSA-N 2 0 242.432 2.248 10 0 BEAERP CC1(C)CC[C@H](C[NH2+]C2CCC([NH3+])CC2)OC1 ZINC000711390753 712297210 /nfs/dbraw/zinc/29/72/10/712297210.db2.gz NMIRLWGQGMSFOH-WXRRBKDZSA-N 2 0 240.391 2.051 10 0 BEAERP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000712470462 712430578 /nfs/dbraw/zinc/43/05/78/712430578.db2.gz BUPNBQMFQQWBKC-HTVCTNPSSA-N 2 0 222.376 2.153 10 0 BEAERP COCC1CC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000713977277 712475700 /nfs/dbraw/zinc/47/57/00/712475700.db2.gz DQFZVAIOJKQHCB-FWFPMQDGSA-N 2 0 246.354 2.146 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 ZINC000714753329 712497399 /nfs/dbraw/zinc/49/73/99/712497399.db2.gz KDWXXBGMQTYUOP-NEPJUHHUSA-N 2 0 210.365 2.378 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC2(C)C)CC1 ZINC000714754755 712497727 /nfs/dbraw/zinc/49/77/27/712497727.db2.gz WJJYEJZLZOXYNB-LLVKDONJSA-N 2 0 210.365 2.378 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@@H](OC)C2)CC1 ZINC000714760198 712498459 /nfs/dbraw/zinc/49/84/59/712498459.db2.gz WHBYFRDSNTYHID-QWHCGFSZSA-N 2 0 240.391 2.147 10 0 BEAERP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000714868822 712502101 /nfs/dbraw/zinc/50/21/01/712502101.db2.gz YJSUPEYZVFHKRU-KFWWJZLASA-N 2 0 236.403 2.497 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000716551960 712563359 /nfs/dbraw/zinc/56/33/59/712563359.db2.gz NTGUKYXNEUJHQF-JSLGZRHDSA-N 2 0 236.403 2.256 10 0 BEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000716546353 712567507 /nfs/dbraw/zinc/56/75/07/712567507.db2.gz PLWPQLAAMJIMDX-IKOXMDCHSA-N 2 0 222.376 2.010 10 0 BEAERP Cc1cc[nH+]c(NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000717008082 712604273 /nfs/dbraw/zinc/60/42/73/712604273.db2.gz BHNPRIOGBRYNHW-SNVBAGLBSA-N 2 0 241.285 2.047 10 0 BEAERP CCc1nc(C)cc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721031663 712887785 /nfs/dbraw/zinc/88/77/85/712887785.db2.gz NGKJMYAUWQSLBB-ZYHUDNBSSA-N 2 0 248.374 2.005 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685953533 538898095 /nfs/dbraw/zinc/89/80/95/538898095.db2.gz IGFFGXGJIJTBKY-YPMHNXCESA-N 2 0 210.365 2.378 10 0 BEAERP C[C@H]1C[C@@]2(CC(C)(C)C1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000685953893 538898463 /nfs/dbraw/zinc/89/84/63/538898463.db2.gz JGJGYTQWQJVRNP-NTZNESFSSA-N 2 0 210.365 2.234 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCC[C@@H](C)C2 ZINC000685953119 538897553 /nfs/dbraw/zinc/89/75/53/538897553.db2.gz GEOJHZJSLOOTFB-UPJWGTAASA-N 2 0 210.365 2.377 10 0 BEAERP [NH3+][C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000071373385 398148109 /nfs/dbraw/zinc/14/81/09/398148109.db2.gz XSLBNUDXCRSMOS-LSDHHAIUSA-N 2 0 230.355 2.390 10 0 BEAERP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422943379 398159767 /nfs/dbraw/zinc/15/97/67/398159767.db2.gz LGDGASHGMQFRCP-ZGVCCVRISA-N 2 0 210.365 2.294 10 0 BEAERP Cc1cc(N[C@H](C)CCCC[NH3+])cc[nH+]1 ZINC000308865141 178186169 /nfs/dbraw/zinc/18/61/69/178186169.db2.gz WOJRYSGURYCXKI-SNVBAGLBSA-N 2 0 207.321 2.319 10 0 BEAERP Cc1cc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000044730731 178221519 /nfs/dbraw/zinc/22/15/19/178221519.db2.gz MGJMRJWLWOEYEF-ZYHUDNBSSA-N 2 0 222.332 2.238 10 0 BEAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381590218 398254058 /nfs/dbraw/zinc/25/40/58/398254058.db2.gz DIRSECRDHRRGFI-GRYCIOLGSA-N 2 0 246.345 2.481 10 0 BEAERP CCC(CC)[N@H+](C)CCNCC[NH+](CC)CC ZINC000053384030 168369001 /nfs/dbraw/zinc/36/90/01/168369001.db2.gz RCQVORDIQCWDDO-UHFFFAOYSA-N 2 0 243.439 2.038 10 0 BEAERP CCC(CC)[N@H+](CCOC)[C@H]1CCC[C@@H]1C[NH3+] ZINC000042614303 168375549 /nfs/dbraw/zinc/37/55/49/168375549.db2.gz SWVKIXRJQYQQKB-OCCSQVGLSA-N 2 0 242.407 2.251 10 0 BEAERP CCC(CC)N(CCOC)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062948917 168376459 /nfs/dbraw/zinc/37/64/59/168376459.db2.gz MNDFKVJTEZDPIB-JSGCOSHPSA-N 2 0 242.407 2.264 10 0 BEAERP Fc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1Cl ZINC000398346497 323011004 /nfs/dbraw/zinc/01/10/04/323011004.db2.gz GZPURJIUZZCGJR-JTQLQIEISA-N 2 0 242.725 2.178 10 0 BEAERP CCC(CC)[NH2+]C[C@H](C)N(C)C[C@@H]1CCCO1 ZINC000053496176 168388381 /nfs/dbraw/zinc/38/83/81/168388381.db2.gz WJTWPDVVZHDCRH-JSGCOSHPSA-N 2 0 242.407 2.264 10 0 BEAERP CCC(CC)[C@@H](C[NH3+])N(C)Cc1ccccn1 ZINC000036777138 168399118 /nfs/dbraw/zinc/39/91/18/168399118.db2.gz IKWJPDOQNFWNBE-CQSZACIVSA-N 2 0 235.375 2.277 10 0 BEAERP CC[N@H+](CCCCCC[NH3+])Cc1cccnc1 ZINC000138558977 342902385 /nfs/dbraw/zinc/90/23/85/342902385.db2.gz CXADOGWWJQWMQB-UHFFFAOYSA-N 2 0 235.375 2.423 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916542 398335296 /nfs/dbraw/zinc/33/52/96/398335296.db2.gz XSRTUPIIARLOOR-AVGNSLFASA-N 2 0 210.365 2.249 10 0 BEAERP CC[NH+](CC)[C@@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000584881475 343082320 /nfs/dbraw/zinc/08/23/20/343082320.db2.gz JCGFRKQGIOOYFC-RWMBFGLXSA-N 2 0 210.365 2.249 10 0 BEAERP CC[NH+](CC)[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000584881474 343082349 /nfs/dbraw/zinc/08/23/49/343082349.db2.gz JCGFRKQGIOOYFC-JHJVBQTASA-N 2 0 210.365 2.249 10 0 BEAERP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400354137 529683645 /nfs/dbraw/zinc/68/36/45/529683645.db2.gz LLFIVJPLOPJULY-WUHRBBMRSA-N 2 0 212.381 2.399 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000043642008 343479540 /nfs/dbraw/zinc/47/95/40/343479540.db2.gz IFQRFSKEHYUZAT-QLFBSQMISA-N 2 0 230.355 2.246 10 0 BEAERP Cc1ccc(OCCC[NH+](C)C)c([C@H](C)[NH3+])c1 ZINC000041271945 187265242 /nfs/dbraw/zinc/26/52/42/187265242.db2.gz MWDBGOWKJCZEQG-LBPRGKRZSA-N 2 0 236.359 2.345 10 0 BEAERP C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000052484593 187270955 /nfs/dbraw/zinc/27/09/55/187270955.db2.gz KMIWAXSBQMKQNI-LBPRGKRZSA-N 2 0 218.344 2.248 10 0 BEAERP FC1(F)CCC[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC000409431485 343823632 /nfs/dbraw/zinc/82/36/32/343823632.db2.gz SMLZHNROBGCDGV-CMPLNLGQSA-N 2 0 244.329 2.106 10 0 BEAERP FC1(F)CCC[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC000409431489 343823698 /nfs/dbraw/zinc/82/36/98/343823698.db2.gz SMLZHNROBGCDGV-JQWIXIFHSA-N 2 0 244.329 2.106 10 0 BEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400338067 344494658 /nfs/dbraw/zinc/49/46/58/344494658.db2.gz DUSOGIQJSVDFEE-VXGBXAGGSA-N 2 0 212.381 2.400 10 0 BEAERP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128096046 192075996 /nfs/dbraw/zinc/07/59/96/192075996.db2.gz AXCTWBUTLBZZFT-XQQFMLRXSA-N 2 0 240.416 2.098 10 0 BEAERP C[C@@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC000224394085 344909799 /nfs/dbraw/zinc/90/97/99/344909799.db2.gz MAOQDTVHBUZJAM-GXSJLCMTSA-N 2 0 210.346 2.232 10 0 BEAERP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000634998152 345197388 /nfs/dbraw/zinc/19/73/88/345197388.db2.gz BMDVDFQNAVSIOM-JSGCOSHPSA-N 2 0 248.370 2.030 10 0 BEAERP Cc1ccc(F)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998072 345197452 /nfs/dbraw/zinc/19/74/52/345197452.db2.gz AHFLQVFFPQKLAF-YPMHNXCESA-N 2 0 236.334 2.161 10 0 BEAERP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998516 345198548 /nfs/dbraw/zinc/19/85/48/345198548.db2.gz GRUJHXNJCMVDAF-NFAWXSAZSA-N 2 0 232.371 2.317 10 0 BEAERP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634999849 345201147 /nfs/dbraw/zinc/20/11/47/345201147.db2.gz AQURBSVDWVUSQA-OCCSQVGLSA-N 2 0 248.370 2.112 10 0 BEAERP CC[N@H+](CC(C)C)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675054253 537893252 /nfs/dbraw/zinc/89/32/52/537893252.db2.gz QSRQVWXHDYTODZ-STQMWFEESA-N 2 0 212.381 2.482 10 0 BEAERP C(C1CC[NH2+]CC1)C1CC[NH+](CC2CC2)CC1 ZINC000168412293 345812255 /nfs/dbraw/zinc/81/22/55/345812255.db2.gz SDAQHVUVINMOSR-UHFFFAOYSA-N 2 0 236.403 2.498 10 0 BEAERP CC(C)C1([NH+]2CCCCC2)CC[NH2+]CC1 ZINC000685961614 537943621 /nfs/dbraw/zinc/94/36/21/537943621.db2.gz UFYJEDBPYANYTP-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C/C=C\C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000390721521 346314779 /nfs/dbraw/zinc/31/47/79/346314779.db2.gz NZDIURAFJNIMEO-GWQWAINWSA-N 2 0 230.355 2.427 10 0 BEAERP C/C=C\C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000390721522 346314956 /nfs/dbraw/zinc/31/49/56/346314956.db2.gz NZDIURAFJNIMEO-MPNWYJEXSA-N 2 0 230.355 2.427 10 0 BEAERP Cc1cccc(C[N@@H+](C)C[C@H](C)C[NH3+])c1 ZINC000042435683 179065045 /nfs/dbraw/zinc/06/50/45/179065045.db2.gz BQCANXPJJFFOHJ-GFCCVEGCSA-N 2 0 206.333 2.022 10 0 BEAERP Cc1ccccc1[C@H]([NH3+])CC[NH+]1CCCC1 ZINC000054015480 179343953 /nfs/dbraw/zinc/34/39/53/179343953.db2.gz FZOSWAIUZUOZNA-CQSZACIVSA-N 2 0 218.344 2.481 10 0 BEAERP [NH3+]C[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000616574802 349081207 /nfs/dbraw/zinc/08/12/07/349081207.db2.gz YHPAGVSVNBAPRL-RRFJBIMHSA-N 2 0 230.355 2.103 10 0 BEAERP Cc1ncccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128062719 180227676 /nfs/dbraw/zinc/22/76/76/180227676.db2.gz WWMSYRVMYFQVHR-QWHCGFSZSA-N 2 0 231.343 2.429 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000252156715 538083953 /nfs/dbraw/zinc/08/39/53/538083953.db2.gz NKGDPTOUTPIVSK-JHJVBQTASA-N 2 0 210.365 2.378 10 0 BEAERP [NH3+]CCN1CCC[C@@H]1c1cccc2cccnc21 ZINC000616608496 350804396 /nfs/dbraw/zinc/80/43/96/350804396.db2.gz UHMIXKAVDBSXRD-CQSZACIVSA-N 2 0 241.338 2.330 10 0 BEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000251784276 350903211 /nfs/dbraw/zinc/90/32/11/350903211.db2.gz WZRSRFWWZLMNQM-RRFJBIMHSA-N 2 0 230.355 2.116 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000306944632 351372390 /nfs/dbraw/zinc/37/23/90/351372390.db2.gz JRKGZEBICVBMCT-MRVPVSSYSA-N 2 0 219.115 2.342 10 0 BEAERP c1ccc(CN2CC[C@@H](NC3=[NH+]CCC3)C2)cc1 ZINC000307040735 351443941 /nfs/dbraw/zinc/44/39/41/351443941.db2.gz MUOCRPACUKCCJN-CQSZACIVSA-N 2 0 243.354 2.043 10 0 BEAERP C[C@@H]1/C(=C/C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000307131363 351495980 /nfs/dbraw/zinc/49/59/80/351495980.db2.gz ZZRZBVFDSSWGIK-CWZJEYLYSA-N 2 0 216.328 2.166 10 0 BEAERP CC(=[NH2+])N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307219240 351619026 /nfs/dbraw/zinc/61/90/26/351619026.db2.gz WCCMICPLNIDCQC-SMDDNHRTSA-N 2 0 231.343 2.236 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000307334636 352053558 /nfs/dbraw/zinc/05/35/58/352053558.db2.gz RAVHCDUYAMTKCJ-SECBINFHSA-N 2 0 219.115 2.342 10 0 BEAERP CCC(CC)[NH2+]C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270063 538102035 /nfs/dbraw/zinc/10/20/35/538102035.db2.gz GUMLGVAZMCVRLH-CPCZMJQVSA-N 2 0 210.365 2.425 10 0 BEAERP CC[C@H](C)C[NH2+][C@]12CC[NH2+][C@H]1CCCC2 ZINC000725272148 538103959 /nfs/dbraw/zinc/10/39/59/538103959.db2.gz MZGLISZHZVHNPD-RWMBFGLXSA-N 2 0 210.365 2.297 10 0 BEAERP C[C@H]1C[NH2+]CC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000307384497 352510932 /nfs/dbraw/zinc/51/09/32/352510932.db2.gz ITVSTUGUEOABOT-GXTWGEPZSA-N 2 0 218.344 2.116 10 0 BEAERP C[C@@H]1CC[N@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000040725283 188292905 /nfs/dbraw/zinc/29/29/05/188292905.db2.gz UCOACPUCKCYKAV-OCCSQVGLSA-N 2 0 218.344 2.418 10 0 BEAERP CC(C)Cc1ccc([C@H](C[NH3+])C[NH+](C)C)cc1 ZINC000041264694 188293164 /nfs/dbraw/zinc/29/31/64/188293164.db2.gz JUSKFDLKYIJPON-OAHLLOKOSA-N 2 0 234.387 2.489 10 0 BEAERP CC(C)(C[NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000049816981 188298899 /nfs/dbraw/zinc/29/88/99/188298899.db2.gz KAJKSFIZIFLSTP-UHFFFAOYSA-N 2 0 218.344 2.030 10 0 BEAERP C[NH+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052422753 188332740 /nfs/dbraw/zinc/33/27/40/188332740.db2.gz DYZKLCGLBSCEKE-UHFFFAOYSA-N 2 0 220.341 2.422 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405532266 353796675 /nfs/dbraw/zinc/79/66/75/353796675.db2.gz YMGDCRMGDSALPQ-KGLIPLIRSA-N 2 0 230.355 2.388 10 0 BEAERP NC(=[NH2+])c1cccc(C[NH+]2CCCCCC2)c1 ZINC000019485051 181195764 /nfs/dbraw/zinc/19/57/64/181195764.db2.gz GVYGZDMXWHTWQW-UHFFFAOYSA-N 2 0 231.343 2.347 10 0 BEAERP CC[C@@H]1CN(C/C(C)=C\Cl)CC[C@H]1[NH3+] ZINC000308440364 355578917 /nfs/dbraw/zinc/57/89/17/355578917.db2.gz DXTSYTWHGGURPP-GOLMWGNGSA-N 2 0 216.756 2.188 10 0 BEAERP Cc1ccc(C)c([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000083302956 538467053 /nfs/dbraw/zinc/46/70/53/538467053.db2.gz ITKFKCMRZDXVOC-JSGCOSHPSA-N 2 0 218.344 2.397 10 0 BEAERP CC[N@@H+](Cc1csc(C[NH3+])n1)CC(C)C ZINC000052449746 538470528 /nfs/dbraw/zinc/47/05/28/538470528.db2.gz MNMVPPGWQIVKRX-UHFFFAOYSA-N 2 0 227.377 2.080 10 0 BEAERP C([NH2+]C1CC1)[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051647 538475276 /nfs/dbraw/zinc/47/52/76/538475276.db2.gz WEMYRRVHYCEVBU-TZMCWYRMSA-N 2 0 222.376 2.154 10 0 BEAERP CC(C)[NH+]1CCC([C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059764 538485018 /nfs/dbraw/zinc/48/50/18/538485018.db2.gz LIRZKQKJGPKHJO-TZMCWYRMSA-N 2 0 224.392 2.352 10 0 BEAERP C[C@H]1CCC[N@@H+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675069466 538498486 /nfs/dbraw/zinc/49/84/86/538498486.db2.gz HLEHDHRPAJPWHG-LBPRGKRZSA-N 2 0 222.376 2.251 10 0 BEAERP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000389740505 357023562 /nfs/dbraw/zinc/02/35/62/357023562.db2.gz YPTPNZDJIVLBDT-ABAIWWIYSA-N 2 0 241.338 2.067 10 0 BEAERP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000389740508 357023611 /nfs/dbraw/zinc/02/36/11/357023611.db2.gz YPTPNZDJIVLBDT-IAQYHMDHSA-N 2 0 241.338 2.067 10 0 BEAERP C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000582540709 357338296 /nfs/dbraw/zinc/33/82/96/357338296.db2.gz WVTAZOXEQXNWFF-XQQFMLRXSA-N 2 0 208.349 2.073 10 0 BEAERP C[C@@H]1CCC[C@H](C2=CC[C@]3(C[C@@H]3[NH3+])CC2)[NH2+]1 ZINC000685950411 538894006 /nfs/dbraw/zinc/89/40/06/538894006.db2.gz PEUCOYPEMMRCHQ-RUZUBIRVSA-N 2 0 220.360 2.345 10 0 BEAERP CCC1CC[NH+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000685950568 538894030 /nfs/dbraw/zinc/89/40/30/538894030.db2.gz BFSFYMSQRNZHGV-IMRBUKKESA-N 2 0 224.392 2.352 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCCC[C@@H]1C ZINC000685951049 538894292 /nfs/dbraw/zinc/89/42/92/538894292.db2.gz MIQVNLQGAQUFAL-QNWHQSFQSA-N 2 0 210.365 2.105 10 0 BEAERP CC[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950846 538894297 /nfs/dbraw/zinc/89/42/97/538894297.db2.gz FETHWMACROPDLE-RQJABVFESA-N 2 0 224.392 2.352 10 0 BEAERP CCc1ccc(C[NH2+]CC[C@H](C)[NH3+])s1 ZINC000225377495 358240072 /nfs/dbraw/zinc/24/00/72/358240072.db2.gz OYHAMEQEABNTPD-VIFPVBQESA-N 2 0 212.362 2.137 10 0 BEAERP CCc1ccc(C[NH2+]CC[C@@H](C)[NH3+])s1 ZINC000225377461 358240388 /nfs/dbraw/zinc/24/03/88/358240388.db2.gz OYHAMEQEABNTPD-SECBINFHSA-N 2 0 212.362 2.137 10 0 BEAERP CC[C@H]1CC[C@H](CC[N@H+](C)CC)[NH+](C)C1 ZINC000584627575 358297004 /nfs/dbraw/zinc/29/70/04/358297004.db2.gz XWUGWNNMONIIBW-QWHCGFSZSA-N 2 0 212.381 2.449 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCO1 ZINC000052205537 358776463 /nfs/dbraw/zinc/77/64/63/358776463.db2.gz YDIKTWLMHKGHRG-MELADBBJSA-N 2 0 240.391 2.018 10 0 BEAERP [NH3+]CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000135275573 358828522 /nfs/dbraw/zinc/82/85/22/358828522.db2.gz ROQJOXWHGQZCCU-NSHDSACASA-N 2 0 240.347 2.301 10 0 BEAERP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287050 359518458 /nfs/dbraw/zinc/51/84/58/359518458.db2.gz ZCCZVFYYURWFIW-HUUCEWRRSA-N 2 0 230.355 2.247 10 0 BEAERP CC[C@H](CSC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578518558 366587919 /nfs/dbraw/zinc/58/79/19/366587919.db2.gz UWEIJYYJOUKYGD-IJLUTSLNSA-N 2 0 230.421 2.106 10 0 BEAERP C[C@@H]([NH2+]CC1CC(C)C1)[C@H]1CCC[NH2+]C1 ZINC000622044513 370676863 /nfs/dbraw/zinc/67/68/63/370676863.db2.gz IWBTWSACQVMNDR-KPFVRQRISA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]C1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000040397800 181341221 /nfs/dbraw/zinc/34/12/21/181341221.db2.gz LFGFBFKJGKGGBC-UHFFFAOYSA-N 2 0 210.365 2.426 10 0 BEAERP [NH3+]C1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000040397670 181341396 /nfs/dbraw/zinc/34/13/96/181341396.db2.gz HHGPTQQBEQZKQG-UHFFFAOYSA-N 2 0 224.373 2.355 10 0 BEAERP CO[C@@H]1C[N@H+](CCC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630363757 364080665 /nfs/dbraw/zinc/08/06/65/364080665.db2.gz ZIOILAOVMCNSPB-KBPBESRZSA-N 2 0 240.391 2.005 10 0 BEAERP CO[C@H]1C[N@H+](CCC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630363760 364081302 /nfs/dbraw/zinc/08/13/02/364081302.db2.gz ZIOILAOVMCNSPB-ZIAGYGMSSA-N 2 0 240.391 2.005 10 0 BEAERP [NH3+]CC1(C[N@@H+]2CCCSCC2)CCCCC1 ZINC000051284179 181358704 /nfs/dbraw/zinc/35/87/04/181358704.db2.gz ZKDWMIGKWNDQJA-UHFFFAOYSA-N 2 0 242.432 2.335 10 0 BEAERP [NH3+]CC1([C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000083328854 181361345 /nfs/dbraw/zinc/36/13/45/181361345.db2.gz YOKRXLVIVZAHGM-CQSZACIVSA-N 2 0 230.355 2.390 10 0 BEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574308205 365032942 /nfs/dbraw/zinc/03/29/42/365032942.db2.gz SGGKFFULWKQPAG-KGLIPLIRSA-N 2 0 248.370 2.043 10 0 BEAERP CCCCOCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000574683570 365118479 /nfs/dbraw/zinc/11/84/79/365118479.db2.gz SCUSIQYLQQJZBH-KGLIPLIRSA-N 2 0 242.407 2.171 10 0 BEAERP CC(C)OCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575172841 365227303 /nfs/dbraw/zinc/22/73/03/365227303.db2.gz LPQZRSNQVUXYGO-UONOGXRCSA-N 2 0 242.407 2.169 10 0 BEAERP C[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000581364059 367393965 /nfs/dbraw/zinc/39/39/65/367393965.db2.gz PGKAJYMAMRCLAA-MNOVXSKESA-N 2 0 234.334 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@H]1CCC[NH2+]C1 ZINC000566090832 325992766 /nfs/dbraw/zinc/99/27/66/325992766.db2.gz DIBQBMRSTNZAHA-RWMBFGLXSA-N 2 0 242.432 2.250 10 0 BEAERP CCc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631837394 369093778 /nfs/dbraw/zinc/09/37/78/369093778.db2.gz RZXVYIYBLMLVIM-WFASDCNBSA-N 2 0 232.371 2.276 10 0 BEAERP C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000567645829 326238048 /nfs/dbraw/zinc/23/80/48/326238048.db2.gz AUCGHNNWGBKXIZ-ZJUUUORDSA-N 2 0 238.297 2.307 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)[C@H]1CC[NH2+]C1 ZINC000400102768 369342590 /nfs/dbraw/zinc/34/25/90/369342590.db2.gz GUNUYIKGJXYSNE-IIZVFWCOSA-N 2 0 236.403 2.400 10 0 BEAERP [NH3+]Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000033421647 181485433 /nfs/dbraw/zinc/48/54/33/181485433.db2.gz MELGQSFXTMGIMQ-UHFFFAOYSA-N 2 0 234.343 2.010 10 0 BEAERP c1cc2cc(NC3CC[NH2+]CC3)ccc2c[nH+]1 ZINC000082792272 371037164 /nfs/dbraw/zinc/03/71/64/371037164.db2.gz UMSLQMFEKLYKNI-UHFFFAOYSA-N 2 0 227.311 2.399 10 0 BEAERP C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000631837829 372630188 /nfs/dbraw/zinc/63/01/88/372630188.db2.gz FYGCXUVPJRURON-NWDGAFQWSA-N 2 0 212.381 2.339 10 0 BEAERP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838932 372633690 /nfs/dbraw/zinc/63/36/90/372633690.db2.gz XFNPIURGBFOAOT-XQQFMLRXSA-N 2 0 212.381 2.195 10 0 BEAERP Cc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843881 372640188 /nfs/dbraw/zinc/64/01/88/372640188.db2.gz STYARPQHRUTRHL-JSGCOSHPSA-N 2 0 218.344 2.022 10 0 BEAERP C[C@H]1CCC[C@H](C[NH3+])N1Cc1ccccc1 ZINC000069721355 373648091 /nfs/dbraw/zinc/64/80/91/373648091.db2.gz AZKQWCPTAGSIIP-GXTWGEPZSA-N 2 0 218.344 2.388 10 0 BEAERP C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1ccccc1 ZINC000069721358 373648644 /nfs/dbraw/zinc/64/86/44/373648644.db2.gz AZKQWCPTAGSIIP-OCCSQVGLSA-N 2 0 218.344 2.388 10 0 BEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)CCOC)CC1 ZINC000122792728 169186432 /nfs/dbraw/zinc/18/64/32/169186432.db2.gz ISRJBPGKOHHTMV-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH+]1CCC(Nc2[nH+]ccn2CC)CC1 ZINC000050614243 169189493 /nfs/dbraw/zinc/18/94/93/169189493.db2.gz XSGRIIFSFJLBTG-UHFFFAOYSA-N 2 0 236.363 2.189 10 0 BEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC ZINC000054603113 169255779 /nfs/dbraw/zinc/25/57/79/169255779.db2.gz ADPLHAULVQPVGL-AGUYFDCRSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[NH2+]CCCCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000052477295 169256993 /nfs/dbraw/zinc/25/69/93/169256993.db2.gz XCNAEOWFPHCINA-AWEZNQCLSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[NH2+][C@H](CCC)CN(C)CCC[NH+](C)C ZINC000104191054 169288818 /nfs/dbraw/zinc/28/88/18/169288818.db2.gz XQIVNZLYJPBFBM-CQSZACIVSA-N 2 0 243.439 2.038 10 0 BEAERP c1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000076677789 183397972 /nfs/dbraw/zinc/39/79/72/183397972.db2.gz BUXOLSLXVAQEEE-HUUCEWRRSA-N 2 0 230.355 2.261 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1C ZINC000052210773 169282138 /nfs/dbraw/zinc/28/21/38/169282138.db2.gz VNMGMFAOWYPYHT-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP CCCO[C@@H]1CCC[N@H+](CCCC[NH2+]CC)C1 ZINC000052371475 169311249 /nfs/dbraw/zinc/31/12/49/169311249.db2.gz JAAUCXSKBIQWDP-CQSZACIVSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[NH2+][C@H]1CC[N@@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711435 169291341 /nfs/dbraw/zinc/29/13/41/169291341.db2.gz YWXVNLIRQVIMCJ-OLZOCXBDSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485301 169359820 /nfs/dbraw/zinc/35/98/20/169359820.db2.gz BXPNRSGGPVBGPE-OLZOCXBDSA-N 2 0 224.392 2.497 10 0 BEAERP CCC[C@@H](C)C[C@H](C[NH3+])C1CC[NH2+]CC1 ZINC000068591332 169361735 /nfs/dbraw/zinc/36/17/35/169361735.db2.gz PBDIYGWOEZYYIV-DGCLKSJQSA-N 2 0 212.381 2.387 10 0 BEAERP CCC[C@@H]([NH3+])[C@@H](CC)N(C)Cc1ccccn1 ZINC000036777344 169392785 /nfs/dbraw/zinc/39/27/85/169392785.db2.gz CDSJVUJUHHWQSK-ZIAGYGMSSA-N 2 0 235.375 2.419 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000348149544 383900830 /nfs/dbraw/zinc/90/08/30/383900830.db2.gz KDASVDATUQJTTP-MHDGFBEUSA-N 2 0 222.376 2.247 10 0 BEAERP CCC[C@H](C)C[C@@H](C[NH3+])C1CC[NH2+]CC1 ZINC000068591329 384002213 /nfs/dbraw/zinc/00/22/13/384002213.db2.gz PBDIYGWOEZYYIV-AAEUAGOBSA-N 2 0 212.381 2.387 10 0 BEAERP CCC[C@H](C)C[C@H](C[NH3+])C1CC[NH2+]CC1 ZINC000068591335 384003271 /nfs/dbraw/zinc/00/32/71/384003271.db2.gz PBDIYGWOEZYYIV-WCQYABFASA-N 2 0 212.381 2.387 10 0 BEAERP Cc1ccc2[nH+]ccc(N3CCC[NH2+]CC3)c2c1 ZINC000073738617 384022404 /nfs/dbraw/zinc/02/24/04/384022404.db2.gz HTGZHTBBGIJMRW-UHFFFAOYSA-N 2 0 241.338 2.343 10 0 BEAERP C[C@H](c1ccco1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309454192 384087155 /nfs/dbraw/zinc/08/71/55/384087155.db2.gz RVXJMFUNFUGXRO-NQBHXWOUSA-N 2 0 222.332 2.257 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCCSC)[C@H](C)C1 ZINC000133619051 384255345 /nfs/dbraw/zinc/25/53/45/384255345.db2.gz YGWJQASXJPGHBT-CHWSQXEVSA-N 2 0 244.448 2.450 10 0 BEAERP [NH3+]C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000335581073 384343510 /nfs/dbraw/zinc/34/35/10/384343510.db2.gz MQDWTFHPOPOASL-NWDGAFQWSA-N 2 0 241.338 2.196 10 0 BEAERP CC(C)C1CC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000309223102 384471198 /nfs/dbraw/zinc/47/11/98/384471198.db2.gz ZBNXPVJVDCXZMF-BLYZHGLHSA-N 2 0 224.392 2.338 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000100256562 384628331 /nfs/dbraw/zinc/62/83/31/384628331.db2.gz ATRGEZAPTSAXQR-GARJFASQSA-N 2 0 208.305 2.200 10 0 BEAERP C[N@@H+]1C=C[C@H](C[NH3+])C=C1Cc1ccccc1 ZINC000100271505 384630673 /nfs/dbraw/zinc/63/06/73/384630673.db2.gz SZRAFFVEQWNMNY-ZDUSSCGKSA-N 2 0 214.312 2.147 10 0 BEAERP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000052275136 384727193 /nfs/dbraw/zinc/72/71/93/384727193.db2.gz KHTYPFSDARRSGL-FVQBIDKESA-N 2 0 244.382 2.301 10 0 BEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398325347 384704689 /nfs/dbraw/zinc/70/46/89/384704689.db2.gz OBSJPLNZYOFCLD-CQSZACIVSA-N 2 0 248.370 2.173 10 0 BEAERP [NH3+]Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000011961750 384735264 /nfs/dbraw/zinc/73/52/64/384735264.db2.gz VJMGMPCAXQJWNW-UHFFFAOYSA-N 2 0 234.343 2.010 10 0 BEAERP CCSCC[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000336756667 384854242 /nfs/dbraw/zinc/85/42/42/384854242.db2.gz IXOCXUCJYCPOMP-VXGBXAGGSA-N 2 0 230.421 2.058 10 0 BEAERP CC(C)CC(C)(C)C[NH2+]C1CC[NH2+]CC1 ZINC000258979267 384955254 /nfs/dbraw/zinc/95/52/54/384955254.db2.gz LXPFACHKIQGGJS-UHFFFAOYSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000398335601 384931433 /nfs/dbraw/zinc/93/14/33/384931433.db2.gz KGZSPMPTPVGQLC-UPJWGTAASA-N 2 0 210.365 2.012 10 0 BEAERP Clc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000258818277 384940611 /nfs/dbraw/zinc/94/06/11/384940611.db2.gz FAADCYBMGDZDGV-NSHDSACASA-N 2 0 224.735 2.039 10 0 BEAERP [NH3+]CCc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000033424967 384997460 /nfs/dbraw/zinc/99/74/60/384997460.db2.gz JCINVJGOQZAQOV-UHFFFAOYSA-N 2 0 248.370 2.053 10 0 BEAERP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309038126 385376229 /nfs/dbraw/zinc/37/62/29/385376229.db2.gz JITXRCLRLCOZFX-NEPJUHHUSA-N 2 0 216.344 2.056 10 0 BEAERP CCCC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000394612767 385418697 /nfs/dbraw/zinc/41/86/97/385418697.db2.gz INEZGAKVRWJXEJ-FRRDWIJNSA-N 2 0 212.381 2.482 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000647804254 385841495 /nfs/dbraw/zinc/84/14/95/385841495.db2.gz MRMNKIYOVUGXQB-RYMFRWLXSA-N 2 0 222.376 2.153 10 0 BEAERP CC(C)CC[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000112530908 385845373 /nfs/dbraw/zinc/84/53/73/385845373.db2.gz KCPMZTNSVSAICQ-CQSZACIVSA-N 2 0 224.392 2.497 10 0 BEAERP CCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000336752311 386015848 /nfs/dbraw/zinc/01/58/48/386015848.db2.gz GDTQARWGNHRFDB-QWHCGFSZSA-N 2 0 212.381 2.497 10 0 BEAERP Cc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062911010 386532098 /nfs/dbraw/zinc/53/20/98/386532098.db2.gz IQVYDUXUHXYXJD-HNNXBMFYSA-N 2 0 232.371 2.426 10 0 BEAERP C[C@@H]1C[C@@H](C[NH2+]C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000335498942 386625853 /nfs/dbraw/zinc/62/58/53/386625853.db2.gz ZGQXDFKGMLLHGF-NSQMUIRCSA-N 2 0 240.391 2.050 10 0 BEAERP CC(C)([NH3+])C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050348998 386671455 /nfs/dbraw/zinc/67/14/55/386671455.db2.gz SLSIDJOJAZLOPO-UHFFFAOYSA-N 2 0 212.381 2.482 10 0 BEAERP CCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826616 386686523 /nfs/dbraw/zinc/68/65/23/386686523.db2.gz JHJLLRZHEKRCCQ-ACJTYDJDSA-N 2 0 210.365 2.438 10 0 BEAERP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000395355304 386821524 /nfs/dbraw/zinc/82/15/24/386821524.db2.gz USJJKGZHSSHHDU-JHJVBQTASA-N 2 0 210.365 2.153 10 0 BEAERP C([NH2+]CC1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000398384998 386815928 /nfs/dbraw/zinc/81/59/28/386815928.db2.gz IOJXVESUIROBIC-CYBMUJFWSA-N 2 0 210.365 2.156 10 0 BEAERP [NH3+]CCCC[NH2+]Cc1cccc2cnccc21 ZINC000061125350 1172656655 /nfs/dbraw/zinc/65/66/55/1172656655.db2.gz IMAPLQWBOFWTHG-UHFFFAOYSA-N 2 0 229.327 2.063 10 0 BEAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])c(C)c1 ZINC000575439286 387122065 /nfs/dbraw/zinc/12/20/65/387122065.db2.gz QXJRLZCGIPIGQU-ZDUSSCGKSA-N 2 0 222.332 2.132 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])c(F)c1F ZINC000575439604 387124018 /nfs/dbraw/zinc/12/40/18/387124018.db2.gz VCDDOKSROQAWOE-JTQLQIEISA-N 2 0 228.286 2.402 10 0 BEAERP Cc1ccc([C@H]([NH3+])CC[NH3+])cc1Br ZINC000575439420 387124567 /nfs/dbraw/zinc/12/45/67/387124567.db2.gz JVAVVEUUQWPYEB-SNVBAGLBSA-N 2 0 243.148 2.106 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(Cl)c1F ZINC000575439850 387125311 /nfs/dbraw/zinc/12/53/11/387125311.db2.gz YTTFKXKWJULURW-SECBINFHSA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000575438489 387128645 /nfs/dbraw/zinc/12/86/45/387128645.db2.gz JVUIUOBALOKWRJ-LLVKDONJSA-N 2 0 214.259 2.094 10 0 BEAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423302181 387134659 /nfs/dbraw/zinc/13/46/59/387134659.db2.gz JEJYIQVZLPFBOE-KWCYVHTRSA-N 2 0 224.392 2.256 10 0 BEAERP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000643453663 387370418 /nfs/dbraw/zinc/37/04/18/387370418.db2.gz QBXJJJVHKCSINS-NWANDNLSSA-N 2 0 244.382 2.304 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000643468320 387418605 /nfs/dbraw/zinc/41/86/05/387418605.db2.gz QBALEEIXAUISHF-MDZLAQPJSA-N 2 0 210.365 2.010 10 0 BEAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000643468258 387419500 /nfs/dbraw/zinc/41/95/00/387419500.db2.gz AZPXXAVLQURTEW-AVGNSLFASA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400709929 387565031 /nfs/dbraw/zinc/56/50/31/387565031.db2.gz LWYNZBCPMQRCCK-WOPDTQHZSA-N 2 0 238.400 2.267 10 0 BEAERP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978075 387789587 /nfs/dbraw/zinc/78/95/87/387789587.db2.gz GTUZOBMPPPXSQV-UONOGXRCSA-N 2 0 248.370 2.186 10 0 BEAERP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978076 387790103 /nfs/dbraw/zinc/79/01/03/387790103.db2.gz GTUZOBMPPPXSQV-ZIAGYGMSSA-N 2 0 248.370 2.186 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000422986870 387795516 /nfs/dbraw/zinc/79/55/16/387795516.db2.gz DNMLHUYUVHPUKP-GARJFASQSA-N 2 0 232.318 2.152 10 0 BEAERP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423090748 387882835 /nfs/dbraw/zinc/88/28/35/387882835.db2.gz WAQKPITYUPOCQI-WCQYABFASA-N 2 0 210.365 2.297 10 0 BEAERP Cc1cccnc1CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423149711 387928327 /nfs/dbraw/zinc/92/83/27/387928327.db2.gz HRRCOUFHJDOGJQ-AWEZNQCLSA-N 2 0 247.386 2.054 10 0 BEAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC1(C)C ZINC000423209984 387994677 /nfs/dbraw/zinc/99/46/77/387994677.db2.gz GNMLBPDGIRBVSB-GVWAJWJKSA-N 2 0 222.376 2.294 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400558250 388030059 /nfs/dbraw/zinc/03/00/59/388030059.db2.gz ZTMAYHDDNXOIFH-KSTCHIGDSA-N 2 0 224.392 2.399 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393943845 388447118 /nfs/dbraw/zinc/44/71/18/388447118.db2.gz CKUZDPSZJNLYIS-XJFOESAGSA-N 2 0 222.376 2.391 10 0 BEAERP CC(C)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336683438 388461503 /nfs/dbraw/zinc/46/15/03/388461503.db2.gz IVPOSSPCLJGCPM-NWDGAFQWSA-N 2 0 200.370 2.208 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC1(C)C ZINC000397606929 388483285 /nfs/dbraw/zinc/48/32/85/388483285.db2.gz ALFFDRXXRKHJGE-NNYUYHANSA-N 2 0 210.365 2.138 10 0 BEAERP Cc1cc(N[C@@H](C[NH3+])CC(C)C)cc[nH+]1 ZINC000229575314 388794761 /nfs/dbraw/zinc/79/47/61/388794761.db2.gz HNFLIQVHMRBMOI-GFCCVEGCSA-N 2 0 207.321 2.175 10 0 BEAERP C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400323986 533356426 /nfs/dbraw/zinc/35/64/26/533356426.db2.gz BXMXHRVNXDWELE-VXGBXAGGSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400359347 533366101 /nfs/dbraw/zinc/36/61/01/533366101.db2.gz CNJJYURANQCKIW-GHMZBOCLSA-N 2 0 224.392 2.256 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000400483133 533501126 /nfs/dbraw/zinc/50/11/26/533501126.db2.gz WRHMLCPKZGTXBX-MDZLAQPJSA-N 2 0 210.365 2.153 10 0 BEAERP CC(C)[NH+]1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000036190048 132340807 /nfs/dbraw/zinc/34/08/07/132340807.db2.gz XOSUZPMBHCXDRV-ZDUSSCGKSA-N 2 0 247.386 2.237 10 0 BEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccs1 ZINC000234751781 134585030 /nfs/dbraw/zinc/58/50/30/134585030.db2.gz QAQFKQIVAZZXHP-GHMZBOCLSA-N 2 0 242.388 2.153 10 0 BEAERP CC1(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261530836 135159397 /nfs/dbraw/zinc/15/93/97/135159397.db2.gz DGQDOQFWEMIUGA-NSHDSACASA-N 2 0 210.365 2.236 10 0 BEAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538297 135175530 /nfs/dbraw/zinc/17/55/30/135175530.db2.gz XHEVUKUFKDFWSI-SDDRHHMPSA-N 2 0 246.345 2.481 10 0 BEAERP CC(C)[NH2+]CC1(C[N@H+](C)C(C)C)CCOCC1 ZINC000052180880 167099239 /nfs/dbraw/zinc/09/92/39/167099239.db2.gz DUUSFXRPCFBBCO-UHFFFAOYSA-N 2 0 242.407 2.121 10 0 BEAERP CC[N@H+](CCC[NH3+])Cc1ccc(C)cc1 ZINC000036731800 487568135 /nfs/dbraw/zinc/56/81/35/487568135.db2.gz KVZFSVVKBHMLED-UHFFFAOYSA-N 2 0 206.333 2.166 10 0 BEAERP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394486494 410795780 /nfs/dbraw/zinc/79/57/80/410795780.db2.gz HSMDQQVNBRFMAU-SDDRHHMPSA-N 2 0 246.345 2.481 10 0 BEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000061935664 167102688 /nfs/dbraw/zinc/10/26/88/167102688.db2.gz KXTHYHAZWSOLGB-CQSZACIVSA-N 2 0 242.407 2.266 10 0 BEAERP CCN(CC[NH3+])c1cc(C)[nH+]c2ccccc21 ZINC000104324362 410931994 /nfs/dbraw/zinc/93/19/94/410931994.db2.gz UTURVRWLWVHJMK-UHFFFAOYSA-N 2 0 229.327 2.328 10 0 BEAERP c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129115288 411229865 /nfs/dbraw/zinc/22/98/65/411229865.db2.gz NEOXQYHWGPUPDI-KGLIPLIRSA-N 2 0 230.355 2.058 10 0 BEAERP CC1CC[NH+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764258 168179155 /nfs/dbraw/zinc/17/91/55/168179155.db2.gz IKYHQJCHRIQBOP-ZDUSSCGKSA-N 2 0 210.365 2.251 10 0 BEAERP CC1CC[NH+](CCNc2cc[nH+]cc2)CC1 ZINC000040772428 168181178 /nfs/dbraw/zinc/18/11/78/168181178.db2.gz GEOMYNCAEHNJOG-UHFFFAOYSA-N 2 0 219.332 2.225 10 0 BEAERP CC1CC[NH+](C[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000053860890 168182927 /nfs/dbraw/zinc/18/29/27/168182927.db2.gz JTFYLZMGHNQAOL-IHRRRGAJSA-N 2 0 224.392 2.482 10 0 BEAERP CC1CC[NH+](C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000058081664 168183232 /nfs/dbraw/zinc/18/32/32/168183232.db2.gz VEBBQEWMYSTPOY-CHWSQXEVSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503014 168183594 /nfs/dbraw/zinc/18/35/94/168183594.db2.gz RFPGOHNYRIPBOP-CHWSQXEVSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000019473701 168183871 /nfs/dbraw/zinc/18/38/71/168183871.db2.gz WYDFRISCPQWGNE-UHFFFAOYSA-N 2 0 249.333 2.342 10 0 BEAERP C[C@H](C[NH3+])c1ccc(C[NH+]2CCCC2)cc1 ZINC000083008025 411464131 /nfs/dbraw/zinc/46/41/31/411464131.db2.gz RMHXMDCUQXAVRK-GFCCVEGCSA-N 2 0 218.344 2.345 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073653865 170019881 /nfs/dbraw/zinc/01/98/81/170019881.db2.gz PPICIUYARLKCGY-OLZOCXBDSA-N 2 0 210.365 2.203 10 0 BEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC000054603346 170109949 /nfs/dbraw/zinc/10/99/49/170109949.db2.gz JTPUBAIGJQSJOK-YHWZYXNKSA-N 2 0 210.365 2.247 10 0 BEAERP CC[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccncc1 ZINC000052480981 170112285 /nfs/dbraw/zinc/11/22/85/170112285.db2.gz OVNPALFRGOAMNO-ZDUSSCGKSA-N 2 0 235.375 2.292 10 0 BEAERP CC[NH2+]C[C@@]1(C[N@H+](C)[C@@H](C)CC)CCCOC1 ZINC000104308984 170121354 /nfs/dbraw/zinc/12/13/54/170121354.db2.gz YHNMUBVRELQJDM-UONOGXRCSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382038 170123274 /nfs/dbraw/zinc/12/32/74/170123274.db2.gz VDIUHXADJIVSBD-ZIAGYGMSSA-N 2 0 240.391 2.020 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](CC)[C@@H](C)COC ZINC000053871460 170151173 /nfs/dbraw/zinc/15/11/73/170151173.db2.gz GZCNVJYWNPIWAY-MELADBBJSA-N 2 0 242.407 2.121 10 0 BEAERP CCOCCC[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000053486075 170380151 /nfs/dbraw/zinc/38/01/51/170380151.db2.gz UTDICMQVFNESEM-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000042824613 171013049 /nfs/dbraw/zinc/01/30/49/171013049.db2.gz RHJKQGASHJXDBL-KGLIPLIRSA-N 2 0 240.391 2.020 10 0 BEAERP CC[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)CCC[NH2+]1 ZINC000049666149 171013730 /nfs/dbraw/zinc/01/37/30/171013730.db2.gz FCQAEOGNTNKZPD-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP CC[C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000045136716 171014257 /nfs/dbraw/zinc/01/42/57/171014257.db2.gz XQFGSEPKOYRCAF-VXGBXAGGSA-N 2 0 210.365 2.249 10 0 BEAERP CC[C@@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000070643947 171041027 /nfs/dbraw/zinc/04/10/27/171041027.db2.gz CYNAWBJZZAQDNS-IKWCTNDRSA-N 2 0 210.365 2.425 10 0 BEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128004 171110422 /nfs/dbraw/zinc/11/04/22/171110422.db2.gz FEAZIDNFVDVTPC-REWJHTLYSA-N 2 0 240.391 2.003 10 0 BEAERP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)CCCOC ZINC000062035353 171166609 /nfs/dbraw/zinc/16/66/09/171166609.db2.gz WWNXBIZGSCIBHQ-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@@]1(C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000062861783 171210261 /nfs/dbraw/zinc/21/02/61/171210261.db2.gz QILZTQCJZGTQSZ-CYBMUJFWSA-N 2 0 210.365 2.252 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000042581336 171315896 /nfs/dbraw/zinc/31/58/96/171315896.db2.gz FIBZVIGROUGGQK-ZOBORPQBSA-N 2 0 242.407 2.249 10 0 BEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000665236392 412176383 /nfs/dbraw/zinc/17/63/83/412176383.db2.gz LVRVKFLJYAHIIU-SRVKXCTJSA-N 2 0 212.381 2.399 10 0 BEAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000665245894 412191357 /nfs/dbraw/zinc/19/13/57/412191357.db2.gz UEFORTDRSJBBSU-UKRRQHHQSA-N 2 0 232.371 2.391 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665265671 412208911 /nfs/dbraw/zinc/20/89/11/412208911.db2.gz ZAXVZOXMGIZBLA-DCAQKATOSA-N 2 0 232.318 2.009 10 0 BEAERP C[C@@H]([NH2+]CC1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000665274538 412217335 /nfs/dbraw/zinc/21/73/35/412217335.db2.gz SDQKOSVGJNMSPO-YPMHNXCESA-N 2 0 208.349 2.074 10 0 BEAERP C1CC(C2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)C1 ZINC000665284009 412229551 /nfs/dbraw/zinc/22/95/51/412229551.db2.gz YTFYMMVLHIJCHG-JXQTWKCFSA-N 2 0 222.376 2.297 10 0 BEAERP C[N@@H+]1CCCC[C@@H]1COc1ccccc1C[NH3+] ZINC000020352413 173008534 /nfs/dbraw/zinc/00/85/34/173008534.db2.gz RSKIKWUPLONSHA-CYBMUJFWSA-N 2 0 234.343 2.008 10 0 BEAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203759 173037411 /nfs/dbraw/zinc/03/74/11/173037411.db2.gz PGPJLFCSSHKVMW-NEPJUHHUSA-N 2 0 246.345 2.448 10 0 BEAERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])C2CCCCC2)C1 ZINC000062992136 173042725 /nfs/dbraw/zinc/04/27/25/173042725.db2.gz LKXWBGDXTKDXIW-GFCCVEGCSA-N 2 0 237.391 2.475 10 0 BEAERP CN1CC[C@@H]([NH+](C)C)[C@H](c2ccccc2)C1 ZINC000039109998 173117012 /nfs/dbraw/zinc/11/70/12/173117012.db2.gz DUXQDTZEIPNHRZ-UONOGXRCSA-N 2 0 218.344 2.036 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484660 173146697 /nfs/dbraw/zinc/14/66/97/173146697.db2.gz YDWKBNMCYXJGRN-CYBMUJFWSA-N 2 0 210.365 2.108 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000045630714 173323210 /nfs/dbraw/zinc/32/32/10/173323210.db2.gz XLDLUWVYKDDWDR-GFCCVEGCSA-N 2 0 208.349 2.027 10 0 BEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H](C)C2)CCCC1 ZINC000051210083 173337369 /nfs/dbraw/zinc/33/73/69/173337369.db2.gz RCLDDIRUIVPPNL-ZDUSSCGKSA-N 2 0 224.392 2.498 10 0 BEAERP C[NH2+]CC1(C[NH+]2CCC(C)CC2)CCCC1 ZINC000051207800 173338043 /nfs/dbraw/zinc/33/80/43/173338043.db2.gz XJABEEXXUXMRIH-UHFFFAOYSA-N 2 0 224.392 2.498 10 0 BEAERP C[NH2+]CCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042409659 173347306 /nfs/dbraw/zinc/34/73/06/173347306.db2.gz GJJAFUVRHQJJBH-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000040592280 173378754 /nfs/dbraw/zinc/37/87/54/173378754.db2.gz WJTNXAMNMIOTQZ-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1C ZINC000052376133 173390723 /nfs/dbraw/zinc/39/07/23/173390723.db2.gz GZXCKNGFJBPCRH-LBPRGKRZSA-N 2 0 218.344 2.390 10 0 BEAERP COC1CC[NH+](CCC[NH2+]C2CCCC2)CC1 ZINC000053499109 174028092 /nfs/dbraw/zinc/02/80/92/174028092.db2.gz UEOAFBPVOFLVQO-UHFFFAOYSA-N 2 0 240.391 2.020 10 0 BEAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)cc1 ZINC000037646157 175177034 /nfs/dbraw/zinc/17/70/34/175177034.db2.gz UNDVNAGJIUOELQ-CHWSQXEVSA-N 2 0 248.370 2.298 10 0 BEAERP COc1cccc(C[N@H+](C)CCCCC[NH3+])c1 ZINC000049580771 175254395 /nfs/dbraw/zinc/25/43/95/175254395.db2.gz AZRHPUCLUGSRPL-UHFFFAOYSA-N 2 0 236.359 2.256 10 0 BEAERP COc1cccc(C[N@H+](CCC[NH3+])C(C)C)c1 ZINC000036731971 175257562 /nfs/dbraw/zinc/25/75/62/175257562.db2.gz MHJUMMIOLBZLRY-UHFFFAOYSA-N 2 0 236.359 2.254 10 0 BEAERP COc1cccc(C[N@@H+]2CCC[NH2+]C[C@@H](C)C2)c1 ZINC000049666963 175258241 /nfs/dbraw/zinc/25/82/41/175258241.db2.gz RQEGLUNJXBPATE-CYBMUJFWSA-N 2 0 248.370 2.127 10 0 BEAERP COc1cccc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044511709 175286587 /nfs/dbraw/zinc/28/65/87/175286587.db2.gz VUKKALIDEVKYRB-GFCCVEGCSA-N 2 0 248.370 2.427 10 0 BEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)C1CCOCC1 ZINC000052481229 175666407 /nfs/dbraw/zinc/66/64/07/175666407.db2.gz NZXXZTRRODWAGO-LBPRGKRZSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000010435490 175731633 /nfs/dbraw/zinc/73/16/33/175731633.db2.gz QCMASUYXEVDFSD-ZDUSSCGKSA-N 2 0 232.371 2.379 10 0 BEAERP C[C@@H](c1cccs1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000049717086 176032851 /nfs/dbraw/zinc/03/28/51/176032851.db2.gz OCDCTKMOISDFDX-QWRGUYRKSA-N 2 0 224.373 2.493 10 0 BEAERP C[C@@H](c1ccsc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050345219 176035821 /nfs/dbraw/zinc/03/58/21/176035821.db2.gz RLIPSNRALZYCOO-VHSXEESVSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCCO1 ZINC000020047780 176071140 /nfs/dbraw/zinc/07/11/40/176071140.db2.gz QQLSGEMUSWULLI-KGLIPLIRSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(C[NH3+])CC1 ZINC000044511937 176078429 /nfs/dbraw/zinc/07/84/29/176078429.db2.gz ISXLQVINGCMJML-YPMHNXCESA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CCC[N@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764275 176098786 /nfs/dbraw/zinc/09/87/86/176098786.db2.gz JQHMZUZKSVFCHQ-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1CCC[C@@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911749 176120269 /nfs/dbraw/zinc/12/02/69/176120269.db2.gz OIVQKZLRNVMPBW-MGPQQGTHSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)[C@@H]1C ZINC000034689346 176141667 /nfs/dbraw/zinc/14/16/67/176141667.db2.gz SCHRUNVVTQECAO-LPWJVIDDSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]1CC[NH+](C2CCCC2)CC[C@@H](C)[NH2+]1 ZINC000049664898 176166664 /nfs/dbraw/zinc/16/66/64/176166664.db2.gz CEESMZWRVLGDIL-VXGBXAGGSA-N 2 0 210.365 2.391 10 0 BEAERP C[C@@H]1CC[N@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000051249962 176168348 /nfs/dbraw/zinc/16/83/48/176168348.db2.gz DOZWUAMBRFMSNE-GFCCVEGCSA-N 2 0 210.365 2.237 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])o2)[C@H](C)C1 ZINC000052509985 176173883 /nfs/dbraw/zinc/17/38/83/176173883.db2.gz NQPKOEHWWUUCGV-GHMZBOCLSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000042427360 176224405 /nfs/dbraw/zinc/22/44/05/176224405.db2.gz TYQOEBOKARBTQU-TZMCWYRMSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000051987310 176315639 /nfs/dbraw/zinc/31/56/39/176315639.db2.gz CGPKWJIFCNYTEK-KWCYVHTRSA-N 2 0 246.354 2.179 10 0 BEAERP C[C@@H]1C[NH2+]CC[N@H+](CCCc2ccccc2)C1 ZINC000049662213 176325345 /nfs/dbraw/zinc/32/53/45/176325345.db2.gz TVIDWWTYUFPIQP-CQSZACIVSA-N 2 0 232.371 2.161 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCc2ccccc2)C1 ZINC000049664786 176328739 /nfs/dbraw/zinc/32/87/39/176328739.db2.gz ZLVXTJRIKIOLQQ-HUUCEWRRSA-N 2 0 246.398 2.407 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764252 176360651 /nfs/dbraw/zinc/36/06/51/176360651.db2.gz FKDUKLRXMMRFNB-MCIONIFRSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1C[C@@H]([NH2+]CCc2ccsc2)CC[N@@H+]1C ZINC000122954129 176376896 /nfs/dbraw/zinc/37/68/96/176376896.db2.gz TYJWKBLICMHHOE-YPMHNXCESA-N 2 0 238.400 2.363 10 0 BEAERP C[C@H](C[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)C[NH+]1CCCC1 ZINC000071138606 176684355 /nfs/dbraw/zinc/68/43/55/176684355.db2.gz ISXDGSBFSHRRLA-APIJFGDWSA-N 2 0 234.387 2.273 10 0 BEAERP C[C@H](c1ccccc1)N1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679643 177040524 /nfs/dbraw/zinc/04/05/24/177040524.db2.gz ZOAMJHJHQLZVFS-OCCSQVGLSA-N 2 0 248.370 2.186 10 0 BEAERP C[C@H](c1ccco1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256826 177048530 /nfs/dbraw/zinc/04/85/30/177048530.db2.gz QIXMJKHXVYDBKK-MNOVXSKESA-N 2 0 208.305 2.011 10 0 BEAERP C[C@H](c1cccs1)N1CCC[C@@H]([NH3+])C1 ZINC000100256883 177049462 /nfs/dbraw/zinc/04/94/62/177049462.db2.gz GDFXQLRAYRSHNS-NXEZZACHSA-N 2 0 210.346 2.232 10 0 BEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCCO1 ZINC000020047783 177074865 /nfs/dbraw/zinc/07/48/65/177074865.db2.gz QQLSGEMUSWULLI-KBPBESRZSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@H]1CCCC[C@@H]1C[NH+]1CCC[NH2+]CCC1 ZINC000042867339 177079654 /nfs/dbraw/zinc/07/96/54/177079654.db2.gz CFOVPAXGHVIEDF-UONOGXRCSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546784 177087148 /nfs/dbraw/zinc/08/71/48/177087148.db2.gz PAPRFCMAHHTBNA-GXFFZTMASA-N 2 0 237.347 2.144 10 0 BEAERP C[C@@H](C[NH2+]C1CCCC1)N1CCC[C@@H]1C ZINC000053448121 177111876 /nfs/dbraw/zinc/11/18/76/177111876.db2.gz JBUUZNUPAQKEOJ-RYUDHWBXSA-N 2 0 210.365 2.391 10 0 BEAERP C[C@@H]1CC[N@@H+](CC(C)(C)C)CC[C@H](C)[NH2+]1 ZINC000049667086 177159058 /nfs/dbraw/zinc/15/90/58/177159058.db2.gz DKQMUVPNAURAKK-TXEJJXNPSA-N 2 0 212.381 2.495 10 0 BEAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052509987 177164173 /nfs/dbraw/zinc/16/41/73/177164173.db2.gz NQPKOEHWWUUCGV-WDEREUQCSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000044412937 177188925 /nfs/dbraw/zinc/18/89/25/177188925.db2.gz XIPMFJXMWYKXRY-AAEUAGOBSA-N 2 0 236.334 2.385 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC1CCCC1 ZINC000042427490 177189888 /nfs/dbraw/zinc/18/98/88/177189888.db2.gz PPPDKNRTKUJMCH-AAEUAGOBSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000042427361 177200804 /nfs/dbraw/zinc/20/08/04/177200804.db2.gz TYQOEBOKARBTQU-GXTWGEPZSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000094342203 177241239 /nfs/dbraw/zinc/24/12/39/177241239.db2.gz YMPMBDKWTYYQOB-MNOINKQASA-N 2 0 230.355 2.369 10 0 BEAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000062609104 177274065 /nfs/dbraw/zinc/27/40/65/177274065.db2.gz GLJUBZMTNAQDNG-STQMWFEESA-N 2 0 218.344 2.431 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CC(C)(C)C)C1 ZINC000049667095 177285584 /nfs/dbraw/zinc/28/55/84/177285584.db2.gz ZTBUGKWPMYPZLF-RYUDHWBXSA-N 2 0 212.381 2.210 10 0 BEAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccsc1 ZINC000049713600 177326455 /nfs/dbraw/zinc/32/64/55/177326455.db2.gz NXYDQHHFOQCQHP-JQWIXIFHSA-N 2 0 224.373 2.102 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](CC2(C[NH3+])CCC2)C1 ZINC000058082585 177358590 /nfs/dbraw/zinc/35/85/90/177358590.db2.gz SNQOPQGTOHNXKQ-RYUDHWBXSA-N 2 0 210.365 2.093 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400359821 225066168 /nfs/dbraw/zinc/06/61/68/225066168.db2.gz CQRJZPQVGIMLSN-BJJPWKGXSA-N 2 0 224.392 2.399 10 0 BEAERP Cc1ccccc1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400328525 226340827 /nfs/dbraw/zinc/34/08/27/226340827.db2.gz BCNWOPJALMFQLV-ZFWWWQNUSA-N 2 0 232.371 2.125 10 0 BEAERP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400347722 226341311 /nfs/dbraw/zinc/34/13/11/226341311.db2.gz IFXOHRJNOLCYLI-ZFWWWQNUSA-N 2 0 232.371 2.125 10 0 BEAERP C[C@H](CCC1CC1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400353852 226341821 /nfs/dbraw/zinc/34/18/21/226341821.db2.gz LKLTXCVBZMADSW-WZRBSPASSA-N 2 0 210.365 2.153 10 0 BEAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400444227 226343619 /nfs/dbraw/zinc/34/36/19/226343619.db2.gz NDSIWXBKSSRKIZ-SGMGOOAPSA-N 2 0 248.370 2.344 10 0 BEAERP C[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CC[NH2+]C1 ZINC000400505684 226345475 /nfs/dbraw/zinc/34/54/75/226345475.db2.gz DEKGWVJSCRLWDW-UWVGGRQHSA-N 2 0 220.307 2.009 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400558244 226346429 /nfs/dbraw/zinc/34/64/29/226346429.db2.gz ZTMAYHDDNXOIFH-ITGHMWBKSA-N 2 0 224.392 2.399 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400534683 229150893 /nfs/dbraw/zinc/15/08/93/229150893.db2.gz SRBGQRMVXPZWER-XJFOESAGSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089147853 487763344 /nfs/dbraw/zinc/76/33/44/487763344.db2.gz RHCJYCKPJRMLCA-YRGRVCCFSA-N 2 0 236.359 2.318 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252872423 487836935 /nfs/dbraw/zinc/83/69/35/487836935.db2.gz UEHYAJPLXYWUHC-CYDGBPFRSA-N 2 0 210.365 2.090 10 0 BEAERP Fc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000398346499 323011115 /nfs/dbraw/zinc/01/11/15/323011115.db2.gz GZPURJIUZZCGJR-SNVBAGLBSA-N 2 0 242.725 2.178 10 0 BEAERP CC(C)CSCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000397302139 323090250 /nfs/dbraw/zinc/09/02/50/323090250.db2.gz GLWDVPHTUWRKII-LBPRGKRZSA-N 2 0 230.421 2.107 10 0 BEAERP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000563796846 323178004 /nfs/dbraw/zinc/17/80/04/323178004.db2.gz OJHGGUUMYRUYDM-DGCLKSJQSA-N 2 0 210.365 2.154 10 0 BEAERP CCC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000132506765 325222205 /nfs/dbraw/zinc/22/22/05/325222205.db2.gz XXZBUSFFINEQTL-FRRDWIJNSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000566791085 326082447 /nfs/dbraw/zinc/08/24/47/326082447.db2.gz PJVYFVPQFJADRS-BFHYXJOUSA-N 2 0 222.376 2.320 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000566791086 326082479 /nfs/dbraw/zinc/08/24/79/326082479.db2.gz PJVYFVPQFJADRS-IHRRRGAJSA-N 2 0 222.376 2.320 10 0 BEAERP C[C@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@@H]1[NH3+] ZINC000405955621 487496471 /nfs/dbraw/zinc/49/64/71/487496471.db2.gz KGCOENBVLGRLOC-JQWIXIFHSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@@H]1[NH3+] ZINC000405955623 487497127 /nfs/dbraw/zinc/49/71/27/487497127.db2.gz KGCOENBVLGRLOC-PWSUYJOCSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]1C[NH+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000123997714 490271036 /nfs/dbraw/zinc/27/10/36/490271036.db2.gz CDTNBDWSYIWELP-CHWSQXEVSA-N 2 0 244.382 2.420 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400944072 491069134 /nfs/dbraw/zinc/06/91/34/491069134.db2.gz CIILHAXTNUUFJZ-HTOAHKCRSA-N 2 0 222.376 2.153 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090176124 491123656 /nfs/dbraw/zinc/12/36/56/491123656.db2.gz YIJPKISTBKGKOQ-IACUBPJLSA-N 2 0 224.392 2.495 10 0 BEAERP CCOCCCN1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757125309 582499924 /nfs/dbraw/zinc/49/99/24/582499924.db2.gz DJJZTJPTLJMUDT-KBPBESRZSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132971 582509304 /nfs/dbraw/zinc/50/93/04/582509304.db2.gz SHXNQGQFOJWUPZ-DYEKYZERSA-N 2 0 222.376 2.391 10 0 BEAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135004 582514022 /nfs/dbraw/zinc/51/40/22/582514022.db2.gz XTUUDHBNECBTHM-MJBXVCDLSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400367998 533722990 /nfs/dbraw/zinc/72/29/90/533722990.db2.gz FVSCFRXPMJCDSD-UTUOFQBUSA-N 2 0 212.381 2.399 10 0 BEAERP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400318379 533777110 /nfs/dbraw/zinc/77/71/10/533777110.db2.gz AJIYBSGSXVMUEG-OBJOEFQTSA-N 2 0 248.370 2.344 10 0 BEAERP C[C@H](CCC1CC1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400353851 533825708 /nfs/dbraw/zinc/82/57/08/533825708.db2.gz LKLTXCVBZMADSW-NTZNESFSSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CC[NH2+]C1 ZINC000400430073 534011780 /nfs/dbraw/zinc/01/17/80/534011780.db2.gz BNFUACBHJSCIBS-CYDGBPFRSA-N 2 0 210.365 2.153 10 0 BEAERP CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000238856333 519848172 /nfs/dbraw/zinc/84/81/72/519848172.db2.gz VQBZYKSDBIFFKV-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400347721 534695567 /nfs/dbraw/zinc/69/55/67/534695567.db2.gz IFXOHRJNOLCYLI-UKRRQHHQSA-N 2 0 232.371 2.125 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400432987 529195483 /nfs/dbraw/zinc/19/54/83/529195483.db2.gz LTCXFXHBGIPDEM-TUAOUCFPSA-N 2 0 230.421 2.106 10 0 BEAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400744765 529312238 /nfs/dbraw/zinc/31/22/38/529312238.db2.gz UGJZIOLDSUREOJ-RNJOBUHISA-N 2 0 210.365 2.153 10 0 BEAERP CCC[NH+]1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000019872675 534936383 /nfs/dbraw/zinc/93/63/83/534936383.db2.gz NZSFQPJYSCIPKP-CYBMUJFWSA-N 2 0 247.386 2.238 10 0 BEAERP CCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757124064 582499322 /nfs/dbraw/zinc/49/93/22/582499322.db2.gz BNOUIKAPGMZWBP-OLZOCXBDSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128216 582503507 /nfs/dbraw/zinc/50/35/07/582503507.db2.gz JMVFACMNFOHGFJ-OCCSQVGLSA-N 2 0 222.376 2.251 10 0 BEAERP CC1(c2ccc([C@@H]3C[NH2+]C[C@@H](C[NH3+])C3)cc2)CC1 ZINC000757218588 582561365 /nfs/dbraw/zinc/56/13/65/582561365.db2.gz VASWUXZNPHQZIH-OCCSQVGLSA-N 2 0 244.382 2.390 10 0 BEAERP CC(=O)c1ccc([C@@H]2[NH2+][C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC000757218010 582562881 /nfs/dbraw/zinc/56/28/81/582562881.db2.gz UMTKNVQIJNRTKN-VQISRLSMSA-N 2 0 246.354 2.277 10 0 BEAERP C[C@H]1CC[C@@]2(CCC[N@@H+]2CCC2CC2)C[NH2+]1 ZINC000757129668 586426606 /nfs/dbraw/zinc/42/66/06/586426606.db2.gz MSXUDPRIDMHTGJ-JSGCOSHPSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@H](C1CCC1)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757134947 586427020 /nfs/dbraw/zinc/42/70/20/586427020.db2.gz XMVSXJASBRFZMI-GFCCVEGCSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@H]1C[C@H](c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000757210697 586438482 /nfs/dbraw/zinc/43/84/82/586438482.db2.gz GSIGLPBJSFAMOP-GXFFZTMASA-N 2 0 204.317 2.001 10 0 BEAERP CC1(c2ccc([C@@H]3C[NH2+]CC[C@H]3[NH3+])cc2)CC1 ZINC000757211809 586439008 /nfs/dbraw/zinc/43/90/08/586439008.db2.gz IUGJZYGCLDZVDV-UONOGXRCSA-N 2 0 230.355 2.142 10 0 BEAERP C[C@@H]1C[NH2+][C@H](c2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000757212763 586439595 /nfs/dbraw/zinc/43/95/95/586439595.db2.gz JSQDQPUOHWQBCD-MJVIPROJSA-N 2 0 218.344 2.452 10 0 BEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cccs2)[NH2+]1 ZINC000757217127 586441062 /nfs/dbraw/zinc/44/10/62/586441062.db2.gz RFQVOEIUGANPQQ-WYFGTUCQSA-N 2 0 224.373 2.382 10 0 BEAERP CC(=O)c1ccc([C@@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cc1 ZINC000757219707 586442398 /nfs/dbraw/zinc/44/23/98/586442398.db2.gz ZBOXRWIXTJRMEY-WFASDCNBSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@@H]1CC[C@@H](c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000757220887 586442855 /nfs/dbraw/zinc/44/28/55/586442855.db2.gz ZYXYJPJVGHYGTL-ZWNOBZJWSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]1C[C@@H](c2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC000757227404 586442882 /nfs/dbraw/zinc/44/28/82/586442882.db2.gz BUBKMDVUOSWQQW-AAEUAGOBSA-N 2 0 230.355 2.188 10 0 BEAERP C[C@]1([NH3+])CC=C(c2cccc(C[NH3+])c2)CC1 ZINC000757571661 586462609 /nfs/dbraw/zinc/46/26/09/586462609.db2.gz LXMUZSKBMBWEQM-AWEZNQCLSA-N 2 0 216.328 2.430 10 0 BEAERP C[C@H]1C[N@H+](CCCCCCC[NH3+])CCS1 ZINC000123509336 589739704 /nfs/dbraw/zinc/73/97/04/589739704.db2.gz CQSQAISTYJCPID-LBPRGKRZSA-N 2 0 230.421 2.333 10 0 BEAERP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000128264008 590953576 /nfs/dbraw/zinc/95/35/76/590953576.db2.gz NWBNTILFGLCFHJ-CHWSQXEVSA-N 2 0 242.432 2.346 10 0 BEAERP Cc1[nH+]ccc(N2CC[C@H](CC[NH3+])C2)c1Cl ZINC000309375112 633903174 /nfs/dbraw/zinc/90/31/74/633903174.db2.gz QAYAZFZWMYDABJ-JTQLQIEISA-N 2 0 239.750 2.219 10 0 BEAERP [NH3+]CCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428102 638322622 /nfs/dbraw/zinc/32/26/22/638322622.db2.gz YGCAONZUDUNKKN-ZIAGYGMSSA-N 2 0 240.391 2.149 10 0 BEAERP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037713765 711467604 /nfs/dbraw/zinc/46/76/04/711467604.db2.gz VFIPEGQHDKRVGD-YNEHKIRRSA-N 2 0 210.365 2.284 10 0 BEAERP C[C@@H]1C[C@@H](c2ccc(C[NH3+])cc2)C[C@H](C)[NH2+]1 ZINC000757211559 643369657 /nfs/dbraw/zinc/36/96/57/643369657.db2.gz HRLZYEROWKQEBF-GNXNZQSNSA-N 2 0 218.344 2.389 10 0 BEAERP C[C@@H]1CCC[C@H](C)[N@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951912 644518857 /nfs/dbraw/zinc/51/88/57/644518857.db2.gz ZAVXHTSGWWHUDN-ZDEQEGDKSA-N 2 0 224.392 2.493 10 0 BEAERP C(C[C@H]1CCCS1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000715758343 712532026 /nfs/dbraw/zinc/53/20/26/712532026.db2.gz WWPXEOPTPSVEMD-VXGBXAGGSA-N 2 0 228.405 2.004 10 0 BEAERP C(C[C@H]1CCCS1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000715758334 712532037 /nfs/dbraw/zinc/53/20/37/712532037.db2.gz WWPXEOPTPSVEMD-NWDGAFQWSA-N 2 0 228.405 2.004 10 0 BEAERP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000037713766 712745121 /nfs/dbraw/zinc/74/51/21/712745121.db2.gz VFIPEGQHDKRVGD-RWMBFGLXSA-N 2 0 210.365 2.284 10 0 BEAERP C[C@H]([NH2+]CCC1CC=CC1)[C@H]1CCC[NH2+]C1 ZINC000724184555 711567772 /nfs/dbraw/zinc/56/77/72/711567772.db2.gz KMXRJLLSULXLKH-JSGCOSHPSA-N 2 0 222.376 2.320 10 0 BEAERP CC1CCC(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000702078203 712038028 /nfs/dbraw/zinc/03/80/28/712038028.db2.gz XHGIOYJUVANMGZ-PFSRBDOWSA-N 2 0 236.403 2.354 10 0 BEAERP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@]12C[C@@H]1CCCC2 ZINC000708865615 712201849 /nfs/dbraw/zinc/20/18/49/712201849.db2.gz JXGAEYUCKGJITN-SGMGOOAPSA-N 2 0 222.376 2.297 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000712630216 712439137 /nfs/dbraw/zinc/43/91/37/712439137.db2.gz MLDCSOGXJVKKTQ-ATGSNQNLSA-N 2 0 236.403 2.400 10 0 BEAERP CCC1([NH3+])CCN(c2cc[nH+]c(C)c2)CC1 ZINC000714751560 712497156 /nfs/dbraw/zinc/49/71/56/712497156.db2.gz FGSIAVCFAAIJIN-UHFFFAOYSA-N 2 0 219.332 2.098 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H](OC)C2)CC1 ZINC000714760197 712498479 /nfs/dbraw/zinc/49/84/79/712498479.db2.gz WHBYFRDSNTYHID-OLZOCXBDSA-N 2 0 240.391 2.147 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CCCS1)[C@@H]1CCC[NH2+]C1 ZINC000715669836 712530451 /nfs/dbraw/zinc/53/04/51/712530451.db2.gz SUTRCGVGMJLMPM-XQQFMLRXSA-N 2 0 242.432 2.250 10 0 BEAERP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000716544818 712567609 /nfs/dbraw/zinc/56/76/09/712567609.db2.gz IHWHUQJJWQZXSN-ZSBNNPHGSA-N 2 0 222.376 2.138 10 0 BEAERP Cc1cccc(NC[C@@H]2C[NH2+]CCC2(F)F)[nH+]1 ZINC000717016963 712604627 /nfs/dbraw/zinc/60/46/27/712604627.db2.gz XFASWNCQNRWSFF-JTQLQIEISA-N 2 0 241.285 2.047 10 0 BEAERP C[C@@H]([NH2+]C1CCC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000718016405 712736706 /nfs/dbraw/zinc/73/67/06/712736706.db2.gz BDIPXOQUOXSSJZ-VXGBXAGGSA-N 2 0 208.349 2.073 10 0 BEAERP COCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000718769897 712782013 /nfs/dbraw/zinc/78/20/13/712782013.db2.gz RFCIVGOHZJXSBX-CHWSQXEVSA-N 2 0 242.407 2.027 10 0 BEAERP C1=CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)CCC1 ZINC000719107982 712797685 /nfs/dbraw/zinc/79/76/85/712797685.db2.gz ZFGXYEBPCHVXOQ-OLZOCXBDSA-N 2 0 208.349 2.074 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720859854 712870824 /nfs/dbraw/zinc/87/08/24/712870824.db2.gz RMBZKCPFGUCQMB-AEJSXWLSSA-N 2 0 238.297 2.100 10 0 BEAERP CC(C)[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720859855 712870992 /nfs/dbraw/zinc/87/09/92/712870992.db2.gz RMBZKCPFGUCQMB-GUBZILKMSA-N 2 0 238.297 2.100 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@H]2C ZINC000685954098 538898471 /nfs/dbraw/zinc/89/84/71/538898471.db2.gz LASOZELEFIPBGQ-FVCCEPFGSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@H]1C[C@@]2(CC(C)(C)C1)[C@H]([NH3+])CC[N@@H+]2C ZINC000685953890 538898531 /nfs/dbraw/zinc/89/85/31/538898531.db2.gz JGJGYTQWQJVRNP-NQBHXWOUSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@H]1C[C@]2(CC(C)(C)C1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000685953884 538898886 /nfs/dbraw/zinc/89/88/86/538898886.db2.gz JGJGYTQWQJVRNP-MDZLAQPJSA-N 2 0 210.365 2.234 10 0 BEAERP CCC(CC)(CC)[NH2+]CCC[NH+](C)C ZINC000122205817 168317955 /nfs/dbraw/zinc/31/79/55/168317955.db2.gz QGXFCDQKZZIYNR-UHFFFAOYSA-N 2 0 200.370 2.497 10 0 BEAERP C[C@@H]1CCC[N@@H+]([C@H](CN)c2ccccc2)C1 ZINC000252134463 398186269 /nfs/dbraw/zinc/18/62/69/398186269.db2.gz LHQTWACZUTUCKS-TZMCWYRMSA-N 2 0 218.344 2.418 10 0 BEAERP CC(C)n1ccc([C@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536958536 398199098 /nfs/dbraw/zinc/19/90/98/398199098.db2.gz GUELLJRFJMKVGJ-CYBMUJFWSA-N 2 0 233.359 2.083 10 0 BEAERP CC[NH+](CC)Cc1cc(F)cc(C[NH3+])c1 ZINC000162813398 538924851 /nfs/dbraw/zinc/92/48/51/538924851.db2.gz AEQAPDKEHMCJHH-UHFFFAOYSA-N 2 0 210.296 2.126 10 0 BEAERP CCC(CC)C[C@H](C[NH3+])C1CC[NH2+]CC1 ZINC000068591300 168367522 /nfs/dbraw/zinc/36/75/22/168367522.db2.gz YHWVXURLMGGKAW-CYBMUJFWSA-N 2 0 212.381 2.387 10 0 BEAERP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCC[NH+]1CCCC1 ZINC000035015689 342699459 /nfs/dbraw/zinc/69/94/59/342699459.db2.gz SXMOKDZSGQAFJU-QLFBSQMISA-N 2 0 234.387 2.274 10 0 BEAERP CCC(CC)[NH2+]C[C@@H](C)N(CCOC)C1CC1 ZINC000053496510 168388778 /nfs/dbraw/zinc/38/87/78/168388778.db2.gz UUYRADGNHXDJGP-GFCCVEGCSA-N 2 0 242.407 2.264 10 0 BEAERP CC1CCC(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193606231 539006837 /nfs/dbraw/zinc/00/68/37/539006837.db2.gz VPZVOASPNQSTQN-ZMYVRHLSSA-N 2 0 236.403 2.306 10 0 BEAERP CCN1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000390433702 539021641 /nfs/dbraw/zinc/02/16/41/539021641.db2.gz QXOGSGYFGZDBJM-MJBXVCDLSA-N 2 0 224.392 2.495 10 0 BEAERP CC(C)[NH2+]C1CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000390002003 539019754 /nfs/dbraw/zinc/01/97/54/539019754.db2.gz UCKLACKLZAZHAX-LBPRGKRZSA-N 2 0 212.381 2.493 10 0 BEAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NC(C)(C)C)c2)C1 ZINC000116600723 342929496 /nfs/dbraw/zinc/92/94/96/342929496.db2.gz YLWIKUFSEARYHJ-NSHDSACASA-N 2 0 248.374 2.090 10 0 BEAERP [NH3+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000020285977 342980807 /nfs/dbraw/zinc/98/08/07/342980807.db2.gz IFQRFSKEHYUZAT-ZNMIVQPWSA-N 2 0 230.355 2.246 10 0 BEAERP CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361865 529584689 /nfs/dbraw/zinc/58/46/89/529584689.db2.gz NXVSNTISVZKCFV-JSGCOSHPSA-N 2 0 232.371 2.337 10 0 BEAERP C[C@H](C[NH3+])Nc1cc[nH+]c2cc(F)ccc12 ZINC000038952755 343111616 /nfs/dbraw/zinc/11/16/16/343111616.db2.gz LDCVMWCWYYQNNI-MRVPVSSYSA-N 2 0 219.263 2.133 10 0 BEAERP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128095592 187233043 /nfs/dbraw/zinc/23/30/43/187233043.db2.gz AXCTWBUTLBZZFT-UPJWGTAASA-N 2 0 240.416 2.098 10 0 BEAERP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128095821 187233275 /nfs/dbraw/zinc/23/32/75/187233275.db2.gz AXCTWBUTLBZZFT-YNEHKIRRSA-N 2 0 240.416 2.098 10 0 BEAERP C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400362216 259353911 /nfs/dbraw/zinc/35/39/11/259353911.db2.gz DLNFJEIOBWPIKY-ZWNOBZJWSA-N 2 0 222.376 2.010 10 0 BEAERP CCSCC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000128932698 343176062 /nfs/dbraw/zinc/17/60/62/343176062.db2.gz LZOSMFFUSKZMBJ-LBPRGKRZSA-N 2 0 230.421 2.059 10 0 BEAERP CC[N@@H+](Cc1ccccc1)C[C@@H](C)C(N)=[NH2+] ZINC000036678553 343322043 /nfs/dbraw/zinc/32/20/43/343322043.db2.gz NQBXMWUJWWLQTA-LLVKDONJSA-N 2 0 219.332 2.081 10 0 BEAERP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917818 187261032 /nfs/dbraw/zinc/26/10/32/187261032.db2.gz IMASRUAXMPSNBW-KBPBESRZSA-N 2 0 222.376 2.417 10 0 BEAERP CC(C)(C)[NH+]1CCC(c2ccc(N)nc2)CC1 ZINC000616619081 343523416 /nfs/dbraw/zinc/52/34/16/343523416.db2.gz BJFAWEROLPOLGU-UHFFFAOYSA-N 2 0 233.359 2.472 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657776 343503801 /nfs/dbraw/zinc/50/38/01/343503801.db2.gz WHVICIVLOGPDPJ-RFGFWPKPSA-N 2 0 224.392 2.351 10 0 BEAERP CC(C)[N@H+](C)CCn1ccc2c1CCC[C@H]2[NH3+] ZINC000054133897 187271912 /nfs/dbraw/zinc/27/19/12/187271912.db2.gz RGWAVAJKVUGFGJ-CYBMUJFWSA-N 2 0 235.375 2.164 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC2)C1 ZINC000037478515 537819886 /nfs/dbraw/zinc/81/98/86/537819886.db2.gz IENRIPWVIMJNFD-VXGBXAGGSA-N 2 0 210.365 2.106 10 0 BEAERP c1ccc2c(c1)CN(C[C@@H]1CCCC[NH2+]1)C=[NH+]2 ZINC000095079121 187287166 /nfs/dbraw/zinc/28/71/66/187287166.db2.gz ZNMJJWQTBFPGBT-ZDUSSCGKSA-N 2 0 229.327 2.304 10 0 BEAERP [NH3+]C1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000086730740 344221945 /nfs/dbraw/zinc/22/19/45/344221945.db2.gz OBGRVMZRQUMDDU-UHFFFAOYSA-N 2 0 222.376 2.282 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133778892 344322255 /nfs/dbraw/zinc/32/22/55/344322255.db2.gz QOFXLVKKIMIDSI-RYUDHWBXSA-N 2 0 230.421 2.250 10 0 BEAERP CCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000042447410 344454218 /nfs/dbraw/zinc/45/42/18/344454218.db2.gz BRVMUSRKKBUJKJ-CYBMUJFWSA-N 2 0 212.381 2.482 10 0 BEAERP C[C@@H]([NH3+])c1ccccc1N1CCC[C@H]1C[NH+](C)C ZINC000103957988 187291832 /nfs/dbraw/zinc/29/18/32/187291832.db2.gz RFTQGQFAGMEVAY-OLZOCXBDSA-N 2 0 247.386 2.237 10 0 BEAERP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000044683803 187293167 /nfs/dbraw/zinc/29/31/67/187293167.db2.gz MCEHPZFJUMNZMR-YNEHKIRRSA-N 2 0 222.376 2.391 10 0 BEAERP C[C@H](C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998515 345198093 /nfs/dbraw/zinc/19/80/93/345198093.db2.gz GRUJHXNJCMVDAF-IPYPFGDCSA-N 2 0 232.371 2.317 10 0 BEAERP C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998232 345198612 /nfs/dbraw/zinc/19/86/12/345198612.db2.gz CITPPGOSINXVLR-JGOVJGDKSA-N 2 0 230.355 2.226 10 0 BEAERP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335631533 345431499 /nfs/dbraw/zinc/43/14/99/345431499.db2.gz BEOIJCXEAIMFEX-LLVKDONJSA-N 2 0 210.365 2.154 10 0 BEAERP CC(C)[NH+](Cc1cncc(C[NH3+])c1)C(C)C ZINC000669379199 537974795 /nfs/dbraw/zinc/97/47/95/537974795.db2.gz WQUBLTFPCFHASG-UHFFFAOYSA-N 2 0 221.348 2.159 10 0 BEAERP Cc1cccc(C[NH+]2CCC[NH2+]CCC2)c1 ZINC000049666846 179074604 /nfs/dbraw/zinc/07/46/04/179074604.db2.gz MCKYIRMNMSEOLP-UHFFFAOYSA-N 2 0 218.344 2.180 10 0 BEAERP CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000580062450 346502421 /nfs/dbraw/zinc/50/24/21/346502421.db2.gz CQUFMFBGGYNHGG-MJBXVCDLSA-N 2 0 242.407 2.025 10 0 BEAERP CCOC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000580062449 346502711 /nfs/dbraw/zinc/50/27/11/346502711.db2.gz CQUFMFBGGYNHGG-MCIONIFRSA-N 2 0 242.407 2.025 10 0 BEAERP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577161772 365848179 /nfs/dbraw/zinc/84/81/79/365848179.db2.gz RAPDVESTPNJPBE-BBBLOLIVSA-N 2 0 238.297 2.305 10 0 BEAERP [NH3+][C@H](CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114349139 347352463 /nfs/dbraw/zinc/35/24/63/347352463.db2.gz DPXXYMQUWQIWCM-CYBMUJFWSA-N 2 0 249.314 2.081 10 0 BEAERP Cc1ccccc1C[NH+]1CCC[NH2+]CCC1 ZINC000049666764 179273575 /nfs/dbraw/zinc/27/35/75/179273575.db2.gz SPJGSIMDLQRXKX-UHFFFAOYSA-N 2 0 218.344 2.180 10 0 BEAERP Cc1ccccc1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662204 179274594 /nfs/dbraw/zinc/27/45/94/179274594.db2.gz MMEMAFLJDQGNDA-GFCCVEGCSA-N 2 0 218.344 2.036 10 0 BEAERP Cc1csc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000334523209 179774873 /nfs/dbraw/zinc/77/48/73/179774873.db2.gz NOBTXTMQOVTJND-UHFFFAOYSA-N 2 0 224.373 2.416 10 0 BEAERP CSCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133590249 191041736 /nfs/dbraw/zinc/04/17/36/191041736.db2.gz QITPSGWTMHPDCZ-NEPJUHHUSA-N 2 0 230.421 2.202 10 0 BEAERP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133589985 191041879 /nfs/dbraw/zinc/04/18/79/191041879.db2.gz QITPSGWTMHPDCZ-NWDGAFQWSA-N 2 0 230.421 2.202 10 0 BEAERP Cc1[nH+]ccc(NCC[C@H](C)[NH3+])c1Cl ZINC000306207776 180199117 /nfs/dbraw/zinc/19/91/17/180199117.db2.gz DEYONSJOQYGLGQ-ZETCQYMHSA-N 2 0 213.712 2.193 10 0 BEAERP C[C@H]1C[C@H](C[NH3+])C[N@H+](Cc2ccccc2)C1 ZINC000306904732 351318480 /nfs/dbraw/zinc/31/84/80/351318480.db2.gz KIEBFFUKRWZHOR-GXTWGEPZSA-N 2 0 218.344 2.103 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000306917255 351328595 /nfs/dbraw/zinc/32/85/95/351328595.db2.gz XXAHEALOEZNDEA-MRVPVSSYSA-N 2 0 219.115 2.342 10 0 BEAERP CCC(CC)(CC)C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000391244044 259421480 /nfs/dbraw/zinc/42/14/80/259421480.db2.gz KXXTXANWCMGWCW-GFCCVEGCSA-N 2 0 212.381 2.402 10 0 BEAERP CCC[N@H+](CC)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270168 538102037 /nfs/dbraw/zinc/10/20/37/538102037.db2.gz HXPVUIKRDBKCSP-CPCZMJQVSA-N 2 0 210.365 2.378 10 0 BEAERP C(C[C@H]1CCC[NH2+]1)C[NH+]1CCCCCC1 ZINC000052764278 187987072 /nfs/dbraw/zinc/98/70/72/187987072.db2.gz APLIORCYWDDCPF-CYBMUJFWSA-N 2 0 210.365 2.395 10 0 BEAERP C[N@H+](Cc1cccs1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223120503 353138294 /nfs/dbraw/zinc/13/82/94/353138294.db2.gz AMYKHTIYIGHFRH-NXEZZACHSA-N 2 0 210.346 2.060 10 0 BEAERP C1=C(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000336235635 188256703 /nfs/dbraw/zinc/25/67/03/188256703.db2.gz CFRLVVGIIWVNKL-CYBMUJFWSA-N 2 0 208.349 2.219 10 0 BEAERP COc1ccc([C@H](C)[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521474 188282396 /nfs/dbraw/zinc/28/23/96/188282396.db2.gz WHVJEEGXCRCCID-NSHDSACASA-N 2 0 234.343 2.179 10 0 BEAERP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)C(N)=[NH2+])c1 ZINC000042459832 188293719 /nfs/dbraw/zinc/29/37/19/188293719.db2.gz VFQJDNZRNJMQIT-GFCCVEGCSA-N 2 0 233.359 2.307 10 0 BEAERP CC(C)[C@H](C[NH+](C)C)n1c(N)[nH+]c2ccccc21 ZINC000049221076 188298480 /nfs/dbraw/zinc/29/84/80/188298480.db2.gz FVQOUIPYMJYVEA-ZDUSSCGKSA-N 2 0 246.358 2.377 10 0 BEAERP C[C@@H]([NH3+])c1ccccc1N(C)[C@H]1CCC[N@H+](C)C1 ZINC000103954491 188323343 /nfs/dbraw/zinc/32/33/43/188323343.db2.gz ZDOPDCRIMQLOIT-OLZOCXBDSA-N 2 0 247.386 2.237 10 0 BEAERP CC(C)[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccn1 ZINC000082342728 188312595 /nfs/dbraw/zinc/31/25/95/188312595.db2.gz SVXOQYDTJPYKHI-OCCSQVGLSA-N 2 0 233.359 2.202 10 0 BEAERP CC[NH2+]C[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050974 538473345 /nfs/dbraw/zinc/47/33/45/538473345.db2.gz DTYKPKJKKKERNM-STQMWFEESA-N 2 0 210.365 2.012 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675070227 538500758 /nfs/dbraw/zinc/50/07/58/538500758.db2.gz SHDGWZLHRKNHAH-CHWSQXEVSA-N 2 0 236.403 2.497 10 0 BEAERP CC(C)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573160 538557570 /nfs/dbraw/zinc/55/75/70/538557570.db2.gz ZJJMLUWGTRRCIJ-YHWZYXNKSA-N 2 0 210.365 2.247 10 0 BEAERP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000423216092 192630473 /nfs/dbraw/zinc/63/04/73/192630473.db2.gz PKABEXIWOZUITD-QNMSZWNNSA-N 2 0 222.376 2.438 10 0 BEAERP C[C@@H]1CCC[C@H](C2=CC[C@@]3(C[C@H]3[NH3+])CC2)[NH2+]1 ZINC000685950412 538893915 /nfs/dbraw/zinc/89/39/15/538893915.db2.gz PEUCOYPEMMRCHQ-ZRJCITRHSA-N 2 0 220.360 2.345 10 0 BEAERP C[C@@H]1CCC[C@@H](C2CCC3(C[C@H]3[NH3+])CC2)[NH2+]1 ZINC000685950507 538893956 /nfs/dbraw/zinc/89/39/56/538893956.db2.gz RXLBHCQWOJXNQG-IAFLXDRLSA-N 2 0 222.376 2.425 10 0 BEAERP CCCC[N@H+](CC)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950908 538894327 /nfs/dbraw/zinc/89/43/27/538894327.db2.gz HRYQCAYBSJOKAP-ITGUQSILSA-N 2 0 212.381 2.352 10 0 BEAERP CC[C@H]1CCC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950845 538894653 /nfs/dbraw/zinc/89/46/53/538894653.db2.gz FETHWMACROPDLE-RFQIPJPRSA-N 2 0 224.392 2.352 10 0 BEAERP CC[C@H]1CCCC[N@@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951681 538895067 /nfs/dbraw/zinc/89/50/67/538895067.db2.gz VNKPZUHMUAAWMQ-RFQIPJPRSA-N 2 0 224.392 2.495 10 0 BEAERP CCC1CCC([NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000232900318 357686764 /nfs/dbraw/zinc/68/67/64/357686764.db2.gz GTGMMSBHMUMVGB-JXQTWKCFSA-N 2 0 242.407 2.299 10 0 BEAERP CC(C)=CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000584774314 358175142 /nfs/dbraw/zinc/17/51/42/358175142.db2.gz MXABFGWQYFWBQW-STQMWFEESA-N 2 0 210.365 2.320 10 0 BEAERP C[Si](C)(C)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000171742570 134260306 /nfs/dbraw/zinc/26/03/06/134260306.db2.gz XMQLKOYBYYXABL-UHFFFAOYSA-N 2 0 240.467 2.424 10 0 BEAERP C[C@@H]1C[C@H]([NH3+])C[C@@H]2C[C@H](c3ccccc3)C[N@@H+]21 ZINC000584640369 358326245 /nfs/dbraw/zinc/32/62/45/358326245.db2.gz UNOGMZFUWVHFJS-UNQGMJICSA-N 2 0 230.355 2.354 10 0 BEAERP C[C@H]([NH3+])c1ccc(CO)c(C[NH2+]C(C)(C)C)c1 ZINC000584641346 358327149 /nfs/dbraw/zinc/32/71/49/358327149.db2.gz TVFBSEZWKNEFKX-JTQLQIEISA-N 2 0 236.359 2.087 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400531765 259490750 /nfs/dbraw/zinc/49/07/50/259490750.db2.gz RZBGEVOOCBVBTQ-KSTCHIGDSA-N 2 0 224.392 2.399 10 0 BEAERP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000306571227 360457973 /nfs/dbraw/zinc/45/79/73/360457973.db2.gz GVHHBRRVHYGCAV-SWLSCSKDSA-N 2 0 245.370 2.484 10 0 BEAERP Cc1ccsc1[C@H]1[C@@H](C[NH3+])CC[N@H+]1C ZINC000069796103 360557489 /nfs/dbraw/zinc/55/74/89/360557489.db2.gz TYFSIFPOEJGSAA-NXEZZACHSA-N 2 0 210.346 2.008 10 0 BEAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCC12CC2 ZINC000629553923 361439607 /nfs/dbraw/zinc/43/96/07/361439607.db2.gz DSWCCZXQIILQSW-OLZOCXBDSA-N 2 0 222.376 2.298 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000629554330 361441386 /nfs/dbraw/zinc/44/13/86/361441386.db2.gz HUUBBIFKIBVDEY-AVGNSLFASA-N 2 0 222.376 2.154 10 0 BEAERP [NH3+]C1CCC(C[NH+]2CCCCCC2)CC1 ZINC000037482381 181341412 /nfs/dbraw/zinc/34/14/12/181341412.db2.gz MISZYGMKENNKQT-UHFFFAOYSA-N 2 0 210.365 2.380 10 0 BEAERP [NH3+]C1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000019428632 181343924 /nfs/dbraw/zinc/34/39/24/181343924.db2.gz SLFFOQRFCMZPJX-UHFFFAOYSA-N 2 0 234.387 2.378 10 0 BEAERP CCc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074081393 541313272 /nfs/dbraw/zinc/31/32/72/541313272.db2.gz SWQJKRNHSDZRRR-KGLIPLIRSA-N 2 0 218.344 2.343 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357198 364078677 /nfs/dbraw/zinc/07/86/77/364078677.db2.gz COTQNSZZEDMAQW-JSGCOSHPSA-N 2 0 242.407 2.251 10 0 BEAERP [NH3+]CC1([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000083328858 181361660 /nfs/dbraw/zinc/36/16/60/181361660.db2.gz MCUXYVYLUVNMKC-AWEZNQCLSA-N 2 0 230.355 2.247 10 0 BEAERP CCSCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000133808221 364368052 /nfs/dbraw/zinc/36/80/52/364368052.db2.gz SIYIYTOFQUHQDT-UNXYVOJBSA-N 2 0 230.421 2.378 10 0 BEAERP CC[NH+]1CCC([NH2+]CCCCSC)CC1 ZINC000133925453 364379071 /nfs/dbraw/zinc/37/90/71/364379071.db2.gz XUCQVUFHQBJJJK-UHFFFAOYSA-N 2 0 230.421 2.204 10 0 BEAERP Cc1[nH+]c(N)ccc1C1CC[NH+](C(C)C)CC1 ZINC000616219280 364791356 /nfs/dbraw/zinc/79/13/56/364791356.db2.gz PWGSSGLJQFBHMW-UHFFFAOYSA-N 2 0 233.359 2.390 10 0 BEAERP [NH3+]CCCN[C@H](c1ccco1)c1ccccc1 ZINC000037713348 181383127 /nfs/dbraw/zinc/38/31/27/181383127.db2.gz SMDQKBWLNVEWIN-AWEZNQCLSA-N 2 0 230.311 2.307 10 0 BEAERP [NH3+]CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037713800 181383438 /nfs/dbraw/zinc/38/34/38/181383438.db2.gz SLBKILYRXHYKML-NSHDSACASA-N 2 0 240.347 2.301 10 0 BEAERP CCOCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574747849 365133855 /nfs/dbraw/zinc/13/38/55/365133855.db2.gz RCHGQECTVDMDPO-CHWSQXEVSA-N 2 0 242.407 2.027 10 0 BEAERP C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000380604537 367252843 /nfs/dbraw/zinc/25/28/43/367252843.db2.gz WEBZJSKHQXDZDV-YIYPIFLZSA-N 2 0 224.392 2.482 10 0 BEAERP C[NH2+][C@@H](CC[C@H]([NH2+]C)C(C)C)C(C)C ZINC000616568427 369093163 /nfs/dbraw/zinc/09/31/63/369093163.db2.gz AHSRPQKRSBVPLB-RYUDHWBXSA-N 2 0 200.370 2.255 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000631837284 369096380 /nfs/dbraw/zinc/09/63/80/369096380.db2.gz QPGYCBVYQTXIHP-ZFWWWQNUSA-N 2 0 232.371 2.330 10 0 BEAERP C[C@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838046 369114699 /nfs/dbraw/zinc/11/46/99/369114699.db2.gz YVLYQWMHUAAIBZ-RYUDHWBXSA-N 2 0 224.392 2.339 10 0 BEAERP C[C@H]1C[N@H+](CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631839737 369170161 /nfs/dbraw/zinc/17/01/61/369170161.db2.gz KFMZMSKVSFPESR-AAEUAGOBSA-N 2 0 210.365 2.093 10 0 BEAERP c1cc(N2CCC3(CC2)CCC[NH2+]CC3)cc[nH+]1 ZINC000113931307 370516478 /nfs/dbraw/zinc/51/64/78/370516478.db2.gz ROAMRKMRSVILNY-UHFFFAOYSA-N 2 0 245.370 2.442 10 0 BEAERP [NH3+][C@H]1CCCCC[C@H]1C[NH+]1CCCCC1 ZINC000053862527 181639534 /nfs/dbraw/zinc/63/95/34/181639534.db2.gz NNXSQMIDYXUGBC-STQMWFEESA-N 2 0 210.365 2.380 10 0 BEAERP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000572868624 326415902 /nfs/dbraw/zinc/41/59/02/326415902.db2.gz UTZLIVYNSMQAFR-GXSJLCMTSA-N 2 0 232.318 2.009 10 0 BEAERP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000631837294 372627378 /nfs/dbraw/zinc/62/73/78/372627378.db2.gz ADCWMLSDGJHGNN-LRDDRELGSA-N 2 0 244.382 2.202 10 0 BEAERP COc1ccc(C)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844383 372642995 /nfs/dbraw/zinc/64/29/95/372642995.db2.gz WZUUEYUNOOBRKB-JSGCOSHPSA-N 2 0 248.370 2.030 10 0 BEAERP CCOCC[N@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000104193171 170396788 /nfs/dbraw/zinc/39/67/88/170396788.db2.gz JLFOSFATHGPRPX-MGPQQGTHSA-N 2 0 242.407 2.108 10 0 BEAERP CCC[N@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911717 169137967 /nfs/dbraw/zinc/13/79/67/169137967.db2.gz VEGUSYSBNVIBSL-CYBMUJFWSA-N 2 0 210.365 2.108 10 0 BEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)COC)CC1 ZINC000037209113 169191270 /nfs/dbraw/zinc/19/12/70/169191270.db2.gz KNVGQVIRODXDAI-QWHCGFSZSA-N 2 0 242.407 2.121 10 0 BEAERP c1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)ccn1 ZINC000004238071 183339567 /nfs/dbraw/zinc/33/95/67/183339567.db2.gz GUIHWXNNSVPRBL-UHFFFAOYSA-N 2 0 245.370 2.047 10 0 BEAERP c1cc(NCC[NH+]2CCCCCC2)cc[nH+]1 ZINC000040768134 183356927 /nfs/dbraw/zinc/35/69/27/183356927.db2.gz DTDBVILERTTYQZ-UHFFFAOYSA-N 2 0 219.332 2.370 10 0 BEAERP CCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000037241670 169256108 /nfs/dbraw/zinc/25/61/08/169256108.db2.gz AYYGXIZIRPJUQA-UHFFFAOYSA-N 2 0 210.365 2.393 10 0 BEAERP CCC[NH2+]CC(CC)(CC)C[N@H+](CC)CCO ZINC000051249552 169257413 /nfs/dbraw/zinc/25/74/13/169257413.db2.gz RZIWFFMHDVBGBF-UHFFFAOYSA-N 2 0 244.423 2.107 10 0 BEAERP CCC[NH2+]C[C@@H](C)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000052372109 169261558 /nfs/dbraw/zinc/26/15/58/169261558.db2.gz QLHANYTZKIJAAO-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000033465876 169267758 /nfs/dbraw/zinc/26/77/58/169267758.db2.gz IAROJVXCHBQBEN-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP c1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC000082346502 183396349 /nfs/dbraw/zinc/39/63/49/183396349.db2.gz ZAEPPLWURQVYBR-UHFFFAOYSA-N 2 0 230.355 2.405 10 0 BEAERP CCCO[C@@H]1CCC[N@@H+](C(CC)(CC)C[NH3+])C1 ZINC000042421328 169311252 /nfs/dbraw/zinc/31/12/52/169311252.db2.gz NOCCAVWTSVGKHS-CYBMUJFWSA-N 2 0 242.407 2.395 10 0 BEAERP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000042420634 169312744 /nfs/dbraw/zinc/31/27/44/169312744.db2.gz GBVVFMRPWMGPGV-HZSPNIEDSA-N 2 0 240.391 2.005 10 0 BEAERP CCC[C@@H](C)[N@H+](C)CCNCC[NH+](CC)CC ZINC000053384538 169365821 /nfs/dbraw/zinc/36/58/21/169365821.db2.gz DROQKOKJLPEUNA-CQSZACIVSA-N 2 0 243.439 2.038 10 0 BEAERP C[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1n1ccnc1 ZINC000179586165 134322120 /nfs/dbraw/zinc/32/21/20/134322120.db2.gz FZCCVSNSGTYVTE-AAEUAGOBSA-N 2 0 219.332 2.319 10 0 BEAERP C[C@@H]1[C@@H]([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000068592793 384002096 /nfs/dbraw/zinc/00/20/96/384002096.db2.gz NWKPWPVTPIKZQR-OBJOEFQTSA-N 2 0 218.344 2.244 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403330491 383940329 /nfs/dbraw/zinc/94/03/29/383940329.db2.gz FWSAPFANQSUBSF-XJFOESAGSA-N 2 0 222.376 2.154 10 0 BEAERP [NH3+][C@H]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000095077334 384353346 /nfs/dbraw/zinc/35/33/46/384353346.db2.gz AHXUSIGCLDCNNO-LSDHHAIUSA-N 2 0 230.355 2.390 10 0 BEAERP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335661254 384464815 /nfs/dbraw/zinc/46/48/15/384464815.db2.gz FUDIYVZUMPXCEA-MNOVXSKESA-N 2 0 232.318 2.154 10 0 BEAERP CC(C)CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123141218 384535958 /nfs/dbraw/zinc/53/59/58/384535958.db2.gz YZCQQDMLKAWQCE-QWHCGFSZSA-N 2 0 212.381 2.447 10 0 BEAERP C[C@@H]1C[C@H]([NH2+]CCc2ccsc2)CC[N@@H+]1C ZINC000122953685 384525929 /nfs/dbraw/zinc/52/59/29/384525929.db2.gz TYJWKBLICMHHOE-DGCLKSJQSA-N 2 0 238.400 2.363 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000100256597 384627399 /nfs/dbraw/zinc/62/73/99/384627399.db2.gz CCEBVNAQRAWHIX-LPEHRKFASA-N 2 0 225.361 2.064 10 0 BEAERP C(COC1CCCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129256454 385127652 /nfs/dbraw/zinc/12/76/52/385127652.db2.gz WYGKZLLHXDLXAG-CYBMUJFWSA-N 2 0 240.391 2.067 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1csc2ccccc12 ZINC000259418444 385428384 /nfs/dbraw/zinc/42/83/84/385428384.db2.gz OXSUHHMOHOCTHE-SNVBAGLBSA-N 2 0 206.314 2.250 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588943 385742946 /nfs/dbraw/zinc/74/29/46/385742946.db2.gz DEMWUSNSSPWNMW-QWHCGFSZSA-N 2 0 242.432 2.202 10 0 BEAERP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)CC(F)F ZINC000647801461 385812307 /nfs/dbraw/zinc/81/23/07/385812307.db2.gz WIPGMHICPNIOQZ-VHSXEESVSA-N 2 0 220.307 2.009 10 0 BEAERP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398353389 386814307 /nfs/dbraw/zinc/81/43/07/386814307.db2.gz JOVNXRWMVZNDLE-ZDUSSCGKSA-N 2 0 218.344 2.003 10 0 BEAERP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000514660624 387049848 /nfs/dbraw/zinc/04/98/48/387049848.db2.gz YVYFAYPVOYARHI-DZGCQCFKSA-N 2 0 232.371 2.207 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000575439414 387123389 /nfs/dbraw/zinc/12/33/89/387123389.db2.gz JNDWJDYNBNDFRB-LLVKDONJSA-N 2 0 214.259 2.094 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000575439930 387125461 /nfs/dbraw/zinc/12/54/61/387125461.db2.gz ZEIIPPVGKLAWAN-SNVBAGLBSA-N 2 0 230.258 2.027 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000575440249 387127115 /nfs/dbraw/zinc/12/71/15/387127115.db2.gz XDVODBSQHVWQQS-SECBINFHSA-N 2 0 232.249 2.233 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])c(C)c1 ZINC000575440049 387128051 /nfs/dbraw/zinc/12/80/51/387128051.db2.gz ZSBFKXHQYVYTJH-CYBMUJFWSA-N 2 0 206.333 2.432 10 0 BEAERP CC(C)Oc1ccccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575438453 387129514 /nfs/dbraw/zinc/12/95/14/387129514.db2.gz KYMYEJXFLHJYIW-LBPRGKRZSA-N 2 0 222.332 2.213 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])c(F)c1F ZINC000575438357 387129595 /nfs/dbraw/zinc/12/95/95/387129595.db2.gz IDAQSBNGEWQATN-SECBINFHSA-N 2 0 214.259 2.012 10 0 BEAERP C[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643486552 387344024 /nfs/dbraw/zinc/34/40/24/387344024.db2.gz ZWLSGZKSJXQWEX-VXGBXAGGSA-N 2 0 210.365 2.154 10 0 BEAERP CC[C@H]([NH3+])CNc1cc[nH+]c(C)c1Cl ZINC000306567511 387388466 /nfs/dbraw/zinc/38/84/66/387388466.db2.gz ZZIMEIWAWPUGLY-QMMMGPOBSA-N 2 0 213.712 2.193 10 0 BEAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000643468260 387418198 /nfs/dbraw/zinc/41/81/98/387418198.db2.gz AZPXXAVLQURTEW-XQQFMLRXSA-N 2 0 212.381 2.399 10 0 BEAERP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000643468257 387418331 /nfs/dbraw/zinc/41/83/31/387418331.db2.gz AZPXXAVLQURTEW-AGIUHOORSA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1cc2ccccc2o1 ZINC000037713397 387564232 /nfs/dbraw/zinc/56/42/32/387564232.db2.gz MJLOHNXTQXZTQT-JTQLQIEISA-N 2 0 218.300 2.432 10 0 BEAERP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000422986869 387796287 /nfs/dbraw/zinc/79/62/87/387796287.db2.gz DNMLHUYUVHPUKP-DCAQKATOSA-N 2 0 232.318 2.152 10 0 BEAERP C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380760 387804131 /nfs/dbraw/zinc/80/41/31/387804131.db2.gz WGVAHBURXCRAAF-STQMWFEESA-N 2 0 248.370 2.015 10 0 BEAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC1(C)C ZINC000423209986 387994672 /nfs/dbraw/zinc/99/46/72/387994672.db2.gz GNMLBPDGIRBVSB-UVYIHGJDSA-N 2 0 222.376 2.294 10 0 BEAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CC2CCC1CC2 ZINC000335077909 388448743 /nfs/dbraw/zinc/44/87/43/388448743.db2.gz PXMJIOYUUJORNV-WXRRBKDZSA-N 2 0 222.376 2.154 10 0 BEAERP CC(C)C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000517229945 388543371 /nfs/dbraw/zinc/54/33/71/388543371.db2.gz MWSLNMXKRAGYSQ-STQMWFEESA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([C@@H]1CC1(C)C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000397604721 388483591 /nfs/dbraw/zinc/48/35/91/388483591.db2.gz NYIDTODQMWNFBO-NRWUCQMLSA-N 2 0 224.392 2.338 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000575438507 388623802 /nfs/dbraw/zinc/62/38/02/388623802.db2.gz JVUIUOBALOKWRJ-NSHDSACASA-N 2 0 214.259 2.094 10 0 BEAERP C([NH2+][C@@H]1CC[NH2+]C1)C(C1CCC1)C1CCC1 ZINC000530212071 388627764 /nfs/dbraw/zinc/62/77/64/388627764.db2.gz OGTXWUADSFCCET-CYBMUJFWSA-N 2 0 222.376 2.154 10 0 BEAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)COC)CC1 ZINC000124333312 388661955 /nfs/dbraw/zinc/66/19/55/388661955.db2.gz RUCWJQIFOBAATP-CYBMUJFWSA-N 2 0 242.407 2.075 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC2)[C@H](C)C1 ZINC000128678033 388785052 /nfs/dbraw/zinc/78/50/52/388785052.db2.gz XGTLWMFBTMPVOI-YPMHNXCESA-N 2 0 210.365 2.059 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400484443 533355230 /nfs/dbraw/zinc/35/52/30/533355230.db2.gz WYCJLVBMVIPEEC-NEPJUHHUSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400697977 533365083 /nfs/dbraw/zinc/36/50/83/533365083.db2.gz JMJYFPGMEWBMPI-DGCLKSJQSA-N 2 0 208.349 2.074 10 0 BEAERP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400437785 533374416 /nfs/dbraw/zinc/37/44/16/533374416.db2.gz LQCXUUUTKTTXIQ-DGCLKSJQSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400349967 533390581 /nfs/dbraw/zinc/39/05/81/533390581.db2.gz JQDXIKDVXFAYKC-UKRRQHHQSA-N 2 0 232.371 2.207 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400343398 533408574 /nfs/dbraw/zinc/40/85/74/533408574.db2.gz GJMBHJBDZLHHNZ-AEJSXWLSSA-N 2 0 238.297 2.163 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400396412 533410214 /nfs/dbraw/zinc/41/02/14/533410214.db2.gz JMJQZLZYFZJXHZ-UMVBOHGHSA-N 2 0 232.371 2.378 10 0 BEAERP CC(C)(C)[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266272 132330704 /nfs/dbraw/zinc/33/07/04/132330704.db2.gz QYAJDXZYFVATCJ-UHFFFAOYSA-N 2 0 247.386 2.066 10 0 BEAERP c1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000037918253 132345870 /nfs/dbraw/zinc/34/58/70/132345870.db2.gz ZWMRAEZOZCGGPE-OCCSQVGLSA-N 2 0 231.343 2.050 10 0 BEAERP CC[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1 ZINC000053698236 132363143 /nfs/dbraw/zinc/36/31/43/132363143.db2.gz IDYAQSAFHZRFAS-ZDUSSCGKSA-N 2 0 219.332 2.050 10 0 BEAERP COc1cccc([C@H](C)N2CCC[C@@H]([NH3+])C2)c1 ZINC000217502131 134248978 /nfs/dbraw/zinc/24/89/78/134248978.db2.gz VNEZORRJPBYODI-WCQYABFASA-N 2 0 234.343 2.179 10 0 BEAERP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000221033256 134318238 /nfs/dbraw/zinc/31/82/38/134318238.db2.gz GDEYBYFOSMAWJU-MELADBBJSA-N 2 0 240.391 2.003 10 0 BEAERP CCCC[N@@H+]1CC[C@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226858740 134370227 /nfs/dbraw/zinc/37/02/27/134370227.db2.gz VFTKUGRNJDBQKJ-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533067 135163968 /nfs/dbraw/zinc/16/39/68/135163968.db2.gz DMMMVAOWGRTAIL-MNOVXSKESA-N 2 0 232.318 2.093 10 0 BEAERP [NH3+]CC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261538129 135175460 /nfs/dbraw/zinc/17/54/60/135175460.db2.gz FFMKFAAKMUYHQK-GFCCVEGCSA-N 2 0 246.345 2.483 10 0 BEAERP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538257 135175568 /nfs/dbraw/zinc/17/55/68/135175568.db2.gz UNHYWDSVERHZFX-NWDGAFQWSA-N 2 0 246.345 2.483 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]12 ZINC000261589263 135230163 /nfs/dbraw/zinc/23/01/63/135230163.db2.gz WEYFXHHMOUYZGT-LXTZQOSWSA-N 2 0 242.366 2.369 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]12 ZINC000261589265 135230466 /nfs/dbraw/zinc/23/04/66/135230466.db2.gz WEYFXHHMOUYZGT-UKWPMUSOSA-N 2 0 242.366 2.369 10 0 BEAERP C[C@]1(C[N@@H+]2CCCC3(CCC3)C2)CC[NH2+]C1 ZINC000262053808 135277226 /nfs/dbraw/zinc/27/72/26/135277226.db2.gz QMMQNKPGITWMGY-ZDUSSCGKSA-N 2 0 222.376 2.252 10 0 BEAERP Cc1ccsc1C[NH2+]C(C)(C)CC[NH3+] ZINC000258819225 322876742 /nfs/dbraw/zinc/87/67/42/322876742.db2.gz LHMOYGPJAJSGPT-UHFFFAOYSA-N 2 0 212.362 2.274 10 0 BEAERP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000053012540 167114837 /nfs/dbraw/zinc/11/48/37/167114837.db2.gz WGJRLQSDNXREOY-GFCCVEGCSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C)O1 ZINC000052376096 167115605 /nfs/dbraw/zinc/11/56/05/167115605.db2.gz DNIHGOYTCZGHPB-MJBXVCDLSA-N 2 0 240.391 2.016 10 0 BEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000052382620 167003520 /nfs/dbraw/zinc/00/35/20/167003520.db2.gz VVKSTHPNDYXGAH-KBPBESRZSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935766 167004516 /nfs/dbraw/zinc/00/45/16/167004516.db2.gz JPUZVUJQSPBHJM-KBPBESRZSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 ZINC000053034384 167113465 /nfs/dbraw/zinc/11/34/65/167113465.db2.gz BBNHGTGWDNNCDL-NWDGAFQWSA-N 2 0 210.365 2.105 10 0 BEAERP CC(C)[NH2+]Cc1ccc(C[NH+]2CCCC2)o1 ZINC000045205592 167119176 /nfs/dbraw/zinc/11/91/76/167119176.db2.gz RSXZUJGPIXNCLV-UHFFFAOYSA-N 2 0 222.332 2.373 10 0 BEAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[NH3+] ZINC000037713123 167482688 /nfs/dbraw/zinc/48/26/88/167482688.db2.gz VKULFCBPUSIAEE-JHJVBQTASA-N 2 0 212.381 2.386 10 0 BEAERP CN(Cc1ccsc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911179 411329460 /nfs/dbraw/zinc/32/94/60/411329460.db2.gz TWWRUJOIBOSNLB-LBPRGKRZSA-N 2 0 224.373 2.180 10 0 BEAERP CC1=CC[N@H+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC000075423273 168112918 /nfs/dbraw/zinc/11/29/18/168112918.db2.gz VYKULKSOIVGCJA-CYBMUJFWSA-N 2 0 208.349 2.171 10 0 BEAERP CC1CCC([N@@H+]2CCC[NH2+]C[C@@H](C)C2)CC1 ZINC000049665444 168159145 /nfs/dbraw/zinc/15/91/45/168159145.db2.gz YWIXDRFLWVOTHD-ROKHWSDSSA-N 2 0 224.392 2.497 10 0 BEAERP CC1CCC([NH+]2CCC[NH2+]CCC2)CC1 ZINC000049665452 168159930 /nfs/dbraw/zinc/15/99/30/168159930.db2.gz UBPZFXXMDOLTPW-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP CCC(C)(C)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054626534 168287985 /nfs/dbraw/zinc/28/79/85/168287985.db2.gz LNZOOLLBJKYZLY-YOGCLGLASA-N 2 0 210.365 2.390 10 0 BEAERP C[C@@H](C[NH3+])c1ccc(C[NH+]2CCCC2)cc1 ZINC000083008023 411463991 /nfs/dbraw/zinc/46/39/91/411463991.db2.gz RMHXMDCUQXAVRK-LBPRGKRZSA-N 2 0 218.344 2.345 10 0 BEAERP CC[NH2+]CCCCC[N@H+](C)CCc1ccncc1 ZINC000052483132 170111453 /nfs/dbraw/zinc/11/14/53/170111453.db2.gz JPSDCHRULVMMEQ-UHFFFAOYSA-N 2 0 249.402 2.336 10 0 BEAERP CC[NH2+]CCC[C@H](C)OCC[NH+]1CCCCC1 ZINC000052670960 170112947 /nfs/dbraw/zinc/11/29/47/170112947.db2.gz UROBUMDOJSZVCR-AWEZNQCLSA-N 2 0 242.407 2.267 10 0 BEAERP CC[NH2+]C[C@@H](C(C)C)[N@H+](CCOC)[C@H](C)CC ZINC000052547177 170118425 /nfs/dbraw/zinc/11/84/25/170118425.db2.gz FBGPFHXLKLUTLN-KGLIPLIRSA-N 2 0 244.423 2.367 10 0 BEAERP CC[NH2+]C[C@@H](C)C[NH+]1CCC(C)(C)CC1 ZINC000061822665 170118708 /nfs/dbraw/zinc/11/87/08/170118708.db2.gz GNEUGHRFUJUVEY-GFCCVEGCSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]C[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC000069625400 170119479 /nfs/dbraw/zinc/11/94/79/170119479.db2.gz WJBMXZHIVRNCJQ-GFCCVEGCSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]C[C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012855 170119666 /nfs/dbraw/zinc/11/96/66/170119666.db2.gz CFBGFSKZQSAQNH-MOKVOYLWSA-N 2 0 224.392 2.497 10 0 BEAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012600 170122554 /nfs/dbraw/zinc/12/25/54/170122554.db2.gz IYBUQTNWSLPDKC-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478620 170123387 /nfs/dbraw/zinc/12/33/87/170123387.db2.gz DSVNNSLIOALTQQ-BFHYXJOUSA-N 2 0 242.407 2.120 10 0 BEAERP CC[NH2+]Cc1ccc(C[NH+]2CCCC2)s1 ZINC000045206492 170126184 /nfs/dbraw/zinc/12/61/84/170126184.db2.gz QIOGRRNQJDZCQN-UHFFFAOYSA-N 2 0 224.373 2.453 10 0 BEAERP CC[NH2+]Cc1ccccc1OCCC[NH+](C)C ZINC000033434450 170129305 /nfs/dbraw/zinc/12/93/05/170129305.db2.gz ULJPMYVJYUSGLG-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)CC ZINC000052446079 170129328 /nfs/dbraw/zinc/12/93/28/170129328.db2.gz SMGHDJSKEJSYNR-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP CC[NH2+][C@@H](C)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104199707 170139238 /nfs/dbraw/zinc/13/92/38/170139238.db2.gz YKKBNWXUCHXXFS-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C ZINC000049709044 170151335 /nfs/dbraw/zinc/15/13/35/170151335.db2.gz YEKSWNLCIDVODY-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000053860878 170167355 /nfs/dbraw/zinc/16/73/55/170167355.db2.gz HORDZPUCDIFSBL-KGLIPLIRSA-N 2 0 224.392 2.497 10 0 BEAERP CCOCC[N@H+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000104192037 170394298 /nfs/dbraw/zinc/39/42/98/170394298.db2.gz JVOAQMPVTZAWJQ-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@@H]1CC[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000049666534 171011527 /nfs/dbraw/zinc/01/15/27/171011527.db2.gz BPVWRRYFPHIJBW-CQSZACIVSA-N 2 0 247.386 2.088 10 0 BEAERP CC(C)=CCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000662267366 412060618 /nfs/dbraw/zinc/06/06/18/412060618.db2.gz UXTPSJBIZWRZIN-ZDUSSCGKSA-N 2 0 210.365 2.417 10 0 BEAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CCCOC)C1 ZINC000062029618 171041066 /nfs/dbraw/zinc/04/10/66/171041066.db2.gz SSJQXAJLUJDSAW-HZSPNIEDSA-N 2 0 242.407 2.108 10 0 BEAERP CC[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000070643944 171055568 /nfs/dbraw/zinc/05/55/68/171055568.db2.gz CYNAWBJZZAQDNS-XVSSEFHLSA-N 2 0 210.365 2.425 10 0 BEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C[NH3+] ZINC000036128037 171113127 /nfs/dbraw/zinc/11/31/27/171113127.db2.gz VQVFWUADTYGLOM-IUODEOHRSA-N 2 0 248.370 2.145 10 0 BEAERP CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267640 171308199 /nfs/dbraw/zinc/30/81/99/171308199.db2.gz PQKVKCDIFKJNHZ-VIFPVBQESA-N 2 0 237.322 2.340 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)CC1(C[NH3+])CCCC1 ZINC000051256531 171314745 /nfs/dbraw/zinc/31/47/45/171314745.db2.gz GWFHZIRQLKVAJN-ZDUSSCGKSA-N 2 0 242.407 2.252 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665265674 412208534 /nfs/dbraw/zinc/20/85/34/412208534.db2.gz ZAXVZOXMGIZBLA-HBNTYKKESA-N 2 0 232.318 2.009 10 0 BEAERP Cc1cc[nH+]c(NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663276013 412405733 /nfs/dbraw/zinc/40/57/33/412405733.db2.gz IRLSXOMLZDFYPK-LLVKDONJSA-N 2 0 207.321 2.175 10 0 BEAERP CCc1ccc([C@H](CC[NH3+])C[NH+](C)C)cc1 ZINC000076610442 171841717 /nfs/dbraw/zinc/84/17/17/171841717.db2.gz WSNLFHUHFOQMDF-CQSZACIVSA-N 2 0 220.360 2.243 10 0 BEAERP CCn1cc[nH+]c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000050614138 172228472 /nfs/dbraw/zinc/22/84/72/172228472.db2.gz SFEJGZCLYDDWHW-LBPRGKRZSA-N 2 0 236.363 2.045 10 0 BEAERP C[NH+]1CCC([C@@H]([NH3+])c2cccs2)CC1 ZINC000077304303 173000166 /nfs/dbraw/zinc/00/01/66/173000166.db2.gz CCKSRDNMDRAWOW-LLVKDONJSA-N 2 0 210.346 2.090 10 0 BEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CC1(C)C ZINC000052206231 173007192 /nfs/dbraw/zinc/00/71/92/173007192.db2.gz PAUYKLFAVXGBNF-NWDGAFQWSA-N 2 0 210.365 2.249 10 0 BEAERP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000101136407 173022579 /nfs/dbraw/zinc/02/25/79/173022579.db2.gz BINAJLITODPBLY-OLZOCXBDSA-N 2 0 204.317 2.028 10 0 BEAERP C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000075772268 173323947 /nfs/dbraw/zinc/32/39/47/173323947.db2.gz WSABCMHCIKCUJB-NNQSOWQGSA-N 2 0 232.371 2.362 10 0 BEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419381 173382902 /nfs/dbraw/zinc/38/29/02/173382902.db2.gz BTIFZQFVUGWNNT-ZIAGYGMSSA-N 2 0 240.391 2.018 10 0 BEAERP C[NH2+]Cc1cc(C[NH+]2CCCCC2)c(C)o1 ZINC000052421313 173386951 /nfs/dbraw/zinc/38/69/51/173386951.db2.gz FZBSJSFAPTXYFM-UHFFFAOYSA-N 2 0 222.332 2.293 10 0 BEAERP C[NH2+]Cc1oc(C[N@@H+]2CC[C@H](C)C2)cc1C ZINC000052484757 173399990 /nfs/dbraw/zinc/39/99/90/173399990.db2.gz HMTUFMAIURZGLH-JTQLQIEISA-N 2 0 222.332 2.149 10 0 BEAERP COC1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037265712 174031067 /nfs/dbraw/zinc/03/10/67/174031067.db2.gz FIRASDISUBELDJ-OCCSQVGLSA-N 2 0 240.391 2.005 10 0 BEAERP COCCCCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000124048936 174175678 /nfs/dbraw/zinc/17/56/78/174175678.db2.gz XQSOTEZEVIWDHR-KBPBESRZSA-N 2 0 242.407 2.218 10 0 BEAERP COCC[N@H+](C1CC1)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000042517874 174285670 /nfs/dbraw/zinc/28/56/70/174285670.db2.gz VSRJVFGSANNGDK-TZMCWYRMSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[N@H+](CC(C)C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042367657 174287027 /nfs/dbraw/zinc/28/70/27/174287027.db2.gz QKDOEPZNOIORCN-KGLIPLIRSA-N 2 0 242.407 2.108 10 0 BEAERP COCC[NH2+]CCC[N@H+](C)C1CCC(C)CC1 ZINC000053499894 174332521 /nfs/dbraw/zinc/33/25/21/174332521.db2.gz PKGWWYQPOGKLSJ-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP COc1cccc(C[N@H+](C)CCCCC(N)=[NH2+])c1 ZINC000049579783 175255909 /nfs/dbraw/zinc/25/59/09/175255909.db2.gz SXKQMEQTEQLNPW-UHFFFAOYSA-N 2 0 249.358 2.233 10 0 BEAERP COc1cccc(C[N@H+](CCC(N)=[NH2+])C(C)C)c1 ZINC000042529733 175257236 /nfs/dbraw/zinc/25/72/36/175257236.db2.gz FRKUPXIZMOGTGC-UHFFFAOYSA-N 2 0 249.358 2.232 10 0 BEAERP COc1cccc([C@H](C)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044511707 175292629 /nfs/dbraw/zinc/29/26/29/175292629.db2.gz VUKKALIDEVKYRB-LBPRGKRZSA-N 2 0 248.370 2.427 10 0 BEAERP C[C@@H](c1cccnc1)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049666657 176030435 /nfs/dbraw/zinc/03/04/35/176030435.db2.gz IEJZGRCNCZVRBA-MCIONIFRSA-N 2 0 247.386 2.320 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482368 176070210 /nfs/dbraw/zinc/07/02/10/176070210.db2.gz GJKWPNZHNYANFF-PNESKVBLSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052378900 176073534 /nfs/dbraw/zinc/07/35/34/176073534.db2.gz GUGTXAPYCDSAJB-SNVBAGLBSA-N 2 0 208.305 2.113 10 0 BEAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])CC2)[C@@H]1C ZINC000019479426 176120865 /nfs/dbraw/zinc/12/08/65/176120865.db2.gz RWWYMGPURNNWNQ-NQBHXWOUSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]1CCC[C@H]([NH+]2CCC[NH2+]CCC2)C1 ZINC000049665917 176140964 /nfs/dbraw/zinc/14/09/64/176140964.db2.gz YLBNJPUCWCPLDD-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1CC[NH+](CCc2ccncc2)CC[C@@H](C)[NH2+]1 ZINC000049666814 176170507 /nfs/dbraw/zinc/17/05/07/176170507.db2.gz BPEJRLWFICLCFM-ZIAGYGMSSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@@H]1CC[N@@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000055016300 176180518 /nfs/dbraw/zinc/18/05/18/176180518.db2.gz LLFVZNSTAWNKAJ-OCCSQVGLSA-N 2 0 218.344 2.418 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000042427265 176224585 /nfs/dbraw/zinc/22/45/85/176224585.db2.gz UULKCNKNLCNSLY-GHMZBOCLSA-N 2 0 224.373 2.307 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)C[C@H]1[NH3+] ZINC000068592723 176305414 /nfs/dbraw/zinc/30/54/14/176305414.db2.gz NJDHZADSNKQAJW-YRGRVCCFSA-N 2 0 218.344 2.244 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171884 176362261 /nfs/dbraw/zinc/36/22/61/176362261.db2.gz VGNQZVZHQGPECK-UPJWGTAASA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccccc1F ZINC000049708313 176371243 /nfs/dbraw/zinc/37/12/43/176371243.db2.gz URUTYXYLXYJVLC-YPMHNXCESA-N 2 0 236.334 2.180 10 0 BEAERP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CCN1C ZINC000123547320 176371695 /nfs/dbraw/zinc/37/16/95/176371695.db2.gz NBTYWYMYSVOWHV-HIFRSBDPSA-N 2 0 247.386 2.039 10 0 BEAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1CCCCC1 ZINC000052421265 176620616 /nfs/dbraw/zinc/62/06/16/176620616.db2.gz OYVHNXZXRPIXNT-GFCCVEGCSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@H](c1cccs1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068175 177049394 /nfs/dbraw/zinc/04/93/94/177049394.db2.gz QYMSWJMQVBNDBN-MNOVXSKESA-N 2 0 224.373 2.493 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000037910064 177110498 /nfs/dbraw/zinc/11/04/98/177110498.db2.gz WTXQLHOHNIIRTH-NSHDSACASA-N 2 0 204.317 2.130 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000042427377 177188995 /nfs/dbraw/zinc/18/89/95/177188995.db2.gz NMAOAWLKDGEAHC-AAEUAGOBSA-N 2 0 236.334 2.385 10 0 BEAERP C[C@H]1C[N@H+](CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049711344 177255049 /nfs/dbraw/zinc/25/50/49/177255049.db2.gz XJIIIDAGCBVIMP-FZMZJTMJSA-N 2 0 236.334 2.037 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC000049664212 177285287 /nfs/dbraw/zinc/28/52/87/177285287.db2.gz CPQBZFAVDHALIR-KBPBESRZSA-N 2 0 232.371 2.364 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+](C2CCC([NH3+])CC2)C1 ZINC000055144194 177312183 /nfs/dbraw/zinc/31/21/83/177312183.db2.gz DNAXEEVMEQWMET-MPEURRAXSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000053860469 177358966 /nfs/dbraw/zinc/35/89/66/177358966.db2.gz JCMILBPCTUUGHV-CYDGBPFRSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081415 177358993 /nfs/dbraw/zinc/35/89/93/177358993.db2.gz BPBXBTIVPVRTCY-XUXIUFHCSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1[NH3+] ZINC000068592720 177364986 /nfs/dbraw/zinc/36/49/86/177364986.db2.gz NJDHZADSNKQAJW-DYEKYZERSA-N 2 0 218.344 2.244 10 0 BEAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccsc1 ZINC000049713598 177365452 /nfs/dbraw/zinc/36/54/52/177365452.db2.gz NXYDQHHFOQCQHP-CMPLNLGQSA-N 2 0 224.373 2.102 10 0 BEAERP C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400323984 226340417 /nfs/dbraw/zinc/34/04/17/226340417.db2.gz BXMXHRVNXDWELE-RYUDHWBXSA-N 2 0 222.376 2.154 10 0 BEAERP Cc1ccsc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400327496 226340897 /nfs/dbraw/zinc/34/08/97/226340897.db2.gz BVNSXMXETVDCOM-MNOVXSKESA-N 2 0 224.373 2.144 10 0 BEAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400444223 226343638 /nfs/dbraw/zinc/34/36/38/226343638.db2.gz NDSIWXBKSSRKIZ-SCRDCRAPSA-N 2 0 248.370 2.344 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400458635 226343927 /nfs/dbraw/zinc/34/39/27/226343927.db2.gz QUYPIKPMWDZLCJ-SDDRHHMPSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400799861 229243663 /nfs/dbraw/zinc/24/36/63/229243663.db2.gz UHXAAPOBLNODAY-GXTWGEPZSA-N 2 0 218.344 2.083 10 0 BEAERP CC[NH2+]CC1CC[NH+]([C@H](C)C(C)C)CC1 ZINC000087645398 487673374 /nfs/dbraw/zinc/67/33/74/487673374.db2.gz GNJZAEROTBRHTK-GFCCVEGCSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251121972 487748636 /nfs/dbraw/zinc/74/86/36/487748636.db2.gz RHCJYCKPJRMLCA-MBNYWOFBSA-N 2 0 236.359 2.318 10 0 BEAERP CC(C)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252684160 487755568 /nfs/dbraw/zinc/75/55/68/487755568.db2.gz FZWFNVUGOHWPIL-NEPJUHHUSA-N 2 0 200.370 2.336 10 0 BEAERP FCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000121398294 487857451 /nfs/dbraw/zinc/85/74/51/487857451.db2.gz SSAZYFUHTFYPRJ-UHFFFAOYSA-N 2 0 228.355 2.154 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000666743703 487869454 /nfs/dbraw/zinc/86/94/54/487869454.db2.gz OUARPOHTBFNGAH-RTXFEEFZSA-N 2 0 210.365 2.282 10 0 BEAERP C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958808 323035196 /nfs/dbraw/zinc/03/51/96/323035196.db2.gz SQLKKHRGAVMYQI-BXUZGUMPSA-N 2 0 236.403 2.400 10 0 BEAERP CC(C)SCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669327 323177111 /nfs/dbraw/zinc/17/71/11/323177111.db2.gz GNAFTAHDJRBWNB-VXGBXAGGSA-N 2 0 230.421 2.106 10 0 BEAERP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH2+]CC1 ZINC000530221076 323218576 /nfs/dbraw/zinc/21/85/76/323218576.db2.gz WOPKGWJFFHNGKH-UHFFFAOYSA-N 2 0 234.334 2.400 10 0 BEAERP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000398074219 324216862 /nfs/dbraw/zinc/21/68/62/324216862.db2.gz KKKPFGNLGQAELN-KGYLQXTDSA-N 2 0 210.365 2.282 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000530217386 324533327 /nfs/dbraw/zinc/53/33/27/324533327.db2.gz BHFKWMTYZPUUMK-MJBXVCDLSA-N 2 0 222.376 2.320 10 0 BEAERP CCCC[NH+]1CCC([NH2+]C[C@H](C)COC)CC1 ZINC000131853289 325187732 /nfs/dbraw/zinc/18/77/32/325187732.db2.gz SBOQXCZYNVZFHV-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129114891 488046089 /nfs/dbraw/zinc/04/60/89/488046089.db2.gz NEOXQYHWGPUPDI-ZIAGYGMSSA-N 2 0 230.355 2.058 10 0 BEAERP Cc1cccc(NCCC2CC[NH2+]CC2)[nH+]1 ZINC000257653681 488077191 /nfs/dbraw/zinc/07/71/91/488077191.db2.gz OJJSLUOPLGKULM-UHFFFAOYSA-N 2 0 219.332 2.192 10 0 BEAERP CC(C)(CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000406020583 487495624 /nfs/dbraw/zinc/49/56/24/487495624.db2.gz DKRSTCGEYFGTAR-UBHSHLNASA-N 2 0 236.403 2.482 10 0 BEAERP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)C ZINC000227731475 487504837 /nfs/dbraw/zinc/50/48/37/487504837.db2.gz FZWFNVUGOHWPIL-NWDGAFQWSA-N 2 0 200.370 2.336 10 0 BEAERP CCc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)s1 ZINC000225364980 490050941 /nfs/dbraw/zinc/05/09/41/490050941.db2.gz CVUKREVVAWYEDL-JTQLQIEISA-N 2 0 224.373 2.010 10 0 BEAERP CC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127826337 490561661 /nfs/dbraw/zinc/56/16/61/490561661.db2.gz XHJKFHXMYOGRDK-CHWSQXEVSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126379 582501694 /nfs/dbraw/zinc/50/16/94/582501694.db2.gz FLJVLYOOVHKRJL-MBNYWOFBSA-N 2 0 222.376 2.391 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126375 582501711 /nfs/dbraw/zinc/50/17/11/582501711.db2.gz FLJVLYOOVHKRJL-DYEKYZERSA-N 2 0 222.376 2.391 10 0 BEAERP CC(C)CC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127975 582503103 /nfs/dbraw/zinc/50/31/03/582503103.db2.gz IKGITYXQIRLARY-KBPBESRZSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1C[C@H](C)C[NH2+][C@@H]1c1cccc(C[NH3+])c1 ZINC000757218732 582563496 /nfs/dbraw/zinc/56/34/96/582563496.db2.gz VXYXAFQBRSUKEJ-WDMOLILDSA-N 2 0 218.344 2.452 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400391877 533904649 /nfs/dbraw/zinc/90/46/49/533904649.db2.gz NMOSNFXIAQIZTQ-SDDRHHMPSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)s1 ZINC000037713602 525335660 /nfs/dbraw/zinc/33/56/60/525335660.db2.gz FMTMSUUORQAXPO-ZETCQYMHSA-N 2 0 218.753 2.401 10 0 BEAERP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400317829 528654980 /nfs/dbraw/zinc/65/49/80/528654980.db2.gz ADWZYTYVYVIVDH-JSGCOSHPSA-N 2 0 248.370 2.173 10 0 BEAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400744762 529312271 /nfs/dbraw/zinc/31/22/71/529312271.db2.gz UGJZIOLDSUREOJ-LOWDOPEQSA-N 2 0 210.365 2.153 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124310 582499203 /nfs/dbraw/zinc/49/92/03/582499203.db2.gz CFOLKHFBJXSDBV-QWHCGFSZSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757124093 582499378 /nfs/dbraw/zinc/49/93/78/582499378.db2.gz BUOKJDINPYODGE-STQMWFEESA-N 2 0 210.365 2.249 10 0 BEAERP CCCCC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757135093 582513509 /nfs/dbraw/zinc/51/35/09/582513509.db2.gz YJHDJPHXNCLKLL-UHFFFAOYSA-N 2 0 210.365 2.395 10 0 BEAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757134997 582514246 /nfs/dbraw/zinc/51/42/46/582514246.db2.gz XTUUDHBNECBTHM-BFHYXJOUSA-N 2 0 224.392 2.495 10 0 BEAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141656 582522353 /nfs/dbraw/zinc/52/23/53/582522353.db2.gz PQRGPTKUGIKWPX-OCCSQVGLSA-N 2 0 240.391 2.223 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757133715 586427150 /nfs/dbraw/zinc/42/71/50/586427150.db2.gz UAOGOGXWNSLEPY-QWHCGFSZSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1[NH2+]CCC[C@H]1c1cccc(C[NH3+])c1 ZINC000757208447 586437838 /nfs/dbraw/zinc/43/78/38/586437838.db2.gz CTCLSMKDQPZGJL-GXFFZTMASA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1[NH2+]CCC[C@H]1c1ccc(C[NH3+])cc1 ZINC000757212806 586439556 /nfs/dbraw/zinc/43/95/56/586439556.db2.gz JVTVIIIEEMFCBF-GXFFZTMASA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000757228643 586441199 /nfs/dbraw/zinc/44/11/99/586441199.db2.gz DLPBAYWPPBNAMF-OFTGVCEQSA-N 2 0 210.365 2.009 10 0 BEAERP [NH3+]CC[C@@H]1CC[C@H](c2cccs2)[NH2+]C1 ZINC000757216812 586441327 /nfs/dbraw/zinc/44/13/27/586441327.db2.gz QDGWVVXDSUOGIU-VHSXEESVSA-N 2 0 210.346 2.138 10 0 BEAERP C[C@H]1CC[C@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757216466 586441428 /nfs/dbraw/zinc/44/14/28/586441428.db2.gz PRAOCHHZTZVDRA-GXFFZTMASA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CC[C@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757216468 586441438 /nfs/dbraw/zinc/44/14/38/586441438.db2.gz PRAOCHHZTZVDRA-ZWNOBZJWSA-N 2 0 204.317 2.206 10 0 BEAERP CC(=O)c1cccc([C@@H]2CC[C@@H](CC[NH3+])C[NH2+]2)c1 ZINC000757217356 586441861 /nfs/dbraw/zinc/44/18/61/586441861.db2.gz RRNBYVOAYBYLNE-WFASDCNBSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2ccsc2)[NH2+]1 ZINC000757219088 586442449 /nfs/dbraw/zinc/44/24/49/586442449.db2.gz YBOQIHCDELCXDE-FXPVBKGRSA-N 2 0 210.346 2.136 10 0 BEAERP [NH3+]C[C@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757220424 586442467 /nfs/dbraw/zinc/44/24/67/586442467.db2.gz ZEBOMRMDUMCHEW-GXFFZTMASA-N 2 0 229.327 2.167 10 0 BEAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1C[NH3+] ZINC000757228597 586442866 /nfs/dbraw/zinc/44/28/66/586442866.db2.gz DBGPZWHRPRLHOO-JLUCKKNBSA-N 2 0 247.386 2.211 10 0 BEAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@H]1C[NH3+] ZINC000757228593 586442879 /nfs/dbraw/zinc/44/28/79/586442879.db2.gz DBGPZWHRPRLHOO-FKGLVLAHSA-N 2 0 247.386 2.211 10 0 BEAERP CC(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123543860 589748215 /nfs/dbraw/zinc/74/82/15/589748215.db2.gz OAMLCEKBCXOHRF-UHFFFAOYSA-N 2 0 240.391 2.019 10 0 BEAERP C[N@H+](CCSC(F)(F)F)CC(C)(C)C[NH3+] ZINC000123628136 592714463 /nfs/dbraw/zinc/71/44/63/592714463.db2.gz NZAUFZUPMGONOR-UHFFFAOYSA-N 2 0 244.326 2.156 10 0 BEAERP C[C@@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000258747410 635194383 /nfs/dbraw/zinc/19/43/83/635194383.db2.gz OAJRSNPMTWZTHI-XSRFYTQQSA-N 2 0 204.317 2.075 10 0 BEAERP CCc1cccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675055007 636576229 /nfs/dbraw/zinc/57/62/29/636576229.db2.gz PMLRJMBOBFNYEG-KBPBESRZSA-N 2 0 218.344 2.343 10 0 BEAERP CCC[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044515904 640399654 /nfs/dbraw/zinc/39/96/54/640399654.db2.gz REWLUOMXXLQSKJ-LBPRGKRZSA-N 2 0 212.381 2.354 10 0 BEAERP C[N@H+](CCCCCCC[NH3+])C[C@H]1CCCO1 ZINC000042466552 641552736 /nfs/dbraw/zinc/55/27/36/641552736.db2.gz YSFQAWKFTHNHOW-CYBMUJFWSA-N 2 0 228.380 2.006 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132728 643257851 /nfs/dbraw/zinc/25/78/51/643257851.db2.gz RRODXZYTRSHGBL-AVGNSLFASA-N 2 0 210.365 2.249 10 0 BEAERP [NH3+]C1CC(CNc2cc[nH+]c3ccccc23)C1 ZINC000091525115 644629318 /nfs/dbraw/zinc/62/93/18/644629318.db2.gz NRILAEBZYIJWLG-UHFFFAOYSA-N 2 0 227.311 2.384 10 0 BEAERP CC[C@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231775 711691441 /nfs/dbraw/zinc/69/14/41/711691441.db2.gz BKOKHDKCWOHQRU-RNJOBUHISA-N 2 0 210.365 2.377 10 0 BEAERP CC1(C)C[C@@]1(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000701984819 712034760 /nfs/dbraw/zinc/03/47/60/712034760.db2.gz KGFBHQGEMGDADL-AAEUAGOBSA-N 2 0 210.365 2.154 10 0 BEAERP Cc1cc(N(C)CCCCCC[NH3+])cc[nH+]1 ZINC000710758852 712256050 /nfs/dbraw/zinc/25/60/50/712256050.db2.gz LZGSDQVIRJATGG-UHFFFAOYSA-N 2 0 221.348 2.345 10 0 BEAERP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378853284 712366530 /nfs/dbraw/zinc/36/65/30/712366530.db2.gz WUNGRVAUFHEJGA-STQMWFEESA-N 2 0 210.365 2.380 10 0 BEAERP C[N@H+](CCCCCC[NH3+])Cc1ccncc1 ZINC000036776458 712494478 /nfs/dbraw/zinc/49/44/78/712494478.db2.gz FSTOTEIXAMMCLY-UHFFFAOYSA-N 2 0 221.348 2.033 10 0 BEAERP CC[C@@H]([C@@H]1CCOC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754528 712497818 /nfs/dbraw/zinc/49/78/18/712497818.db2.gz VWCFNDRUHWBHRL-OLZOCXBDSA-N 2 0 240.391 2.005 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000037484261 712650832 /nfs/dbraw/zinc/65/08/32/712650832.db2.gz VUNBDXXBGGGNBL-STQMWFEESA-N 2 0 212.381 2.354 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000037484263 712650972 /nfs/dbraw/zinc/65/09/72/712650972.db2.gz VUNBDXXBGGGNBL-QWHCGFSZSA-N 2 0 212.381 2.354 10 0 BEAERP C1=CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)CCC1 ZINC000719107984 712797612 /nfs/dbraw/zinc/79/76/12/712797612.db2.gz ZFGXYEBPCHVXOQ-QWHCGFSZSA-N 2 0 208.349 2.074 10 0 BEAERP CSC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000711035254 712275627 /nfs/dbraw/zinc/27/56/27/712275627.db2.gz WRVQDIQBLGAIBK-QWRGUYRKSA-N 2 0 230.421 2.106 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H]2CCC2(C)C)CC1 ZINC000714754756 712497856 /nfs/dbraw/zinc/49/78/56/712497856.db2.gz WJJYEJZLZOXYNB-NSHDSACASA-N 2 0 210.365 2.378 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H]2C)CC1 ZINC000714754360 712497895 /nfs/dbraw/zinc/49/78/95/712497895.db2.gz SBQSRSLCYURQSQ-VXGBXAGGSA-N 2 0 210.365 2.378 10 0 BEAERP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000717068694 712627877 /nfs/dbraw/zinc/62/78/77/712627877.db2.gz QJJCZEBCVDRKOM-REWJHTLYSA-N 2 0 222.376 2.154 10 0 BEAERP C1=CCCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000718066382 712740997 /nfs/dbraw/zinc/74/09/97/712740997.db2.gz HSNNYFRVBUORLG-LBPRGKRZSA-N 2 0 208.349 2.074 10 0 BEAERP Cc1cc[nH+]c(NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000721074968 712889893 /nfs/dbraw/zinc/88/98/93/712889893.db2.gz NNFWKZZZSBFCFN-VXGBXAGGSA-N 2 0 219.332 2.048 10 0 BEAERP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]cc1 ZINC000041677508 1168425693 /nfs/dbraw/zinc/42/56/93/1168425693.db2.gz SIWLFDHNUFEHCU-LLVKDONJSA-N 2 0 207.321 2.224 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955101 538900143 /nfs/dbraw/zinc/90/01/43/538900143.db2.gz SXJKNXOBSAGZPL-NSHDSACASA-N 2 0 210.365 2.378 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953000 538896372 /nfs/dbraw/zinc/89/63/72/538896372.db2.gz FHOVGWHXAYXIOA-JTQLQIEISA-N 2 0 232.318 2.376 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCC[C@@H](C)C2 ZINC000685953111 538897448 /nfs/dbraw/zinc/89/74/48/538897448.db2.gz GEOJHZJSLOOTFB-AGIUHOORSA-N 2 0 210.365 2.377 10 0 BEAERP CCC(CC)(C[NH3+])C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000051252585 168323051 /nfs/dbraw/zinc/32/30/51/168323051.db2.gz YVXBRSFJVLJHPL-STQMWFEESA-N 2 0 240.391 2.005 10 0 BEAERP CC(C)[N@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911954 349496364 /nfs/dbraw/zinc/49/63/64/349496364.db2.gz VOSYLBGQTHDAQA-ZDUSSCGKSA-N 2 0 210.365 2.106 10 0 BEAERP [NH3+][C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000071373386 398147880 /nfs/dbraw/zinc/14/78/80/398147880.db2.gz XSLBNUDXCRSMOS-GJZGRUSLSA-N 2 0 230.355 2.390 10 0 BEAERP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000307604088 398179355 /nfs/dbraw/zinc/17/93/55/398179355.db2.gz VFNPCQNJSROIDE-TZMCWYRMSA-N 2 0 218.344 2.022 10 0 BEAERP Cc1cc(N(C)C[C@@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000104315366 178098339 /nfs/dbraw/zinc/09/83/39/178098339.db2.gz MTNJJRIEJYOSTN-SNVBAGLBSA-N 2 0 229.327 2.327 10 0 BEAERP CC(C)n1ccc([C@@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536958542 398199112 /nfs/dbraw/zinc/19/91/12/398199112.db2.gz GUELLJRFJMKVGJ-ZDUSSCGKSA-N 2 0 233.359 2.083 10 0 BEAERP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000572868627 398203444 /nfs/dbraw/zinc/20/34/44/398203444.db2.gz UTZLIVYNSMQAFR-ONGXEEELSA-N 2 0 232.318 2.009 10 0 BEAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000572868626 398203513 /nfs/dbraw/zinc/20/35/13/398203513.db2.gz UTZLIVYNSMQAFR-MWLCHTKSSA-N 2 0 232.318 2.009 10 0 BEAERP CC(C)[N@H+](C)Cc1cc(F)cc(C[NH3+])c1 ZINC000162815246 538925289 /nfs/dbraw/zinc/92/52/89/538925289.db2.gz ZYMGJOAMHYRHHT-UHFFFAOYSA-N 2 0 210.296 2.125 10 0 BEAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)CC(F)F ZINC000647801179 398207735 /nfs/dbraw/zinc/20/77/35/398207735.db2.gz QGFMZSBJHBMJCY-IDKOKCKLSA-N 2 0 220.307 2.137 10 0 BEAERP Cc1cc([C@H](C)[NH3+])ccc1OCCC[NH+](C)C ZINC000041271957 178244390 /nfs/dbraw/zinc/24/43/90/178244390.db2.gz HRUIAHNMKKBPGD-LBPRGKRZSA-N 2 0 236.359 2.345 10 0 BEAERP CCC(CC)[N@@H+](CCOC)C[C@@H]([NH3+])[C@@H](C)CC ZINC000042681730 168374468 /nfs/dbraw/zinc/37/44/68/168374468.db2.gz WLQAXXKLRPTPLT-GXTWGEPZSA-N 2 0 244.423 2.497 10 0 BEAERP [NH3+]CC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381701761 398270223 /nfs/dbraw/zinc/27/02/23/398270223.db2.gz OWZFXWYLCUNNIF-LBPRGKRZSA-N 2 0 246.345 2.483 10 0 BEAERP CC[N@H+](CCCC[NH3+])Cc1ccccc1OC ZINC000149498162 342794394 /nfs/dbraw/zinc/79/43/94/342794394.db2.gz KCEPDIRGJZDZIT-UHFFFAOYSA-N 2 0 236.359 2.256 10 0 BEAERP CCN1C[C@H](C)[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648787 539006004 /nfs/dbraw/zinc/00/60/04/539006004.db2.gz CMJPDNRANLASLN-GFJIZPEISA-N 2 0 224.392 2.351 10 0 BEAERP CC(C)CC1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000391865933 259328383 /nfs/dbraw/zinc/32/83/83/259328383.db2.gz UMWSYAIHSHUYGL-UHFFFAOYSA-N 2 0 210.365 2.154 10 0 BEAERP CC[C@@H](C[NH2+]C1CC[NH2+]CC1)CC(F)(F)F ZINC000402663831 529489668 /nfs/dbraw/zinc/48/96/68/529489668.db2.gz LXHYQENXSLQAER-SECBINFHSA-N 2 0 238.297 2.307 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000020285976 342980577 /nfs/dbraw/zinc/98/05/77/342980577.db2.gz IFQRFSKEHYUZAT-RRFJBIMHSA-N 2 0 230.355 2.246 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@H]1CCC[NH2+]C1 ZINC000567642543 323034357 /nfs/dbraw/zinc/03/43/57/323034357.db2.gz STPJWAWPMBDMTB-AVGNSLFASA-N 2 0 242.432 2.250 10 0 BEAERP CSc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000259000157 343128691 /nfs/dbraw/zinc/12/86/91/343128691.db2.gz WSRZBLWCVCQOKD-LBPRGKRZSA-N 2 0 236.384 2.108 10 0 BEAERP CCSCC[NH2+]CC1CC[NH+](CC)CC1 ZINC000128921097 343175547 /nfs/dbraw/zinc/17/55/47/343175547.db2.gz OTSSKYXOMUTHEV-UHFFFAOYSA-N 2 0 230.421 2.061 10 0 BEAERP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]cc2)C1 ZINC000040624140 187264301 /nfs/dbraw/zinc/26/43/01/187264301.db2.gz LULGXHHEFHRZCP-GFCCVEGCSA-N 2 0 219.332 2.224 10 0 BEAERP CC(C)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000081043716 534943929 /nfs/dbraw/zinc/94/39/29/534943929.db2.gz YKDGTGNGDJSAKS-RLAWYHOSSA-N 2 0 224.392 2.493 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@@H](C)C2)oc1C ZINC000052484383 187271230 /nfs/dbraw/zinc/27/12/30/187271230.db2.gz QNOWPNUQGVRLLE-SNVBAGLBSA-N 2 0 222.332 2.149 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000037478513 537819805 /nfs/dbraw/zinc/81/98/05/537819805.db2.gz IENRIPWVIMJNFD-TXEJJXNPSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCC[NH2+]C1CC1 ZINC000037478529 537819981 /nfs/dbraw/zinc/81/99/81/537819981.db2.gz XBYIFMKFUHTDTK-VXGBXAGGSA-N 2 0 210.365 2.391 10 0 BEAERP CC[NH+]1CCC(C[C@H]2CCC[NH2+]C2)CC1 ZINC000107450268 344482768 /nfs/dbraw/zinc/48/27/68/344482768.db2.gz HLLCGDDXVNRIEW-CYBMUJFWSA-N 2 0 210.365 2.108 10 0 BEAERP CCC[C@@H](C)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553621 344653265 /nfs/dbraw/zinc/65/32/65/344653265.db2.gz IOXJCLCDXLUSLA-NEPJUHHUSA-N 2 0 200.370 2.352 10 0 BEAERP CCc1ccc([C@H]2[C@H]([NH3+])CCN2C)s1 ZINC000069799058 344814724 /nfs/dbraw/zinc/81/47/24/344814724.db2.gz QGKVGOILMQULDH-MWLCHTKSSA-N 2 0 210.346 2.014 10 0 BEAERP CCc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998169 345197377 /nfs/dbraw/zinc/19/73/77/345197377.db2.gz BTJGHYYNNDMFQW-QWRGUYRKSA-N 2 0 238.400 2.337 10 0 BEAERP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999901 345202152 /nfs/dbraw/zinc/20/21/52/345202152.db2.gz BWSUAAWMLIYNOP-OCCSQVGLSA-N 2 0 248.370 2.112 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000257351099 345773618 /nfs/dbraw/zinc/77/36/18/345773618.db2.gz CCEBVNAQRAWHIX-GUBZILKMSA-N 2 0 225.361 2.064 10 0 BEAERP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000235704588 345783870 /nfs/dbraw/zinc/78/38/70/345783870.db2.gz XTHDXODMLQSPJO-JSGCOSHPSA-N 2 0 218.344 2.164 10 0 BEAERP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000229564182 346437681 /nfs/dbraw/zinc/43/76/81/346437681.db2.gz KCZZSXHKDKNWQC-ZDUSSCGKSA-N 2 0 219.332 2.286 10 0 BEAERP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c1 ZINC000037484594 179094385 /nfs/dbraw/zinc/09/43/85/179094385.db2.gz DSDCVVHUHWCSTF-CQSZACIVSA-N 2 0 218.344 2.036 10 0 BEAERP C[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@H]1C[NH3+] ZINC000250223778 362797201 /nfs/dbraw/zinc/79/72/01/362797201.db2.gz IPJQFSDRLAVHDQ-LSDHHAIUSA-N 2 0 232.371 2.493 10 0 BEAERP [NH3+]C1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000051693134 136750117 /nfs/dbraw/zinc/75/01/17/136750117.db2.gz ZUTOLVXMYPISGT-UHFFFAOYSA-N 2 0 232.371 2.479 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563804508 323178333 /nfs/dbraw/zinc/17/83/33/323178333.db2.gz SKBBQGMGLYCSOD-LPWJVIDDSA-N 2 0 210.365 2.153 10 0 BEAERP C[NH+](C)CC[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041247967 490175757 /nfs/dbraw/zinc/17/57/57/490175757.db2.gz AAZBJHANSZZHKF-LLVKDONJSA-N 2 0 226.751 2.334 10 0 BEAERP CCSC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000596653194 348607235 /nfs/dbraw/zinc/60/72/35/348607235.db2.gz SUDINKVGFGONTJ-NSHDSACASA-N 2 0 228.405 2.004 10 0 BEAERP c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000060250577 350220157 /nfs/dbraw/zinc/22/01/57/350220157.db2.gz MEHGZKIWJHTWJU-AWEZNQCLSA-N 2 0 227.311 2.330 10 0 BEAERP C[C@H](Cc1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000062179945 350224003 /nfs/dbraw/zinc/22/40/03/350224003.db2.gz FAXZZSHMYNQZGA-CYBMUJFWSA-N 2 0 232.371 2.288 10 0 BEAERP C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000252208593 538085860 /nfs/dbraw/zinc/08/58/60/538085860.db2.gz VRAPUDSSFCIUIU-AGIUHOORSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H](CCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000052417486 350991680 /nfs/dbraw/zinc/99/16/80/350991680.db2.gz KUZISSLMWFPTFW-LBPRGKRZSA-N 2 0 206.333 2.246 10 0 BEAERP C[N@H+](Cc1occc1C[NH3+])Cc1ccccc1 ZINC000052417456 350992200 /nfs/dbraw/zinc/99/22/00/350992200.db2.gz UIUFQGGZAHIPTP-UHFFFAOYSA-N 2 0 230.311 2.370 10 0 BEAERP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000052417416 350992241 /nfs/dbraw/zinc/99/22/41/350992241.db2.gz GQZPCLANUFQCDT-ZDUSSCGKSA-N 2 0 220.360 2.364 10 0 BEAERP C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824526 351132286 /nfs/dbraw/zinc/13/22/86/351132286.db2.gz USAALUUCCKLXMC-GJZGRUSLSA-N 2 0 230.355 2.070 10 0 BEAERP CC[C@@H](C[NH3+])Nc1cc[nH+]c(C)c1Cl ZINC000307043568 351444559 /nfs/dbraw/zinc/44/45/59/351444559.db2.gz NADVLOOHALAGQM-QMMMGPOBSA-N 2 0 213.712 2.193 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])s1 ZINC000231959532 351482012 /nfs/dbraw/zinc/48/20/12/351482012.db2.gz CYCYCTFWAYJHJD-SECBINFHSA-N 2 0 210.346 2.191 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])s1 ZINC000231959535 351482034 /nfs/dbraw/zinc/48/20/34/351482034.db2.gz CYCYCTFWAYJHJD-VIFPVBQESA-N 2 0 210.346 2.191 10 0 BEAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]c(C)c1 ZINC000274936476 351588375 /nfs/dbraw/zinc/58/83/75/351588375.db2.gz SBOKXBMRPXWNCJ-CQSZACIVSA-N 2 0 233.359 2.311 10 0 BEAERP CCC(C)(C)[NH2+]C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270751 538102417 /nfs/dbraw/zinc/10/24/17/538102417.db2.gz SCRDDYKEFIQSLN-AKJDGMEZSA-N 2 0 210.365 2.425 10 0 BEAERP CCC(C)(C)[NH2+]C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270753 538102800 /nfs/dbraw/zinc/10/28/00/538102800.db2.gz SCRDDYKEFIQSLN-QWKFWESOSA-N 2 0 210.365 2.425 10 0 BEAERP CCC1([NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000536952821 323959878 /nfs/dbraw/zinc/95/98/78/323959878.db2.gz FEGJLKOMJMKUSN-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C[N@H+](Cc1ccsc1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223120810 353138080 /nfs/dbraw/zinc/13/80/80/353138080.db2.gz PPDSNSFPEZEQIL-MNOVXSKESA-N 2 0 210.346 2.060 10 0 BEAERP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC000049712996 188298618 /nfs/dbraw/zinc/29/86/18/188298618.db2.gz WYCGVYQTJANWEN-UKRRQHHQSA-N 2 0 232.371 2.425 10 0 BEAERP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC000070199453 188305172 /nfs/dbraw/zinc/30/51/72/188305172.db2.gz GZPCMLPHWOEBGV-OCCSQVGLSA-N 2 0 248.370 2.254 10 0 BEAERP CC(C)(C[NH2+]C1CC1)C[NH+]1CCCCC1 ZINC000051211092 188331694 /nfs/dbraw/zinc/33/16/94/188331694.db2.gz QKWRKWWNDGPYFS-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532271 353796197 /nfs/dbraw/zinc/79/61/97/353796197.db2.gz YMGDCRMGDSALPQ-UONOGXRCSA-N 2 0 230.355 2.388 10 0 BEAERP CCC[C@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959887 192526274 /nfs/dbraw/zinc/52/62/74/192526274.db2.gz AGZIZEOOKNUDMS-GVWAJWJKSA-N 2 0 208.349 2.048 10 0 BEAERP C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CC[NH2+]C1 ZINC000423117565 192573083 /nfs/dbraw/zinc/57/30/83/192573083.db2.gz VYQQMJICQRDZGF-JQWIXIFHSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675070226 538501269 /nfs/dbraw/zinc/50/12/69/538501269.db2.gz SHDGWZLHRKNHAH-BETUJISGSA-N 2 0 236.403 2.497 10 0 BEAERP CC[C@H](C1CC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389587789 356995797 /nfs/dbraw/zinc/99/57/97/356995797.db2.gz KEGXEDYYWKRYHS-RAIGVLPGSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000583018741 357450628 /nfs/dbraw/zinc/45/06/28/357450628.db2.gz MUQZJNWSWYYFQJ-SYQHCUMBSA-N 2 0 224.392 2.400 10 0 BEAERP CC(C)[NH+](C(C)C)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951101 538894573 /nfs/dbraw/zinc/89/45/73/538894573.db2.gz NASCSBQSQORPJN-ITGUQSILSA-N 2 0 212.381 2.349 10 0 BEAERP CC[C@@H]1CCC[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950847 538894706 /nfs/dbraw/zinc/89/47/06/538894706.db2.gz FETHWMACROPDLE-RWMBFGLXSA-N 2 0 224.392 2.352 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951092 538894731 /nfs/dbraw/zinc/89/47/31/538894731.db2.gz MSDXRQCKWQTYTQ-RNJOBUHISA-N 2 0 224.392 2.208 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCC2(CCC2)C1 ZINC000685951658 538895125 /nfs/dbraw/zinc/89/51/25/538895125.db2.gz VHIJIINIUUZUBS-VXGBXAGGSA-N 2 0 222.376 2.106 10 0 BEAERP CC[C@@H]1CCCC[N@@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951674 538895190 /nfs/dbraw/zinc/89/51/90/538895190.db2.gz VNKPZUHMUAAWMQ-JHJVBQTASA-N 2 0 224.392 2.495 10 0 BEAERP CC[C@@H]1CCCC[N@@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951683 538895265 /nfs/dbraw/zinc/89/52/65/538895265.db2.gz VNKPZUHMUAAWMQ-RQJABVFESA-N 2 0 224.392 2.495 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951779 538895532 /nfs/dbraw/zinc/89/55/32/538895532.db2.gz YBEXMWBJOJKQSU-LPWJVIDDSA-N 2 0 224.392 2.351 10 0 BEAERP CC[C@H]1CC[C@@H](CC[N@H+](C)CC)[NH+](C)C1 ZINC000584627576 358297418 /nfs/dbraw/zinc/29/74/18/358297418.db2.gz XWUGWNNMONIIBW-STQMWFEESA-N 2 0 212.381 2.449 10 0 BEAERP C[C@@H](CC[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000134272168 358784787 /nfs/dbraw/zinc/78/47/87/358784787.db2.gz WPFXJDAIGGQONV-JTQLQIEISA-N 2 0 215.300 2.384 10 0 BEAERP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C)C1 ZINC000070047154 359040212 /nfs/dbraw/zinc/04/02/12/359040212.db2.gz WAZANJHJVJQXDB-GFCCVEGCSA-N 2 0 219.332 2.286 10 0 BEAERP [NH3+]C1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000123970464 181341289 /nfs/dbraw/zinc/34/12/89/181341289.db2.gz VCLNCJMKZAAUSJ-UHFFFAOYSA-N 2 0 224.270 2.188 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000051693126 181341712 /nfs/dbraw/zinc/34/17/12/181341712.db2.gz AWCPUCFILXQBND-PNESKVBLSA-N 2 0 208.349 2.202 10 0 BEAERP CCc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074081398 541312583 /nfs/dbraw/zinc/31/25/83/541312583.db2.gz SWQJKRNHSDZRRR-UONOGXRCSA-N 2 0 218.344 2.343 10 0 BEAERP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1C ZINC000074081390 541313218 /nfs/dbraw/zinc/31/32/18/541313218.db2.gz YYSUSENLHFYVJK-KBPBESRZSA-N 2 0 218.344 2.397 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630370013 364087741 /nfs/dbraw/zinc/08/77/41/364087741.db2.gz YJAYDCHHHZHORS-IHRRRGAJSA-N 2 0 242.407 2.107 10 0 BEAERP Cc1[nH+]ccc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1Cl ZINC000630533139 364224490 /nfs/dbraw/zinc/22/44/90/364224490.db2.gz NMHXUVXKQFIGKF-SCZZXKLOSA-N 2 0 239.750 2.018 10 0 BEAERP C[C@@H]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C[NH2+]1 ZINC000630535741 364231231 /nfs/dbraw/zinc/23/12/31/364231231.db2.gz ZMLXRFOZTCIYBW-VXGBXAGGSA-N 2 0 241.338 2.209 10 0 BEAERP [NH3+]CC1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000076677855 181365753 /nfs/dbraw/zinc/36/57/53/181365753.db2.gz MWGYTDSQNBWRCE-HUUCEWRRSA-N 2 0 230.355 2.103 10 0 BEAERP [NH3+]CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037713858 181382844 /nfs/dbraw/zinc/38/28/44/181382844.db2.gz KLFYPKWBHPWBLP-ZDUSSCGKSA-N 2 0 222.307 2.215 10 0 BEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574308209 365033350 /nfs/dbraw/zinc/03/33/50/365033350.db2.gz SGGKFFULWKQPAG-ZIAGYGMSSA-N 2 0 248.370 2.043 10 0 BEAERP CCCCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574683573 365118642 /nfs/dbraw/zinc/11/86/42/365118642.db2.gz SCUSIQYLQQJZBH-ZIAGYGMSSA-N 2 0 242.407 2.171 10 0 BEAERP C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000566908914 326092845 /nfs/dbraw/zinc/09/28/45/326092845.db2.gz GRUXSNXTSQETBN-DGCLKSJQSA-N 2 0 242.432 2.107 10 0 BEAERP CC(C)([NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004204177 368907457 /nfs/dbraw/zinc/90/74/57/368907457.db2.gz VKMDDONHDBJSAT-ZDUSSCGKSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000631836731 369088846 /nfs/dbraw/zinc/08/88/46/369088846.db2.gz FZKXJWXTONATET-YPMHNXCESA-N 2 0 210.365 2.093 10 0 BEAERP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000631838118 369117149 /nfs/dbraw/zinc/11/71/49/369117149.db2.gz JCFAJTAOGPHUTK-YPMHNXCESA-N 2 0 244.338 2.459 10 0 BEAERP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839555 369143330 /nfs/dbraw/zinc/14/33/30/369143330.db2.gz HRABYVDZHUTUSH-WZRBSPASSA-N 2 0 236.334 2.413 10 0 BEAERP Cc1cccc(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839692 369170264 /nfs/dbraw/zinc/17/02/64/369170264.db2.gz JRSKBYAHNSJXSG-KGLIPLIRSA-N 2 0 232.371 2.330 10 0 BEAERP [NH3+]Cc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000042443317 181488023 /nfs/dbraw/zinc/48/80/23/181488023.db2.gz RMVDUKVAUJNFTE-UHFFFAOYSA-N 2 0 236.384 2.084 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000631837644 372628480 /nfs/dbraw/zinc/62/84/80/372628480.db2.gz DMPVVFJVZVNNRC-HIFRSBDPSA-N 2 0 232.371 2.330 10 0 BEAERP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841636 372637953 /nfs/dbraw/zinc/63/79/53/372637953.db2.gz NKARUANFGWFBQI-WOPDTQHZSA-N 2 0 236.334 2.413 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837983 372606184 /nfs/dbraw/zinc/60/61/84/372606184.db2.gz YLUVTZHTSBIQDK-RYUDHWBXSA-N 2 0 212.381 2.339 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000039375628 372955580 /nfs/dbraw/zinc/95/55/80/372955580.db2.gz ZRFTWJWAWCDYRI-VIFPVBQESA-N 2 0 218.222 2.054 10 0 BEAERP C[C@H]1CCC[C@@H](C[NH3+])N1Cc1ccccc1 ZINC000069721359 373648486 /nfs/dbraw/zinc/64/84/86/373648486.db2.gz AZKQWCPTAGSIIP-JSGCOSHPSA-N 2 0 218.344 2.388 10 0 BEAERP CCOCCC[N@@H+]1CC[C@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049665161 170375394 /nfs/dbraw/zinc/37/53/94/170375394.db2.gz ZXUCZIOMPLRTAA-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[N@H+](C)CCCOc1ccc(C[NH3+])cc1 ZINC000037097909 169076687 /nfs/dbraw/zinc/07/66/87/169076687.db2.gz BZBAFCVNHCYHKR-UHFFFAOYSA-N 2 0 236.359 2.256 10 0 BEAERP CCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052444492 169081464 /nfs/dbraw/zinc/08/14/64/169081464.db2.gz SAMUHTHSKITECU-UHFFFAOYSA-N 2 0 239.363 2.262 10 0 BEAERP CCCN(CC[NH+](C)C)C[C@@](C)(C[NH3+])CCC ZINC000051254307 169158707 /nfs/dbraw/zinc/15/87/07/169158707.db2.gz ZYKCFEUOIDCJKF-CQSZACIVSA-N 2 0 243.439 2.025 10 0 BEAERP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038095349 169187779 /nfs/dbraw/zinc/18/77/79/169187779.db2.gz ZXJAOOROMBMYMS-AWEZNQCLSA-N 2 0 240.391 2.020 10 0 BEAERP c1cc(C[NH+]2CCC(C[NH2+]C3CC3)CC2)ccn1 ZINC000053660034 183340912 /nfs/dbraw/zinc/34/09/12/183340912.db2.gz AVWOHEBNAYAPMV-UHFFFAOYSA-N 2 0 245.370 2.046 10 0 BEAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052541012 169257929 /nfs/dbraw/zinc/25/79/29/169257929.db2.gz QIJDTYKEJJNQIR-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000053654601 169264886 /nfs/dbraw/zinc/26/48/86/169264886.db2.gz SIRDCSHDTFKMJH-CYBMUJFWSA-N 2 0 212.381 2.354 10 0 BEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC(C)C)O1 ZINC000052452820 169265031 /nfs/dbraw/zinc/26/50/31/169265031.db2.gz LNPBERLHCJEFHU-KGLIPLIRSA-N 2 0 242.407 2.121 10 0 BEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053012495 183394180 /nfs/dbraw/zinc/39/41/80/183394180.db2.gz LXEIXMWEIAAYIQ-OAHLLOKOSA-N 2 0 244.382 2.303 10 0 BEAERP CCCO[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C)C1 ZINC000052371620 169312641 /nfs/dbraw/zinc/31/26/41/169312641.db2.gz LELHJQVBYYIXQO-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CCCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713326 169320844 /nfs/dbraw/zinc/32/08/44/169320844.db2.gz BRJLWIICCWLYAW-GFCCVEGCSA-N 2 0 236.359 2.475 10 0 BEAERP CC[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000222737833 134334076 /nfs/dbraw/zinc/33/40/76/134334076.db2.gz ZJKRQSXLDKXDQX-XQQFMLRXSA-N 2 0 210.365 2.247 10 0 BEAERP CS[C@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336460624 383951861 /nfs/dbraw/zinc/95/18/61/383951861.db2.gz OMKRDNQHACRNCX-OLZOCXBDSA-N 2 0 242.432 2.204 10 0 BEAERP [NH3+]C1CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000313249575 384149557 /nfs/dbraw/zinc/14/95/57/384149557.db2.gz BCEWFRCBLJXHHQ-UHFFFAOYSA-N 2 0 240.391 2.053 10 0 BEAERP C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]CC1 ZINC000302315798 384139892 /nfs/dbraw/zinc/13/98/92/384139892.db2.gz BSXGTXXWHUMIPC-VXGBXAGGSA-N 2 0 246.345 2.496 10 0 BEAERP C[NH+](C)CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095074240 384350473 /nfs/dbraw/zinc/35/04/73/384350473.db2.gz QZSJRXMQIBBGSH-HNNXBMFYSA-N 2 0 232.371 2.460 10 0 BEAERP Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1C ZINC000037713395 384512938 /nfs/dbraw/zinc/51/29/38/384512938.db2.gz WSKCMBQDHNUXCM-GFCCVEGCSA-N 2 0 206.333 2.303 10 0 BEAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])c1ccccc1 ZINC000011848778 384618710 /nfs/dbraw/zinc/61/87/10/384618710.db2.gz WLJVCQIISALCSF-OAHLLOKOSA-N 2 0 243.354 2.098 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000100256594 384627325 /nfs/dbraw/zinc/62/73/25/384627325.db2.gz CCEBVNAQRAWHIX-BBBLOLIVSA-N 2 0 225.361 2.064 10 0 BEAERP [NH3+][C@@H]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000100278990 384630870 /nfs/dbraw/zinc/63/08/70/384630870.db2.gz AHXUSIGCLDCNNO-HUUCEWRRSA-N 2 0 230.355 2.390 10 0 BEAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000041721333 384631320 /nfs/dbraw/zinc/63/13/20/384631320.db2.gz VSIXFMRVEFVKPQ-XHDPSFHLSA-N 2 0 239.322 2.033 10 0 BEAERP [NH3+][C@@H]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000100278995 384631907 /nfs/dbraw/zinc/63/19/07/384631907.db2.gz AHXUSIGCLDCNNO-CABCVRRESA-N 2 0 230.355 2.390 10 0 BEAERP Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000336099543 384890596 /nfs/dbraw/zinc/89/05/96/384890596.db2.gz LIGWOJRSNFICBU-QWRGUYRKSA-N 2 0 229.327 2.113 10 0 BEAERP CC[C@H](C[NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293962 384895623 /nfs/dbraw/zinc/89/56/23/384895623.db2.gz NDDFXINAVDENOT-UONOGXRCSA-N 2 0 232.371 2.379 10 0 BEAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(OC)cc1 ZINC000037713323 385308223 /nfs/dbraw/zinc/30/82/23/385308223.db2.gz MUIPBFOQVHYMAW-CYBMUJFWSA-N 2 0 222.332 2.085 10 0 BEAERP CCCOc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398348665 385285794 /nfs/dbraw/zinc/28/57/94/385285794.db2.gz YHWQDHUNLPWUHM-CQSZACIVSA-N 2 0 248.370 2.175 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1csc2ccccc12 ZINC000259418442 385429744 /nfs/dbraw/zinc/42/97/44/385429744.db2.gz OXSUHHMOHOCTHE-JTQLQIEISA-N 2 0 206.314 2.250 10 0 BEAERP CC1(C)CCC([NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000335173470 385589809 /nfs/dbraw/zinc/58/98/09/385589809.db2.gz GDCGMJKQWCXLEA-NSHDSACASA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000414864994 385771008 /nfs/dbraw/zinc/77/10/08/385771008.db2.gz CKCDTTSOKDNWMP-UTUOFQBUSA-N 2 0 210.365 2.153 10 0 BEAERP C[N@H+](CC1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911741 386531993 /nfs/dbraw/zinc/53/19/93/386531993.db2.gz VANHTBOUHLOTGK-AWEZNQCLSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@]1(C[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062910884 386533157 /nfs/dbraw/zinc/53/31/57/386533157.db2.gz QFRNEIPTURIHDI-OAHLLOKOSA-N 2 0 230.355 2.044 10 0 BEAERP CCN1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000061839591 386547137 /nfs/dbraw/zinc/54/71/37/386547137.db2.gz FYQBBVLSWUFMPO-GFCCVEGCSA-N 2 0 212.381 2.497 10 0 BEAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000520216770 386601299 /nfs/dbraw/zinc/60/12/99/386601299.db2.gz DLYURNFPCJIEBM-DGCLKSJQSA-N 2 0 224.392 2.400 10 0 BEAERP CCOc1cccc([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575437922 387112723 /nfs/dbraw/zinc/11/27/23/387112723.db2.gz BEMIFLSYSBGOME-ZDUSSCGKSA-N 2 0 222.332 2.214 10 0 BEAERP CCOc1cccc([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575438820 387119291 /nfs/dbraw/zinc/11/92/91/387119291.db2.gz BEMIFLSYSBGOME-CYBMUJFWSA-N 2 0 222.332 2.214 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc2[nH]ccc21 ZINC000575438819 387120073 /nfs/dbraw/zinc/12/00/73/387120073.db2.gz BDYHKMDUBRPURR-GFCCVEGCSA-N 2 0 217.316 2.297 10 0 BEAERP Cc1cccc([C@H]([NH3+])CCCC[NH3+])c1C ZINC000575439446 387124357 /nfs/dbraw/zinc/12/43/57/387124357.db2.gz LVONLQFEROQLEC-CYBMUJFWSA-N 2 0 206.333 2.432 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000575439419 387124654 /nfs/dbraw/zinc/12/46/54/387124654.db2.gz JTSLTANBUJAEIL-SNVBAGLBSA-N 2 0 232.249 2.233 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000575439809 387125410 /nfs/dbraw/zinc/12/54/10/387125410.db2.gz XXPFZHZPONBCLI-LLVKDONJSA-N 2 0 212.724 2.469 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000575440070 387128077 /nfs/dbraw/zinc/12/80/77/387128077.db2.gz ILIJCDVJAFOINQ-JTQLQIEISA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000575440424 387133604 /nfs/dbraw/zinc/13/36/04/387133604.db2.gz UQOLLKVZNZMZFH-JTQLQIEISA-N 2 0 228.723 2.174 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000575440359 387139923 /nfs/dbraw/zinc/13/99/23/387139923.db2.gz PUCWBIFAQYRITR-JTQLQIEISA-N 2 0 216.687 2.218 10 0 BEAERP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000572234169 387282680 /nfs/dbraw/zinc/28/26/80/387282680.db2.gz FEMNKQVVEXGLPR-FQUUOJAGSA-N 2 0 242.407 2.025 10 0 BEAERP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000514825107 387290422 /nfs/dbraw/zinc/29/04/22/387290422.db2.gz QEYOBSCCCMIUKY-VXGBXAGGSA-N 2 0 222.376 2.154 10 0 BEAERP CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000514872173 387306246 /nfs/dbraw/zinc/30/62/46/387306246.db2.gz CNIYRLDRPMSTKJ-KBPBESRZSA-N 2 0 242.407 2.027 10 0 BEAERP CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000514872176 387306566 /nfs/dbraw/zinc/30/65/66/387306566.db2.gz CNIYRLDRPMSTKJ-UONOGXRCSA-N 2 0 242.407 2.027 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000037713472 387564116 /nfs/dbraw/zinc/56/41/16/387564116.db2.gz DRTBXJAAXCIMED-VIFPVBQESA-N 2 0 244.285 2.287 10 0 BEAERP Cc1ccc([C@@H]([NH2+]CCC[NH3+])C2CC2)cc1 ZINC000037713746 387566199 /nfs/dbraw/zinc/56/61/99/387566199.db2.gz GZSKZTVKJJWWJV-CQSZACIVSA-N 2 0 218.344 2.385 10 0 BEAERP C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC[NH2+]C1 ZINC000423117564 387898668 /nfs/dbraw/zinc/89/86/68/387898668.db2.gz VYQQMJICQRDZGF-CMPLNLGQSA-N 2 0 246.345 2.400 10 0 BEAERP [NH3+]C1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000423131865 387908906 /nfs/dbraw/zinc/90/89/06/387908906.db2.gz SZBHCFOMSLZJEQ-UHFFFAOYSA-N 2 0 214.328 2.128 10 0 BEAERP C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400455838 387955952 /nfs/dbraw/zinc/95/59/52/387955952.db2.gz PXOSVAOOPGUQJY-UONOGXRCSA-N 2 0 248.370 2.043 10 0 BEAERP Cc1cccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423167015 387950148 /nfs/dbraw/zinc/95/01/48/387950148.db2.gz RSXGHKPQPWSXEQ-NWDGAFQWSA-N 2 0 218.344 2.254 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400531764 388006671 /nfs/dbraw/zinc/00/66/71/388006671.db2.gz RZBGEVOOCBVBTQ-ITGHMWBKSA-N 2 0 224.392 2.399 10 0 BEAERP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC1(C)C ZINC000423209985 387996121 /nfs/dbraw/zinc/99/61/21/387996121.db2.gz GNMLBPDGIRBVSB-OCIKQUFWSA-N 2 0 222.376 2.294 10 0 BEAERP C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400549541 388023377 /nfs/dbraw/zinc/02/33/77/388023377.db2.gz XAAGZNIFIKAVPL-MEBFFEOJSA-N 2 0 224.392 2.399 10 0 BEAERP CN1CCCC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000250556855 388177490 /nfs/dbraw/zinc/17/74/90/388177490.db2.gz BGMKFAOTMVIHHI-KOLCDFICSA-N 2 0 210.346 2.232 10 0 BEAERP Cc1ccccc1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400328520 388116475 /nfs/dbraw/zinc/11/64/75/388116475.db2.gz BCNWOPJALMFQLV-HIFRSBDPSA-N 2 0 232.371 2.125 10 0 BEAERP C[C@H]1c2ccsc2CC[N@H+]1CCC[NH3+] ZINC000042740266 388445380 /nfs/dbraw/zinc/44/53/80/388445380.db2.gz CEBKBHQLLPJXIW-VIFPVBQESA-N 2 0 210.346 2.016 10 0 BEAERP Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000336099541 388456175 /nfs/dbraw/zinc/45/61/75/388456175.db2.gz LIGWOJRSNFICBU-GHMZBOCLSA-N 2 0 229.327 2.113 10 0 BEAERP CC(C)CSCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000397302137 388458319 /nfs/dbraw/zinc/45/83/19/388458319.db2.gz GLWDVPHTUWRKII-GFCCVEGCSA-N 2 0 230.421 2.107 10 0 BEAERP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)C(C)C ZINC000261550799 135190277 /nfs/dbraw/zinc/19/02/77/135190277.db2.gz PRXVBVOADQYXIK-OLZOCXBDSA-N 2 0 212.381 2.352 10 0 BEAERP CCOc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000575439517 388628853 /nfs/dbraw/zinc/62/88/53/388628853.db2.gz CNSFFHISGYAROU-ZDUSSCGKSA-N 2 0 222.332 2.214 10 0 BEAERP Cc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1F ZINC000575440479 388631727 /nfs/dbraw/zinc/63/17/27/388631727.db2.gz XRBSQQPPKWURBT-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400391670 533368241 /nfs/dbraw/zinc/36/82/41/533368241.db2.gz IZXPQYUUTYCJHF-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H](C[NH3+])Nc1cc[nH+]c2cc(F)ccc12 ZINC000038952753 322829735 /nfs/dbraw/zinc/82/97/35/322829735.db2.gz LDCVMWCWYYQNNI-QMMMGPOBSA-N 2 0 219.263 2.133 10 0 BEAERP C[C@@H]([NH3+])c1ccccc1N1CCC([NH+](C)C)CC1 ZINC000036192325 132340464 /nfs/dbraw/zinc/34/04/64/132340464.db2.gz HOVGYUXHJVAECV-GFCCVEGCSA-N 2 0 247.386 2.237 10 0 BEAERP C[C@@]1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000219865204 134292360 /nfs/dbraw/zinc/29/23/60/134292360.db2.gz MNRPAPMXGASSBW-HZPDHXFCSA-N 2 0 244.382 2.476 10 0 BEAERP CC[N@H+](CCNc1cc[nH+]cc1C)C1CC1 ZINC000219963280 134295719 /nfs/dbraw/zinc/29/57/19/134295719.db2.gz SIJYKJFKHNQBJJ-UHFFFAOYSA-N 2 0 219.332 2.286 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226857769 134369951 /nfs/dbraw/zinc/36/99/51/134369951.db2.gz PPICIUYARLKCGY-QWHCGFSZSA-N 2 0 210.365 2.203 10 0 BEAERP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539336 134383014 /nfs/dbraw/zinc/38/30/14/134383014.db2.gz FJYHVTRNMJTIEA-DFBGVHRSSA-N 2 0 248.370 2.128 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCO1 ZINC000251710174 135074307 /nfs/dbraw/zinc/07/43/07/135074307.db2.gz YDIKTWLMHKGHRG-BFHYXJOUSA-N 2 0 240.391 2.018 10 0 BEAERP CCCC[C@@H](C[NH3+])Nc1cc[nH+]cc1C ZINC000087780123 135168062 /nfs/dbraw/zinc/16/80/62/135168062.db2.gz LYIIYRVMQOIASI-NSHDSACASA-N 2 0 207.321 2.319 10 0 BEAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538295 135175509 /nfs/dbraw/zinc/17/55/09/135175509.db2.gz XHEVUKUFKDFWSI-QJPTWQEYSA-N 2 0 246.345 2.481 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000090967210 135556283 /nfs/dbraw/zinc/55/62/83/135556283.db2.gz IZRIMIVTZHQMCT-TUAOUCFPSA-N 2 0 212.381 2.493 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000335027588 135868002 /nfs/dbraw/zinc/86/80/02/135868002.db2.gz HCUOSOIMPXENTD-KPPDAEKUSA-N 2 0 232.318 2.281 10 0 BEAERP C[NH+](C)CCC[N@@H+]1CCC2(CCCC2)C1 ZINC000584624878 398079467 /nfs/dbraw/zinc/07/94/67/398079467.db2.gz HZWUHSVGVCEKKN-UHFFFAOYSA-N 2 0 210.365 2.204 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400435476 398058311 /nfs/dbraw/zinc/05/83/11/398058311.db2.gz LAZCPJXNBWJXEE-FDYHWXHSSA-N 2 0 210.365 2.010 10 0 BEAERP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000258760810 322877055 /nfs/dbraw/zinc/87/70/55/322877055.db2.gz AENBOZBGEFMVDJ-SNVBAGLBSA-N 2 0 242.725 2.178 10 0 BEAERP C[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(C)(C)C ZINC000309270011 410690356 /nfs/dbraw/zinc/69/03/56/410690356.db2.gz CYIAPCIJSFJGBQ-XQHKEYJVSA-N 2 0 224.392 2.338 10 0 BEAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394486490 410795188 /nfs/dbraw/zinc/79/51/88/410795188.db2.gz HSMDQQVNBRFMAU-QJPTWQEYSA-N 2 0 246.345 2.481 10 0 BEAERP CC(C)[NH2+]CCCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000041681532 167101851 /nfs/dbraw/zinc/10/18/51/167101851.db2.gz MAGJEAUATZZFNU-CYBMUJFWSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036787471 167367931 /nfs/dbraw/zinc/36/79/31/167367931.db2.gz SPNYVQCHSNVESY-LLVKDONJSA-N 2 0 233.359 2.447 10 0 BEAERP CC(C)[C@@H](C[NH+](C)C)n1c(N)[nH+]c2ccccc21 ZINC000049221072 167394927 /nfs/dbraw/zinc/39/49/27/167394927.db2.gz FVQOUIPYMJYVEA-CYBMUJFWSA-N 2 0 246.358 2.377 10 0 BEAERP CN(Cc1ccsc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911180 411328663 /nfs/dbraw/zinc/32/86/63/411328663.db2.gz TWWRUJOIBOSNLB-GFCCVEGCSA-N 2 0 224.373 2.180 10 0 BEAERP CC1CCC(C[NH2+][C@H]2CCCNC2)CC1 ZINC000063144974 168156324 /nfs/dbraw/zinc/15/63/24/168156324.db2.gz ZXVDLJWNVZEGRN-BPCQOVAHSA-N 2 0 210.365 2.154 10 0 BEAERP CC1CC[NH+](C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000035731264 168182486 /nfs/dbraw/zinc/18/24/86/168182486.db2.gz BDNOLYPBRJSNJG-HNNXBMFYSA-N 2 0 232.371 2.461 10 0 BEAERP CC1CC[NH+](CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000026510926 168182670 /nfs/dbraw/zinc/18/26/70/168182670.db2.gz DGNOIYCJULJQJE-LBPRGKRZSA-N 2 0 212.381 2.482 10 0 BEAERP CC1CC[NH+](C[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000053860886 168183452 /nfs/dbraw/zinc/18/34/52/168183452.db2.gz JTFYLZMGHNQAOL-RDBSUJKOSA-N 2 0 224.392 2.482 10 0 BEAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)[C@@H](C)COC ZINC000051251393 170111259 /nfs/dbraw/zinc/11/12/59/170111259.db2.gz XYQFPLZIPJNVEV-ZDUSSCGKSA-N 2 0 244.423 2.369 10 0 BEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478622 170123741 /nfs/dbraw/zinc/12/37/41/170123741.db2.gz DSVNNSLIOALTQQ-MJBXVCDLSA-N 2 0 242.407 2.120 10 0 BEAERP CC[NH2+]Cc1ccccc1OCC[NH+]1CCCC1 ZINC000032025804 170129198 /nfs/dbraw/zinc/12/91/98/170129198.db2.gz ALFXZCWDZJJHIN-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000050374138 170153004 /nfs/dbraw/zinc/15/30/04/170153004.db2.gz LKLLJEMWIRXDDX-SYQHCUMBSA-N 2 0 240.391 2.016 10 0 BEAERP CC[C@@H]1C[N@H+](CCCC[NH2+]C(C)(C)C)CCO1 ZINC000052476889 171078345 /nfs/dbraw/zinc/07/83/45/171078345.db2.gz LGPRIIHGAVAXTR-CYBMUJFWSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@@H]1C[N@@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])CCO1 ZINC000036769172 171093192 /nfs/dbraw/zinc/09/31/92/171093192.db2.gz ZLXMVSKQOKXIME-MGPQQGTHSA-N 2 0 240.391 2.005 10 0 BEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000036128043 171114572 /nfs/dbraw/zinc/11/45/72/171114572.db2.gz VAHRTNYUNCWIPU-IUODEOHRSA-N 2 0 248.370 2.145 10 0 BEAERP CC[C@@](C)(C[NH3+])C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000051255247 171167161 /nfs/dbraw/zinc/16/71/61/171167161.db2.gz QGTCJSCMBKZRJM-JSGCOSHPSA-N 2 0 242.407 2.108 10 0 BEAERP CC[C@@](C)(C[NH3+])C[NH+]1CCC(C)(C)CC1 ZINC000061822408 171167228 /nfs/dbraw/zinc/16/72/28/171167228.db2.gz PACNCMUKDAJYGB-ZDUSSCGKSA-N 2 0 212.381 2.483 10 0 BEAERP CC[C@@]1(C[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062910886 171211308 /nfs/dbraw/zinc/21/13/08/171211308.db2.gz ZQOYGXBRYNEWQC-MRXNPFEDSA-N 2 0 244.382 2.434 10 0 BEAERP CC[C@H](C)[N@@H+]1CCCN[C@H](CC(C)C)C1 ZINC000062571076 171317960 /nfs/dbraw/zinc/31/79/60/171317960.db2.gz SUZDCVPYYDEPOR-QWHCGFSZSA-N 2 0 212.381 2.495 10 0 BEAERP CC[C@H](C)[NH2+]Cc1csc(CC[NH+](C)C)n1 ZINC000082688177 171344143 /nfs/dbraw/zinc/34/41/43/171344143.db2.gz CQEVESIATOMNNJ-JTQLQIEISA-N 2 0 241.404 2.135 10 0 BEAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000665236393 412175892 /nfs/dbraw/zinc/17/58/92/412175892.db2.gz LVRVKFLJYAHIIU-WOPDTQHZSA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H]1C[C@H](C[NH2+]C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000665239325 412175941 /nfs/dbraw/zinc/17/59/41/412175941.db2.gz QYMFOUPPPNBMEE-ITGUQSILSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]1CC(C[NH2+]C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000665239326 412177099 /nfs/dbraw/zinc/17/70/99/412177099.db2.gz QYMFOUPPPNBMEE-RYUDHWBXSA-N 2 0 224.392 2.400 10 0 BEAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000665245892 412191558 /nfs/dbraw/zinc/19/15/58/412191558.db2.gz UEFORTDRSJBBSU-DZGCQCFKSA-N 2 0 232.371 2.391 10 0 BEAERP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000101136408 173048967 /nfs/dbraw/zinc/04/89/67/173048967.db2.gz BINAJLITODPBLY-STQMWFEESA-N 2 0 204.317 2.028 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000037646159 173118418 /nfs/dbraw/zinc/11/84/18/173118418.db2.gz PPJNBJFARYDRJT-SWLSCSKDSA-N 2 0 230.355 2.215 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000037646658 173146926 /nfs/dbraw/zinc/14/69/26/173146926.db2.gz LNOFJRSUBGOHEP-IUDNXUCKSA-N 2 0 244.382 2.474 10 0 BEAERP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000082328973 173148726 /nfs/dbraw/zinc/14/87/26/173148726.db2.gz NMVIYJIRSMGZDN-YPMHNXCESA-N 2 0 238.762 2.162 10 0 BEAERP CN1CC[C@H]([NH+](C)C)[C@H](c2ccccc2)C1 ZINC000039109996 173149015 /nfs/dbraw/zinc/14/90/15/173149015.db2.gz DUXQDTZEIPNHRZ-KBPBESRZSA-N 2 0 218.344 2.036 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000131296917 173322665 /nfs/dbraw/zinc/32/26/65/173322665.db2.gz VWVDYFBWPFYGNZ-CYBMUJFWSA-N 2 0 232.371 2.474 10 0 BEAERP C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000037255828 173324224 /nfs/dbraw/zinc/32/42/24/173324224.db2.gz WGPKQIOLQSLSIN-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000051210080 173337983 /nfs/dbraw/zinc/33/79/83/173337983.db2.gz RCLDDIRUIVPPNL-CYBMUJFWSA-N 2 0 224.392 2.498 10 0 BEAERP C[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC000051250002 173338084 /nfs/dbraw/zinc/33/80/84/173338084.db2.gz WBXUGYIJJRHJPF-CYBMUJFWSA-N 2 0 224.392 2.498 10 0 BEAERP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(O)cc2)CC1 ZINC000063158763 173338895 /nfs/dbraw/zinc/33/88/95/173338895.db2.gz LCACKICSHJQFPC-LBPRGKRZSA-N 2 0 248.370 2.385 10 0 BEAERP C[NH2+]CCCOCc1ccc2c(c1)nc(C)n2C ZINC000077418425 173349746 /nfs/dbraw/zinc/34/97/46/173349746.db2.gz LKTAMWWFOAJHRL-UHFFFAOYSA-N 2 0 247.342 2.008 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C2CCCCC2)C1 ZINC000053035306 173381683 /nfs/dbraw/zinc/38/16/83/173381683.db2.gz GQMPSKQIBLIPAI-CHWSQXEVSA-N 2 0 224.392 2.497 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)CC2)on1 ZINC000104356439 173386474 /nfs/dbraw/zinc/38/64/74/173386474.db2.gz JVMPHPMPAPAHHD-LLVKDONJSA-N 2 0 237.347 2.016 10 0 BEAERP C[NH2+]Cc1ccccc1C[N@H+](CCOC)C1CC1 ZINC000052542539 173390310 /nfs/dbraw/zinc/39/03/10/173390310.db2.gz HHPJHKNKDXDASF-UHFFFAOYSA-N 2 0 248.370 2.017 10 0 BEAERP C[NH2+][C@H](C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000037705522 173449339 /nfs/dbraw/zinc/44/93/39/173449339.db2.gz PWSVBFLATVFWBJ-CYBMUJFWSA-N 2 0 248.370 2.442 10 0 BEAERP COCCCC[N@@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053033710 174192838 /nfs/dbraw/zinc/19/28/38/174192838.db2.gz ORCXEQHFGNBUPY-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP COCCCC[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053033712 174194352 /nfs/dbraw/zinc/19/43/52/174194352.db2.gz ORCXEQHFGNBUPY-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+](C1CC1)C1(C[NH3+])CCC(C)CC1 ZINC000042517882 174284476 /nfs/dbraw/zinc/28/44/76/174284476.db2.gz XNYFVPJFWKRBJK-UHFFFAOYSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[N@H+](C1CC1)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042517875 174285314 /nfs/dbraw/zinc/28/53/14/174285314.db2.gz VSRJVFGSANNGDK-GXTWGEPZSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[N@H+](CCCCCC[NH3+])[C@@H](C)C1CC1 ZINC000042689383 174290605 /nfs/dbraw/zinc/29/06/05/174290605.db2.gz GLEFVKPDGYQGKB-ZDUSSCGKSA-N 2 0 242.407 2.252 10 0 BEAERP COCC[NH2+]CCCC[NH+]1Cc2ccccc2C1 ZINC000053499350 174331930 /nfs/dbraw/zinc/33/19/30/174331930.db2.gz JBTLBIZUBRTASG-UHFFFAOYSA-N 2 0 248.370 2.018 10 0 BEAERP COc1ccc([C@@H](CC[NH3+])C[NH+]2CCCC2)cc1 ZINC000076634807 175178603 /nfs/dbraw/zinc/17/86/03/175178603.db2.gz GXNSDFBRBVUHPA-AWEZNQCLSA-N 2 0 248.370 2.223 10 0 BEAERP COc1cccc([C@@H](C[NH3+])N(C)C(C)C)c1 ZINC000022221295 175287486 /nfs/dbraw/zinc/28/74/86/175287486.db2.gz OVTVBGJAWAOEBW-CYBMUJFWSA-N 2 0 222.332 2.035 10 0 BEAERP COc1cccc([C@H](CCC[NH3+])[NH+](C)C)c1 ZINC000019673909 175293964 /nfs/dbraw/zinc/29/39/64/175293964.db2.gz OHFBJELTFSIANY-ZDUSSCGKSA-N 2 0 222.332 2.037 10 0 BEAERP CSc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713436 175578198 /nfs/dbraw/zinc/57/81/98/175578198.db2.gz VNHJZXURNGGIFM-JTQLQIEISA-N 2 0 224.373 2.408 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000100256559 175917776 /nfs/dbraw/zinc/91/77/76/175917776.db2.gz ATRGEZAPTSAXQR-MXWKQRLJSA-N 2 0 208.305 2.200 10 0 BEAERP C[C@@H](c1ccccc1)[NH+]1CCC[NH2+]CCC1 ZINC000049664315 176021762 /nfs/dbraw/zinc/02/17/62/176021762.db2.gz RAPWJOLKNOLLKW-ZDUSSCGKSA-N 2 0 218.344 2.433 10 0 BEAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000062609101 176022279 /nfs/dbraw/zinc/02/22/79/176022279.db2.gz GLJUBZMTNAQDNG-OLZOCXBDSA-N 2 0 218.344 2.431 10 0 BEAERP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546783 176086456 /nfs/dbraw/zinc/08/64/56/176086456.db2.gz PAPRFCMAHHTBNA-ZWNOBZJWSA-N 2 0 237.347 2.144 10 0 BEAERP C[C@@H]1CC[N@H+](CC2CCCC2)CCC[NH2+]1 ZINC000049666001 176168888 /nfs/dbraw/zinc/16/88/88/176168888.db2.gz QVCYXJWECYHROR-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1CC[NH+](CCc2ccco2)CC[C@@H](C)[NH2+]1 ZINC000049667379 176171412 /nfs/dbraw/zinc/17/14/12/176171412.db2.gz MWECQUJMWFOPOW-CHWSQXEVSA-N 2 0 236.359 2.285 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C ZINC000042427493 176202151 /nfs/dbraw/zinc/20/21/51/176202151.db2.gz UQKOUERYGKPTGQ-NEPJUHHUSA-N 2 0 212.381 2.482 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000042427362 176202919 /nfs/dbraw/zinc/20/29/19/176202919.db2.gz TYQOEBOKARBTQU-OCCSQVGLSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@@H+](C2CCCCC2)C1 ZINC000049665030 176324605 /nfs/dbraw/zinc/32/46/05/176324605.db2.gz MBOQMLQPOQGJCS-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C2CCCCC2)C1 ZINC000049665035 176328774 /nfs/dbraw/zinc/32/87/74/176328774.db2.gz KOGHYQOULZTQSE-CHWSQXEVSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](C2CCC([NH3+])CC2)C1 ZINC000055144198 176360687 /nfs/dbraw/zinc/36/06/87/176360687.db2.gz DNAXEEVMEQWMET-OKZRHMCRSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]1C[C@@H]([N@H+](C)CCOC(C)(C)C)CCN1C ZINC000123661274 176371159 /nfs/dbraw/zinc/37/11/59/176371159.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 2 0 242.407 2.216 10 0 BEAERP C[C@H](c1cccs1)N1CCC[C@H]([NH3+])C1 ZINC000041027783 177048611 /nfs/dbraw/zinc/04/86/11/177048611.db2.gz GDFXQLRAYRSHNS-ZJUUUORDSA-N 2 0 210.346 2.232 10 0 BEAERP C[C@H](c1cccs1)N(C)C(C)(C)C[NH3+] ZINC000049726293 177049113 /nfs/dbraw/zinc/04/91/13/177049113.db2.gz IJYBUTIKJXWVDA-SECBINFHSA-N 2 0 212.362 2.478 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000037911067 177110289 /nfs/dbraw/zinc/11/02/89/177110289.db2.gz JSMRXWKKEWHQAV-VIFPVBQESA-N 2 0 235.306 2.094 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000037910076 177110999 /nfs/dbraw/zinc/11/09/99/177110999.db2.gz VSSWZXRNMNPJGC-JTQLQIEISA-N 2 0 222.307 2.269 10 0 BEAERP C[C@H]1CC[NH+](CC2CCC2)CC[C@H](C)[NH2+]1 ZINC000049665865 177158065 /nfs/dbraw/zinc/15/80/65/177158065.db2.gz MGQQGJCJNJAYPL-RYUDHWBXSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@H]1CC[NH+](CCc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049667378 177161665 /nfs/dbraw/zinc/16/16/65/177161665.db2.gz MWECQUJMWFOPOW-STQMWFEESA-N 2 0 236.359 2.285 10 0 BEAERP C[C@@H]1CC[N@@H+](CCc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666811 177162364 /nfs/dbraw/zinc/16/23/64/177162364.db2.gz BPEJRLWFICLCFM-OKILXGFUSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C ZINC000042427494 177189535 /nfs/dbraw/zinc/18/95/35/177189535.db2.gz UQKOUERYGKPTGQ-RYUDHWBXSA-N 2 0 212.381 2.482 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CC1CCCC1 ZINC000042427488 177201181 /nfs/dbraw/zinc/20/11/81/177201181.db2.gz PPPDKNRTKUJMCH-WCQYABFASA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCC[NH2+]C(C)(C)C ZINC000052476236 177247879 /nfs/dbraw/zinc/24/78/79/177247879.db2.gz YJUJCCXTFNVEIQ-OLZOCXBDSA-N 2 0 242.407 2.264 10 0 BEAERP C[C@H]1C[N@@H+]([C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000051987312 177274696 /nfs/dbraw/zinc/27/46/96/177274696.db2.gz CGPKWJIFCNYTEK-FPMFFAJLSA-N 2 0 246.354 2.179 10 0 BEAERP C[C@@H]1C[N@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000037157216 177275578 /nfs/dbraw/zinc/27/55/78/177275578.db2.gz UPXAXZZNSBLZRV-XJFOESAGSA-N 2 0 240.391 2.003 10 0 BEAERP C[C@H]1COCC[N@@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052476030 177290564 /nfs/dbraw/zinc/29/05/64/177290564.db2.gz OZFNRKKNVSVKPX-ZDUSSCGKSA-N 2 0 242.407 2.266 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482396 177313211 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ZINC000257757088 488087196 /nfs/dbraw/zinc/08/71/96/488087196.db2.gz QSAYAKCFXHMLRK-MRVPVSSYSA-N 2 0 219.263 2.133 10 0 BEAERP [NH3+]C1(C[NH2+]C[C@H]2CCCCC2(F)F)CCC1 ZINC000390931028 488184607 /nfs/dbraw/zinc/18/46/07/488184607.db2.gz DKGNBABFWLNWSL-SNVBAGLBSA-N 2 0 232.318 2.283 10 0 BEAERP COCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129521 582503933 /nfs/dbraw/zinc/50/39/33/582503933.db2.gz LVPKSLOZKOSVLV-HZSPNIEDSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CC[NH2+]C1 ZINC000400468366 533790925 /nfs/dbraw/zinc/79/09/25/533790925.db2.gz UMKDXEXRUPYDLY-CMNKBNPHSA-N 2 0 248.414 2.399 10 0 BEAERP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400473316 533918992 /nfs/dbraw/zinc/91/89/92/533918992.db2.gz YVKBGCLNWFLNOH-IUCAKERBSA-N 2 0 244.791 2.489 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400430080 534011542 /nfs/dbraw/zinc/01/15/42/534011542.db2.gz BNFUACBHJSCIBS-RVMXOQNASA-N 2 0 210.365 2.153 10 0 BEAERP CC(C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654308 517418719 /nfs/dbraw/zinc/41/87/19/517418719.db2.gz GKTCJDLUNONRIG-KGLIPLIRSA-N 2 0 224.392 2.449 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000219777163 520021793 /nfs/dbraw/zinc/02/17/93/520021793.db2.gz ZVUSKHBWKOLQFT-QWHCGFSZSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[NH2+][C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000219777237 520094186 /nfs/dbraw/zinc/09/41/86/520094186.db2.gz ZVUSKHBWKOLQFT-STQMWFEESA-N 2 0 212.381 2.495 10 0 BEAERP C[C@@H]1C[N@@H+]([C@H]2CCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000309052181 534478304 /nfs/dbraw/zinc/47/83/04/534478304.db2.gz QJKXAUYGRPZINF-NTZNESFSSA-N 2 0 210.365 2.092 10 0 BEAERP CCCC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400457924 528062307 /nfs/dbraw/zinc/06/23/07/528062307.db2.gz QNLOPWCEMBCMRA-VXGBXAGGSA-N 2 0 210.365 2.154 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@@H]2C ZINC000685952968 566487145 /nfs/dbraw/zinc/48/71/45/566487145.db2.gz DLXASSDQAPWPNV-RWMBFGLXSA-N 2 0 210.365 2.378 10 0 BEAERP CC[C@H]1CCC[N@@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951933 566486849 /nfs/dbraw/zinc/48/68/49/566486849.db2.gz ZJBBRRYOAUXZNT-QNWHQSFQSA-N 2 0 210.365 2.105 10 0 BEAERP CC[C@@H]1CCC[N@@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951932 566486918 /nfs/dbraw/zinc/48/69/18/566486918.db2.gz ZJBBRRYOAUXZNT-IJLUTSLNSA-N 2 0 210.365 2.105 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757131250 582505706 /nfs/dbraw/zinc/50/57/06/582505706.db2.gz PXKVBVDERKLGGI-SGMGOOAPSA-N 2 0 222.376 2.249 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757132340 582506813 /nfs/dbraw/zinc/50/68/13/582506813.db2.gz QYZFLWZPVYOHKN-IUODEOHRSA-N 2 0 234.387 2.345 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757132389 582506980 /nfs/dbraw/zinc/50/69/80/582506980.db2.gz QYZFLWZPVYOHKN-WFASDCNBSA-N 2 0 234.387 2.345 10 0 BEAERP C[C@@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CCC1CC1 ZINC000757133764 582510475 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C[C@H]1[NH2+]CCC[C@H]1c1ccc(C[NH3+])cc1 ZINC000757212821 586439555 /nfs/dbraw/zinc/43/95/55/586439555.db2.gz JVTVIIIEEMFCBF-ZWNOBZJWSA-N 2 0 204.317 2.001 10 0 BEAERP CC(=O)c1cccc([C@H]2CC[C@H](CC[NH3+])C[NH2+]2)c1 ZINC000757217351 586441746 /nfs/dbraw/zinc/44/17/46/586441746.db2.gz RRNBYVOAYBYLNE-IUODEOHRSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccccc2)[NH2+]1 ZINC000757217427 586441852 /nfs/dbraw/zinc/44/18/52/586441852.db2.gz RTWUVJCFIAWECV-WXHSDQCUSA-N 2 0 204.317 2.075 10 0 BEAERP CC1(c2ccc([C@H]3C[NH2+]C[C@@H]([NH3+])C3)cc2)CC1 ZINC000757219344 586442186 /nfs/dbraw/zinc/44/21/86/586442186.db2.gz WXHSQQWXRJKALL-OCCSQVGLSA-N 2 0 230.355 2.142 10 0 BEAERP CC(=O)c1cccc([C@@H]2[NH2+][C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC000757218884 586442297 /nfs/dbraw/zinc/44/22/97/586442297.db2.gz XJCZXMUCVHJDQI-VQISRLSMSA-N 2 0 246.354 2.277 10 0 BEAERP C[C@@H]1C[C@H]([C@H]2[NH2+]C[C@@H](C)C[C@H]2C)CC[NH2+]1 ZINC000757228640 586442739 /nfs/dbraw/zinc/44/27/39/586442739.db2.gz DLPBAYWPPBNAMF-CLPYTZEMSA-N 2 0 210.365 2.009 10 0 BEAERP C[C@@H]1C[C@@H](c2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC000757227430 586442746 /nfs/dbraw/zinc/44/27/46/586442746.db2.gz BUBKMDVUOSWQQW-YPMHNXCESA-N 2 0 230.355 2.188 10 0 BEAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757237020 586443592 /nfs/dbraw/zinc/44/35/92/586443592.db2.gz PCLCTBSNIHTMNJ-YUMQZZPRSA-N 2 0 246.326 2.338 10 0 BEAERP C[C@@H]1C[C@@H](c2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC000757237315 586443934 /nfs/dbraw/zinc/44/39/34/586443934.db2.gz PXJPQWABQCYCPV-NEPJUHHUSA-N 2 0 230.355 2.188 10 0 BEAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128250605 590951043 /nfs/dbraw/zinc/95/10/43/590951043.db2.gz ZOYKUHONFDUCMS-CHWSQXEVSA-N 2 0 242.432 2.204 10 0 BEAERP CCC(CC)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000129184820 631464765 /nfs/dbraw/zinc/46/47/65/631464765.db2.gz ROVTWRBUJWSQQL-DGCLKSJQSA-N 2 0 212.381 2.339 10 0 BEAERP CC(C)C[N@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000042559257 631732009 /nfs/dbraw/zinc/73/20/09/631732009.db2.gz GAUAJLAHHZOZKT-UHFFFAOYSA-N 2 0 210.365 2.249 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000235165295 632392471 /nfs/dbraw/zinc/39/24/71/632392471.db2.gz GTFNTXIECMWJBE-GRYCIOLGSA-N 2 0 228.405 2.002 10 0 BEAERP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122309177 633206600 /nfs/dbraw/zinc/20/66/00/633206600.db2.gz RYAXDYAIASELGX-DZGCQCFKSA-N 2 0 232.371 2.146 10 0 BEAERP C[C@H]([NH2+]CCN1CCCC[C@@H]1C)C1CC1 ZINC000053343466 634169736 /nfs/dbraw/zinc/16/97/36/634169736.db2.gz IBVQSDZFXLSRHA-RYUDHWBXSA-N 2 0 210.365 2.249 10 0 BEAERP C[NH+]1CCC(C[NH2+]CCc2ccsc2)CC1 ZINC000054243572 636242673 /nfs/dbraw/zinc/24/26/73/636242673.db2.gz QWYSRNFORSOTOO-UHFFFAOYSA-N 2 0 238.400 2.222 10 0 BEAERP Cc1cc(C[NH2+]CCC[NH3+])ccc1Cl ZINC000163298625 636399975 /nfs/dbraw/zinc/39/99/75/636399975.db2.gz YKPORFURGZZHPY-UHFFFAOYSA-N 2 0 212.724 2.087 10 0 BEAERP C[C@]1(C[NH+]2CCCCCCC2)CC[NH2+]C1 ZINC000062911015 641107716 /nfs/dbraw/zinc/10/77/16/641107716.db2.gz UMCNBNNTVIFUKT-ZDUSSCGKSA-N 2 0 210.365 2.252 10 0 BEAERP C[C@@H]1CC(c2ccc(C[NH3+])cc2)C[C@@H](C)[NH2+]1 ZINC000757211534 643370075 /nfs/dbraw/zinc/37/00/75/643370075.db2.gz HRLZYEROWKQEBF-GHMZBOCLSA-N 2 0 218.344 2.389 10 0 BEAERP CCC/C=C\C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096742773 644833940 /nfs/dbraw/zinc/83/39/40/644833940.db2.gz CGYAQKXXUQVUIO-PLNGDYQASA-N 2 0 222.376 2.418 10 0 BEAERP CC1(C)C[C@@]1(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000701981770 712034652 /nfs/dbraw/zinc/03/46/52/712034652.db2.gz CYLXLSVZQTZSOS-XIVSLSHWSA-N 2 0 210.365 2.282 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H]2C)CC1 ZINC000714754354 712497715 /nfs/dbraw/zinc/49/77/15/712497715.db2.gz SBQSRSLCYURQSQ-NWDGAFQWSA-N 2 0 210.365 2.378 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485302 712650870 /nfs/dbraw/zinc/65/08/70/712650870.db2.gz BXPNRSGGPVBGPE-STQMWFEESA-N 2 0 224.392 2.497 10 0 BEAERP C[N@H+](CCCC(C)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000718570159 712774916 /nfs/dbraw/zinc/77/49/16/712774916.db2.gz IUZUKDAEDCCHIE-LLVKDONJSA-N 2 0 234.334 2.496 10 0 BEAERP Cc1cnc(C[NH2+]C2CCC([NH3+])CC2)c(C)c1 ZINC000724032204 710737175 /nfs/dbraw/zinc/73/71/75/710737175.db2.gz CECXDYQHCBMTBE-UHFFFAOYSA-N 2 0 233.359 2.058 10 0 BEAERP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000133092740 710967712 /nfs/dbraw/zinc/96/77/12/710967712.db2.gz FCPMWKGCNOGEJL-TZMCWYRMSA-N 2 0 224.392 2.483 10 0 BEAERP CC[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000723079600 711499521 /nfs/dbraw/zinc/49/95/21/711499521.db2.gz NQGJVXGMOAWURN-AGIUHOORSA-N 2 0 210.365 2.106 10 0 BEAERP CSC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000711035252 712275551 /nfs/dbraw/zinc/27/55/51/712275551.db2.gz WRVQDIQBLGAIBK-GHMZBOCLSA-N 2 0 230.421 2.106 10 0 BEAERP COCC1CC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000713977274 712475554 /nfs/dbraw/zinc/47/55/54/712475554.db2.gz DQFZVAIOJKQHCB-FBDPFYNOSA-N 2 0 246.354 2.146 10 0 BEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000716546357 712567619 /nfs/dbraw/zinc/56/76/19/712567619.db2.gz PLWPQLAAMJIMDX-PEBLQZBPSA-N 2 0 222.376 2.010 10 0 BEAERP COCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000718769899 712782007 /nfs/dbraw/zinc/78/20/07/712782007.db2.gz RFCIVGOHZJXSBX-QWHCGFSZSA-N 2 0 242.407 2.027 10 0 BEAERP C(CC[NH+]1CCOCC1)C[NH2+]C1CCCCC1 ZINC000125940019 1165770094 /nfs/dbraw/zinc/77/00/94/1165770094.db2.gz SMNMQFNKDJZKKX-UHFFFAOYSA-N 2 0 240.391 2.021 10 0 BEAERP c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000049568930 1171705515 /nfs/dbraw/zinc/70/55/15/1171705515.db2.gz OEWYGVRZCRTKIU-CHWSQXEVSA-N 2 0 217.316 2.120 10 0 BEAERP C[C@H]1C[C@]2(CC(C)(C)C1)[C@H]([NH3+])CC[N@@H+]2C ZINC000685953896 538898806 /nfs/dbraw/zinc/89/88/06/538898806.db2.gz JGJGYTQWQJVRNP-WZRBSPASSA-N 2 0 210.365 2.234 10 0 BEAERP CCC(CC)(C[NH2+]C1CC[NH2+]CC1)SC ZINC000232860997 168326124 /nfs/dbraw/zinc/32/61/24/168326124.db2.gz CCWUWULYVBOAFU-UHFFFAOYSA-N 2 0 230.421 2.250 10 0 BEAERP CCC[N@H+](C)Cc1cc(F)cc(C[NH3+])c1 ZINC000162823938 538925363 /nfs/dbraw/zinc/92/53/63/538925363.db2.gz AZUUPGPZAHWKHT-UHFFFAOYSA-N 2 0 210.296 2.126 10 0 BEAERP Cc1cc([C@@H]2[C@@H](C[NH3+])CCC[N@H+]2C)ccc1F ZINC000070277773 178242534 /nfs/dbraw/zinc/24/25/34/178242534.db2.gz WLMNERYBWILJIC-TZMCWYRMSA-N 2 0 236.334 2.476 10 0 BEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000576742965 365672562 /nfs/dbraw/zinc/67/25/62/365672562.db2.gz MZGURPUZXBAUFC-TZMCWYRMSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000576742960 365673593 /nfs/dbraw/zinc/67/35/93/365673593.db2.gz MZGURPUZXBAUFC-GXTWGEPZSA-N 2 0 222.376 2.465 10 0 BEAERP CCC(CC)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049664941 168375943 /nfs/dbraw/zinc/37/59/43/168375943.db2.gz SZCNOSCRGHIBAZ-VXGBXAGGSA-N 2 0 212.381 2.352 10 0 BEAERP CC[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1 ZINC000037713249 342943338 /nfs/dbraw/zinc/94/33/38/342943338.db2.gz FLGBGQAROOBLDV-LBPRGKRZSA-N 2 0 210.296 2.215 10 0 BEAERP CC[C@@H]1CC[C@H](CC[NH+]2CCCC2)[NH2+]C1 ZINC000238262131 343252588 /nfs/dbraw/zinc/25/25/88/343252588.db2.gz ZNHJTBIWSIYVQQ-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C[C@@H]1C ZINC000073656077 187261337 /nfs/dbraw/zinc/26/13/37/187261337.db2.gz SMBBDDCAEVIFFW-WCQYABFASA-N 2 0 210.365 2.391 10 0 BEAERP CCC1(C)CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000062958141 168445930 /nfs/dbraw/zinc/44/59/30/168445930.db2.gz SYAPHYUQKBRAFW-OLZOCXBDSA-N 2 0 240.391 2.005 10 0 BEAERP Cc1ccc(C[NH2+]C2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000096088746 178602586 /nfs/dbraw/zinc/60/25/86/178602586.db2.gz QSCRDEUPPIVROT-ZIAGYGMSSA-N 2 0 230.355 2.083 10 0 BEAERP C[NH2+][C@@H](C)CC[N@H+](C)Cc1ccccc1 ZINC000043816450 344236731 /nfs/dbraw/zinc/23/67/31/344236731.db2.gz KNVLQNQYALCQEX-LBPRGKRZSA-N 2 0 206.333 2.116 10 0 BEAERP C(C[NH+]1CCCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000042171938 187291113 /nfs/dbraw/zinc/29/11/13/187291113.db2.gz SOYSNYHNINFQNC-ZDUSSCGKSA-N 2 0 210.365 2.395 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000403384935 344654788 /nfs/dbraw/zinc/65/47/88/344654788.db2.gz GEIJVEPNXVVXJU-ZSLBOAEBSA-N 2 0 222.376 2.010 10 0 BEAERP Cc1cc(N(C)C[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000104315372 187292315 /nfs/dbraw/zinc/29/23/15/187292315.db2.gz MTNJJRIEJYOSTN-JTQLQIEISA-N 2 0 229.327 2.327 10 0 BEAERP C1CCCC([NH+]2CCC[NH2+]CCC2)CC1 ZINC000049665852 187294151 /nfs/dbraw/zinc/29/41/51/187294151.db2.gz QSTKKQAFBQBVQR-UHFFFAOYSA-N 2 0 210.365 2.395 10 0 BEAERP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000634998153 345197371 /nfs/dbraw/zinc/19/73/71/345197371.db2.gz BMDVDFQNAVSIOM-OCCSQVGLSA-N 2 0 248.370 2.030 10 0 BEAERP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998168 345197407 /nfs/dbraw/zinc/19/74/07/345197407.db2.gz BTJGHYYNNDMFQW-MNOVXSKESA-N 2 0 238.400 2.337 10 0 BEAERP C[C@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000634998957 345199010 /nfs/dbraw/zinc/19/90/10/345199010.db2.gz NMMOAAJGRCWMJB-UONOGXRCSA-N 2 0 246.398 2.491 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000634998033 345202703 /nfs/dbraw/zinc/20/27/03/345202703.db2.gz ZHZYUFMZEFIQQX-RWMBFGLXSA-N 2 0 222.376 2.297 10 0 BEAERP Cc1cccc(CC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000054628453 187318369 /nfs/dbraw/zinc/31/83/69/187318369.db2.gz BETOKMYQIYGBHZ-MQVJKMGUSA-N 2 0 244.382 2.492 10 0 BEAERP CC(C)[NH+](C[C@@H]1CCCC[NH2+]C1)C(C)C ZINC000669378406 537966926 /nfs/dbraw/zinc/96/69/26/537966926.db2.gz DDCXPVUVWXCUJW-CYBMUJFWSA-N 2 0 212.381 2.495 10 0 BEAERP C[N@H+](Cc1cc(Cl)cc(C[NH3+])c1)C1CC1 ZINC000669380191 537984909 /nfs/dbraw/zinc/98/49/09/537984909.db2.gz UXGPOCSSGJEHJC-UHFFFAOYSA-N 2 0 224.735 2.393 10 0 BEAERP [NH3+]CCC1CCC(C[NH+]2CCCC2)CC1 ZINC000206232921 346738806 /nfs/dbraw/zinc/73/88/06/346738806.db2.gz MAFJBVICDDRHEM-UHFFFAOYSA-N 2 0 210.365 2.237 10 0 BEAERP Cc1cccc([C@H](C)[NH3+])c1OCCC[NH+](C)C ZINC000041271951 179193611 /nfs/dbraw/zinc/19/36/11/179193611.db2.gz TUZCVSWXSVAHTE-LBPRGKRZSA-N 2 0 236.359 2.345 10 0 BEAERP C[C@@H]1C[N@@H+](C(C2CC2)C2CC2)C[C@@]1(C)C[NH3+] ZINC000380729190 347267683 /nfs/dbraw/zinc/26/76/83/347267683.db2.gz PYRNKNDFFAKANV-QMTHXVAHSA-N 2 0 222.376 2.092 10 0 BEAERP Cc1ccccc1CCC[NH2+]CCC[NH+](C)C ZINC000076284391 179262367 /nfs/dbraw/zinc/26/23/67/179262367.db2.gz FVEUGNBTXZBOPM-UHFFFAOYSA-N 2 0 234.387 2.469 10 0 BEAERP Cc1ccccc1C1CC([NH2+]CCC[NH3+])C1 ZINC000037713654 179256426 /nfs/dbraw/zinc/25/64/26/179256426.db2.gz UGVZKPCWZLUVJO-UHFFFAOYSA-N 2 0 218.344 2.179 10 0 BEAERP Cc1ccccc1C[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C ZINC000104213303 179268982 /nfs/dbraw/zinc/26/89/82/179268982.db2.gz SSVDUVPVOMMYDF-ZFWWWQNUSA-N 2 0 232.371 2.282 10 0 BEAERP Cc1ccccc1C[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049666757 179274440 /nfs/dbraw/zinc/27/44/40/179274440.db2.gz RWKCPYUNAWJFMF-ZDUSSCGKSA-N 2 0 232.371 2.426 10 0 BEAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000022100905 179318222 /nfs/dbraw/zinc/31/82/22/179318222.db2.gz WJUIMHAJTSIFDX-CYBMUJFWSA-N 2 0 218.344 2.351 10 0 BEAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000049526093 179335241 /nfs/dbraw/zinc/33/52/41/179335241.db2.gz AOFCKLMJEGXDGQ-QWHCGFSZSA-N 2 0 218.344 2.337 10 0 BEAERP C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000062179949 350223975 /nfs/dbraw/zinc/22/39/75/350223975.db2.gz FTIJVWUYXLEMTG-UKRRQHHQSA-N 2 0 232.371 2.288 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000252156717 538084073 /nfs/dbraw/zinc/08/40/73/538084073.db2.gz NKGDPTOUTPIVSK-UPJWGTAASA-N 2 0 210.365 2.378 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@H](C[NH3+])C1 ZINC000252156713 538083909 /nfs/dbraw/zinc/08/39/09/538083909.db2.gz NKGDPTOUTPIVSK-AGIUHOORSA-N 2 0 210.365 2.378 10 0 BEAERP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCC[NH2+]2)C1 ZINC000039101443 350332606 /nfs/dbraw/zinc/33/26/06/350332606.db2.gz SJSOQIPWFQABOH-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@]1(C[NH+]2CCC(C)(C)CC2)CC[NH2+]C1 ZINC000062912479 350562755 /nfs/dbraw/zinc/56/27/55/350562755.db2.gz QCZVPDVYKXEELL-CYBMUJFWSA-N 2 0 210.365 2.108 10 0 BEAERP CNc1ccc([C@H]2CCCCN2CC[NH3+])cc1 ZINC000616614756 350837921 /nfs/dbraw/zinc/83/79/21/350837921.db2.gz KVUPUQQFSRREMD-CQSZACIVSA-N 2 0 233.359 2.214 10 0 BEAERP CC(C)(C)[NH+]1CCC(c2ccnc(N)c2)CC1 ZINC000616619335 350926459 /nfs/dbraw/zinc/92/64/59/350926459.db2.gz HWCYCHAVFYZKFH-UHFFFAOYSA-N 2 0 233.359 2.472 10 0 BEAERP [NH3+]CC=C1CC[NH+](Cc2ccccc2)CC1 ZINC000069049692 351346974 /nfs/dbraw/zinc/34/69/74/351346974.db2.gz GWNREMJLIDWZKG-UHFFFAOYSA-N 2 0 216.328 2.168 10 0 BEAERP CC1CC[NH+](C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725270467 538102316 /nfs/dbraw/zinc/10/23/16/538102316.db2.gz OBGSEPUAMXXGCT-ROKHWSDSSA-N 2 0 222.376 2.378 10 0 BEAERP CC1CC[NH+](C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725270466 538102320 /nfs/dbraw/zinc/10/23/20/538102320.db2.gz OBGSEPUAMXXGCT-MOKVOYLWSA-N 2 0 222.376 2.378 10 0 BEAERP CC[C@H](C)C[NH2+][C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272149 538103839 /nfs/dbraw/zinc/10/38/39/538103839.db2.gz MZGLISZHZVHNPD-XQQFMLRXSA-N 2 0 210.365 2.297 10 0 BEAERP C[C@H]1C[NH2+]CC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000307384498 352511429 /nfs/dbraw/zinc/51/14/29/352511429.db2.gz ITVSTUGUEOABOT-JSGCOSHPSA-N 2 0 218.344 2.116 10 0 BEAERP CC(=[NH2+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000307471196 352612690 /nfs/dbraw/zinc/61/26/90/352612690.db2.gz WPTHTAYJVJHYOO-BXUZGUMPSA-N 2 0 231.343 2.094 10 0 BEAERP CC(=[NH2+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000307471200 352612766 /nfs/dbraw/zinc/61/27/66/352612766.db2.gz WPTHTAYJVJHYOO-SMDDNHRTSA-N 2 0 231.343 2.094 10 0 BEAERP CCCCC[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049663768 168702286 /nfs/dbraw/zinc/70/22/86/168702286.db2.gz LUGRNERPXPWZTQ-STQMWFEESA-N 2 0 212.381 2.354 10 0 BEAERP C(C[NH2+]C1CC[NH2+]CC1)COC1CCCCC1 ZINC000038040763 358482511 /nfs/dbraw/zinc/48/25/11/358482511.db2.gz BEQCTSQNVGPIJR-UHFFFAOYSA-N 2 0 240.391 2.067 10 0 BEAERP CC(C)C[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000039141103 358486265 /nfs/dbraw/zinc/48/62/65/358486265.db2.gz OAFPENVDHGXWAW-AWEZNQCLSA-N 2 0 220.360 2.492 10 0 BEAERP [NH3+]C1([C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000215116872 363439230 /nfs/dbraw/zinc/43/92/30/363439230.db2.gz VIPFPSNLUKVPIB-AWEZNQCLSA-N 2 0 230.355 2.390 10 0 BEAERP [NH2+]=C1c2ccccc2CN1[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568790 181207684 /nfs/dbraw/zinc/20/76/84/181207684.db2.gz LBVVYPBMGIKTEE-KGLIPLIRSA-N 2 0 241.338 2.064 10 0 BEAERP CCOc1ccccc1C[NH2+][C@H]1CCN(CC)C1 ZINC000389194671 355835471 /nfs/dbraw/zinc/83/54/71/355835471.db2.gz WRWGZKXXSMNWKH-AWEZNQCLSA-N 2 0 248.370 2.269 10 0 BEAERP CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050972 538473306 /nfs/dbraw/zinc/47/33/06/538473306.db2.gz DTYKPKJKKKERNM-OLZOCXBDSA-N 2 0 210.365 2.012 10 0 BEAERP C[C@@H]1CCC[N@@H+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675069463 538498279 /nfs/dbraw/zinc/49/82/79/538498279.db2.gz HLEHDHRPAJPWHG-GFCCVEGCSA-N 2 0 222.376 2.251 10 0 BEAERP CCC[N@H+](C(C)C)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950984 538894408 /nfs/dbraw/zinc/89/44/08/538894408.db2.gz KPHRFJLPWKCAEX-RYUDHWBXSA-N 2 0 212.381 2.351 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCCC[C@@H]1C ZINC000685951050 538894488 /nfs/dbraw/zinc/89/44/88/538894488.db2.gz MIQVNLQGAQUFAL-UTUOFQBUSA-N 2 0 210.365 2.105 10 0 BEAERP CCC[NH+](CCC)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951746 538895177 /nfs/dbraw/zinc/89/51/77/538895177.db2.gz XDLYRNYKXPXRDD-VXGBXAGGSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951777 538895182 /nfs/dbraw/zinc/89/51/82/538895182.db2.gz YBEXMWBJOJKQSU-DGTMBMJNSA-N 2 0 224.392 2.351 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CCCCCC1 ZINC000685951735 538895299 /nfs/dbraw/zinc/89/52/99/538895299.db2.gz WNPYJZRQRMVBCI-VXGBXAGGSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000584833977 358196885 /nfs/dbraw/zinc/19/68/85/358196885.db2.gz BCYZPULDEVOPCB-DGCLKSJQSA-N 2 0 238.400 2.268 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534183 358389619 /nfs/dbraw/zinc/38/96/19/358389619.db2.gz CMIZHRJPQDOQCX-QWHCGFSZSA-N 2 0 212.381 2.354 10 0 BEAERP [NH3+]CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000135275552 358828896 /nfs/dbraw/zinc/82/88/96/358828896.db2.gz ROQJOXWHGQZCCU-LLVKDONJSA-N 2 0 240.347 2.301 10 0 BEAERP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000309044803 491143302 /nfs/dbraw/zinc/14/33/02/491143302.db2.gz NTFHGRDLZUIELD-GMXVVIOVSA-N 2 0 210.365 2.105 10 0 BEAERP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000306571230 360457777 /nfs/dbraw/zinc/45/77/77/360457777.db2.gz GVHHBRRVHYGCAV-WFASDCNBSA-N 2 0 245.370 2.484 10 0 BEAERP CC(C)[NH+]1CCC(C[NH2+]C2CCC2)CC1 ZINC000238188332 360686492 /nfs/dbraw/zinc/68/64/92/360686492.db2.gz JLWYKJNVQKMPRO-UHFFFAOYSA-N 2 0 210.365 2.249 10 0 BEAERP [NH3+]C1(Cc2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000090557987 181333126 /nfs/dbraw/zinc/33/31/26/181333126.db2.gz APSAUZALWMUOOT-UHFFFAOYSA-N 2 0 242.725 2.103 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000629553968 361439617 /nfs/dbraw/zinc/43/96/17/361439617.db2.gz FTYHLOCJVBFZHN-PNESKVBLSA-N 2 0 222.376 2.426 10 0 BEAERP [NH3+]C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000336235691 181341868 /nfs/dbraw/zinc/34/18/68/181341868.db2.gz LJGULOWVZAMHLC-UHFFFAOYSA-N 2 0 208.349 2.346 10 0 BEAERP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1C ZINC000074081387 541313049 /nfs/dbraw/zinc/31/30/49/541313049.db2.gz YYSUSENLHFYVJK-KGLIPLIRSA-N 2 0 218.344 2.397 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630357197 364079888 /nfs/dbraw/zinc/07/98/88/364079888.db2.gz COTQNSZZEDMAQW-GXTWGEPZSA-N 2 0 242.407 2.251 10 0 BEAERP CO[C@@H]1C[N@H+](CCC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630363759 364080856 /nfs/dbraw/zinc/08/08/56/364080856.db2.gz ZIOILAOVMCNSPB-UONOGXRCSA-N 2 0 240.391 2.005 10 0 BEAERP CC(C)CC[NH2+][C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725272958 541340598 /nfs/dbraw/zinc/34/05/98/541340598.db2.gz WDTFMLGJSGKQSU-STQMWFEESA-N 2 0 210.365 2.297 10 0 BEAERP Cc1[nH+]ccc(N2C[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000630554193 364250702 /nfs/dbraw/zinc/25/07/02/364250702.db2.gz OSRXPNOZOPZYRZ-WPRPVWTQSA-N 2 0 239.750 2.074 10 0 BEAERP [NH3+]CC1([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000083328861 181361598 /nfs/dbraw/zinc/36/15/98/181361598.db2.gz MCUXYVYLUVNMKC-CQSZACIVSA-N 2 0 230.355 2.247 10 0 BEAERP [NH3+]CCCCCCC[NH2+]CCCCCCC[NH3+] ZINC000013742468 181375265 /nfs/dbraw/zinc/37/52/65/181375265.db2.gz HRKSHOLKRJTKAZ-UHFFFAOYSA-N 3 0 243.439 2.394 10 0 BEAERP CCCCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000574683566 365118229 /nfs/dbraw/zinc/11/82/29/365118229.db2.gz SCUSIQYLQQJZBH-KBPBESRZSA-N 2 0 242.407 2.171 10 0 BEAERP CCOCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574747851 365133599 /nfs/dbraw/zinc/13/35/99/365133599.db2.gz RCHGQECTVDMDPO-QWHCGFSZSA-N 2 0 242.407 2.027 10 0 BEAERP C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383426266 367620344 /nfs/dbraw/zinc/62/03/44/367620344.db2.gz CGXPBFGSQVVZRJ-YRGRVCCFSA-N 2 0 233.359 2.059 10 0 BEAERP C[C@@H]([NH2+]CCC1(F)CCC1)[C@H]1CCC[NH2+]C1 ZINC000581878532 367865282 /nfs/dbraw/zinc/86/52/82/367865282.db2.gz NDBNJWWHDSXGLN-NEPJUHHUSA-N 2 0 228.355 2.246 10 0 BEAERP C[C@@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000581878535 367865336 /nfs/dbraw/zinc/86/53/36/367865336.db2.gz NDBNJWWHDSXGLN-VXGBXAGGSA-N 2 0 228.355 2.246 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000566672544 326072638 /nfs/dbraw/zinc/07/26/38/326072638.db2.gz CXQCNJIMHAXBAS-YNEHKIRRSA-N 2 0 242.432 2.107 10 0 BEAERP C[C@H]([NH3+])c1cccc(C[NH+]2CCCC2)c1 ZINC000108271896 369384980 /nfs/dbraw/zinc/38/49/80/369384980.db2.gz IHQMLFHNYFKPRF-NSHDSACASA-N 2 0 204.317 2.302 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)[C@@H]1CC[NH2+]C1 ZINC000400102769 369342640 /nfs/dbraw/zinc/34/26/40/369342640.db2.gz GUNUYIKGJXYSNE-RYKAKRHSSA-N 2 0 236.403 2.400 10 0 BEAERP [NH3+]Cc1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000041264141 181485296 /nfs/dbraw/zinc/48/52/96/181485296.db2.gz ZJKLYSISBZRQKO-UHFFFAOYSA-N 2 0 234.343 2.056 10 0 BEAERP [NH3+]Cc1coc(C[NH+]2CCCCCC2)c1 ZINC000052381963 181495290 /nfs/dbraw/zinc/49/52/90/181495290.db2.gz MIFNUAZJTNSKNI-UHFFFAOYSA-N 2 0 208.305 2.114 10 0 BEAERP COc1cccc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631840134 372636793 /nfs/dbraw/zinc/63/67/93/372636793.db2.gz PWIAYWFXDQKFHQ-MBNYWOFBSA-N 2 0 248.370 2.283 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631844033 372642620 /nfs/dbraw/zinc/64/26/20/372642620.db2.gz DXBHQLGCDSWKSM-PWSUYJOCSA-N 2 0 238.762 2.367 10 0 BEAERP CCC[N@H+](C)C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052444590 169079135 /nfs/dbraw/zinc/07/91/35/169079135.db2.gz UMZTWFFETYLYOI-ZIAGYGMSSA-N 2 0 242.407 2.121 10 0 BEAERP CCC[NH+](CCC)C[C@]1(C[NH2+]CC)CCOC1 ZINC000051211299 169149639 /nfs/dbraw/zinc/14/96/39/169149639.db2.gz PBDATEHSOXLTCM-CQSZACIVSA-N 2 0 242.407 2.125 10 0 BEAERP CCCN(CC[NH+](C)C)c1ccccc1[C@@H](C)[NH3+] ZINC000045695113 169158283 /nfs/dbraw/zinc/15/82/83/169158283.db2.gz ZWUJPUSGSZEZEO-CYBMUJFWSA-N 2 0 249.402 2.484 10 0 BEAERP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000050368988 169190463 /nfs/dbraw/zinc/19/04/63/169190463.db2.gz VOOSSYBQRGGZPM-UONOGXRCSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000068590735 169191057 /nfs/dbraw/zinc/19/10/57/169191057.db2.gz VQBZYKSDBIFFKV-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC000037221199 169191956 /nfs/dbraw/zinc/19/19/56/169191956.db2.gz QJIYGSUYASZAFJ-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073653965 169206393 /nfs/dbraw/zinc/20/63/93/169206393.db2.gz UQUJSJQFNFSMPR-VXGBXAGGSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[NH2+]CC[C@@H](C)N(CCC)CC[NH+](C)C ZINC000052544295 169260033 /nfs/dbraw/zinc/26/00/33/169260033.db2.gz AQVRUSXZAMAYFB-CQSZACIVSA-N 2 0 243.439 2.038 10 0 BEAERP CCC[NH2+]C[C@H](CC)N(CCC)CC[NH+](C)C ZINC000052544134 169263350 /nfs/dbraw/zinc/26/33/50/169263350.db2.gz REUOIGPOLSAPIH-AWEZNQCLSA-N 2 0 243.439 2.038 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC000049709035 169281646 /nfs/dbraw/zinc/28/16/46/169281646.db2.gz ZVUSKHBWKOLQFT-CHWSQXEVSA-N 2 0 212.381 2.495 10 0 BEAERP CCCO[C@H]1CCC[N@@H+]([C@@](C)(C[NH3+])C(C)C)C1 ZINC000042421221 169312944 /nfs/dbraw/zinc/31/29/44/169312944.db2.gz QPJPUMKOIJOMOD-KBPBESRZSA-N 2 0 242.407 2.251 10 0 BEAERP CCC[C@@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044515902 169358894 /nfs/dbraw/zinc/35/88/94/169358894.db2.gz REWLUOMXXLQSKJ-GFCCVEGCSA-N 2 0 212.381 2.354 10 0 BEAERP CCC[C@@H]([NH3+])[C@@H](CC)N(C)Cc1ccncc1 ZINC000036775869 169393316 /nfs/dbraw/zinc/39/33/16/169393316.db2.gz YTTAZIZEWKPKHJ-ZIAGYGMSSA-N 2 0 235.375 2.419 10 0 BEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226858530 134370208 /nfs/dbraw/zinc/37/02/08/134370208.db2.gz GZFFYQUFKQSBIG-QWHCGFSZSA-N 2 0 212.381 2.495 10 0 BEAERP Cn1cccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000119814667 383869479 /nfs/dbraw/zinc/86/94/79/383869479.db2.gz AFFBWIUSHGUKCV-UHFFFAOYSA-N 2 0 249.402 2.235 10 0 BEAERP [NH3+]C[C@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000068591151 384002938 /nfs/dbraw/zinc/00/29/38/384002938.db2.gz OCTFQZCEZPAXSY-JSGCOSHPSA-N 2 0 236.334 2.085 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000335661240 384464381 /nfs/dbraw/zinc/46/43/81/384464381.db2.gz FREXHRJSJGVMME-WHXUTIOJSA-N 2 0 232.318 2.281 10 0 BEAERP Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])c(C)c1 ZINC000037713295 384509842 /nfs/dbraw/zinc/50/98/42/384509842.db2.gz GEEUGWAFXUYASQ-GFCCVEGCSA-N 2 0 206.333 2.303 10 0 BEAERP CCc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713402 384513117 /nfs/dbraw/zinc/51/31/17/384513117.db2.gz SDOWTXNIRXJSOR-NSHDSACASA-N 2 0 206.333 2.248 10 0 BEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000100267963 384627482 /nfs/dbraw/zinc/62/74/82/384627482.db2.gz YTPXQNBXWISFIJ-PHIMTYICSA-N 2 0 239.750 2.095 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccccn1 ZINC000100256576 384628394 /nfs/dbraw/zinc/62/83/94/384628394.db2.gz LKAWIXXLVZSGCR-UTUOFQBUSA-N 2 0 219.332 2.002 10 0 BEAERP CC1(C)C[C@@H]([NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000258799031 384669291 /nfs/dbraw/zinc/66/92/91/384669291.db2.gz SLFMJWPKTBYXKH-ZDUSSCGKSA-N 2 0 218.344 2.307 10 0 BEAERP CCC[NH+]1CCC([N@H+](C)C[C@H](C)COC)CC1 ZINC000124333553 384634347 /nfs/dbraw/zinc/63/43/47/384634347.db2.gz RUCWJQIFOBAATP-ZDUSSCGKSA-N 2 0 242.407 2.075 10 0 BEAERP [NH3+]C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011888433 384707384 /nfs/dbraw/zinc/70/73/84/384707384.db2.gz RDHICDHGPRESKH-CYBMUJFWSA-N 2 0 236.334 2.039 10 0 BEAERP C[NH+](C)CCC[NH+]1C[C@@H]2[C@@H](C1)C1CCC2CC1 ZINC000026740813 384793930 /nfs/dbraw/zinc/79/39/30/384793930.db2.gz XIGOUYOYBNFUEG-WUCCLRPBSA-N 2 0 236.403 2.306 10 0 BEAERP CC(C)(C[NH2+]C1CC[NH2+]CC1)C1CCC1 ZINC000258862249 384949173 /nfs/dbraw/zinc/94/91/73/384949173.db2.gz FOYMQMIAXCAVEY-UHFFFAOYSA-N 2 0 210.365 2.154 10 0 BEAERP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1C ZINC000258792744 384945549 /nfs/dbraw/zinc/94/55/49/384945549.db2.gz CFLCIEQABVKRGU-CQSZACIVSA-N 2 0 218.344 2.003 10 0 BEAERP CCC[C@H](C)C[NH2+]CCCC[NH+](C)C ZINC000045663670 385274260 /nfs/dbraw/zinc/27/42/60/385274260.db2.gz QZJLMYRUCRMDBJ-LBPRGKRZSA-N 2 0 200.370 2.354 10 0 BEAERP [NH3+]C1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000335041483 385933982 /nfs/dbraw/zinc/93/39/82/385933982.db2.gz IFWJHGGLAISVMH-UHFFFAOYSA-N 2 0 239.750 2.095 10 0 BEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000514660625 387050295 /nfs/dbraw/zinc/05/02/95/387050295.db2.gz YVYFAYPVOYARHI-HIFRSBDPSA-N 2 0 232.371 2.207 10 0 BEAERP C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000335007128 387100517 /nfs/dbraw/zinc/10/05/17/387100517.db2.gz FKRCJPKDEQGJDH-RYUDHWBXSA-N 2 0 222.376 2.297 10 0 BEAERP FC1(F)CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000335026517 387119450 /nfs/dbraw/zinc/11/94/50/387119450.db2.gz OXWMMBSWULLFKD-SNVBAGLBSA-N 2 0 232.318 2.296 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000575439369 387123214 /nfs/dbraw/zinc/12/32/14/387123214.db2.gz SXJZZCQVKIKXRZ-JTQLQIEISA-N 2 0 232.249 2.444 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000575439527 387124445 /nfs/dbraw/zinc/12/44/45/387124445.db2.gz DLJKOIUUCFPPJT-JTQLQIEISA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(Cl)c1F ZINC000575439849 387125518 /nfs/dbraw/zinc/12/55/18/387125518.db2.gz YTTFKXKWJULURW-VIFPVBQESA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)cc(F)c1F ZINC000575440199 387127901 /nfs/dbraw/zinc/12/79/01/387127901.db2.gz NTANTNPWJGYNQJ-JTQLQIEISA-N 2 0 232.249 2.233 10 0 BEAERP Cc1c(F)cccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440005 387128096 /nfs/dbraw/zinc/12/80/96/387128096.db2.gz QUHFNWYOMGJFQZ-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000575438404 387128716 /nfs/dbraw/zinc/12/87/16/387128716.db2.gz ITNAPAVZGBTJGF-SNVBAGLBSA-N 2 0 232.249 2.444 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000575438298 387129129 /nfs/dbraw/zinc/12/91/29/387129129.db2.gz HKIJLLTZABXIOF-JTQLQIEISA-N 2 0 230.258 2.027 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000575438313 387129137 /nfs/dbraw/zinc/12/91/37/387129137.db2.gz HQSLNDKZEQNFHO-JTQLQIEISA-N 2 0 216.687 2.218 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])c(F)c1F ZINC000575438355 387129304 /nfs/dbraw/zinc/12/93/04/387129304.db2.gz IDAQSBNGEWQATN-VIFPVBQESA-N 2 0 214.259 2.012 10 0 BEAERP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423308063 387144151 /nfs/dbraw/zinc/14/41/51/387144151.db2.gz XGKTYCKNCIMQRM-STQMWFEESA-N 2 0 224.392 2.400 10 0 BEAERP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000572474135 387187775 /nfs/dbraw/zinc/18/77/75/387187775.db2.gz WCTWXYMJIZIYDT-CHWSQXEVSA-N 2 0 236.359 2.108 10 0 BEAERP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000572474138 387189673 /nfs/dbraw/zinc/18/96/73/387189673.db2.gz WCTWXYMJIZIYDT-STQMWFEESA-N 2 0 236.359 2.108 10 0 BEAERP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000514825106 387290744 /nfs/dbraw/zinc/29/07/44/387290744.db2.gz QEYOBSCCCMIUKY-RYUDHWBXSA-N 2 0 222.376 2.154 10 0 BEAERP CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@@H]1C[C@H]1C ZINC000321952367 387335991 /nfs/dbraw/zinc/33/59/91/387335991.db2.gz XAFPEPKUHQIUCW-LPWJVIDDSA-N 2 0 210.365 2.105 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000643468323 387419316 /nfs/dbraw/zinc/41/93/16/387419316.db2.gz QBALEEIXAUISHF-WZRBSPASSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1cccc(OC(F)F)c1 ZINC000037713475 387564923 /nfs/dbraw/zinc/56/49/23/387564923.db2.gz VSDPLROUQLTAIB-SECBINFHSA-N 2 0 244.285 2.287 10 0 BEAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422745570 387648959 /nfs/dbraw/zinc/64/89/59/387648959.db2.gz MHLBHSKMWQOJKA-RYUDHWBXSA-N 2 0 218.344 2.254 10 0 BEAERP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978073 387788986 /nfs/dbraw/zinc/78/89/86/387788986.db2.gz GTUZOBMPPPXSQV-KBPBESRZSA-N 2 0 248.370 2.186 10 0 BEAERP FC1(CC[NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000423125709 387905330 /nfs/dbraw/zinc/90/53/30/387905330.db2.gz OBEVSTZFXMVCAL-NSHDSACASA-N 2 0 214.328 2.000 10 0 BEAERP C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400455836 387955505 /nfs/dbraw/zinc/95/55/05/387955505.db2.gz PXOSVAOOPGUQJY-KGLIPLIRSA-N 2 0 248.370 2.043 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@H]1CCC[C@H]([NH3+])C1 ZINC000071521078 388097228 /nfs/dbraw/zinc/09/72/28/388097228.db2.gz RGEJNWVOHDUDKB-KBPBESRZSA-N 2 0 218.344 2.388 10 0 BEAERP Cc1ccsc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400327498 388116117 /nfs/dbraw/zinc/11/61/17/388116117.db2.gz BVNSXMXETVDCOM-QWRGUYRKSA-N 2 0 224.373 2.144 10 0 BEAERP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400317825 388111416 /nfs/dbraw/zinc/11/14/16/388111416.db2.gz ADWZYTYVYVIVDH-GXTWGEPZSA-N 2 0 248.370 2.173 10 0 BEAERP CC(C)CC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400435601 256688396 /nfs/dbraw/zinc/68/83/96/256688396.db2.gz LEYKTJNKZBHRAD-OLZOCXBDSA-N 2 0 224.392 2.400 10 0 BEAERP CC(C)(C[NH2+]C1CC[NH2+]CC1)C1=CCCC1 ZINC000308758505 388449079 /nfs/dbraw/zinc/44/90/79/388449079.db2.gz RZMPRPXNEBSWJN-UHFFFAOYSA-N 2 0 222.376 2.465 10 0 BEAERP CC(C)C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000517229942 256819214 /nfs/dbraw/zinc/81/92/14/256819214.db2.gz MWSLNMXKRAGYSQ-CHWSQXEVSA-N 2 0 224.392 2.400 10 0 BEAERP C[NH+](C)Cc1ccc(-c2cccc(C[NH3+])c2)o1 ZINC000082297169 388586631 /nfs/dbraw/zinc/58/66/31/388586631.db2.gz NQNCUQJEJLEDII-UHFFFAOYSA-N 2 0 230.311 2.467 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000575439183 388624983 /nfs/dbraw/zinc/62/49/83/388624983.db2.gz QFGNADKOEYJWJK-SNVBAGLBSA-N 2 0 232.249 2.444 10 0 BEAERP CC1(C)CC(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000530220259 388631670 /nfs/dbraw/zinc/63/16/70/388631670.db2.gz TZBWJFCBNDHOCP-AVGNSLFASA-N 2 0 222.376 2.092 10 0 BEAERP CC(C)C(C[NH2+]C1CC[NH2+]CC1)C(C)C ZINC000229524834 388794156 /nfs/dbraw/zinc/79/41/56/388794156.db2.gz BXBQWFBEBWCYOE-UHFFFAOYSA-N 2 0 212.381 2.256 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000564823409 388891808 /nfs/dbraw/zinc/89/18/08/388891808.db2.gz UJSXMTFHOQZBCL-GHYVTOPFSA-N 2 0 222.376 2.010 10 0 BEAERP C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000400359348 533365705 /nfs/dbraw/zinc/36/57/05/533365705.db2.gz CNJJYURANQCKIW-MNOVXSKESA-N 2 0 224.392 2.256 10 0 BEAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400501078 533373872 /nfs/dbraw/zinc/37/38/72/533373872.db2.gz IOUFJYBEMJHDQR-TZMCWYRMSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400505681 533376058 /nfs/dbraw/zinc/37/60/58/533376058.db2.gz DEKGWVJSCRLWDW-NXEZZACHSA-N 2 0 220.307 2.009 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400322372 533434564 /nfs/dbraw/zinc/43/45/64/533434564.db2.gz BMBUDTZVYARCAZ-FVCCEPFGSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400335425 533505432 /nfs/dbraw/zinc/50/54/32/533505432.db2.gz FFONLLMNIKRLNV-SCRDCRAPSA-N 2 0 218.344 2.335 10 0 BEAERP C[C@@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000400483143 533532510 /nfs/dbraw/zinc/53/25/10/533532510.db2.gz WRHMLCPKZGTXBX-WZRBSPASSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)C1(C)CC1 ZINC000222735936 134334164 /nfs/dbraw/zinc/33/41/64/134334164.db2.gz IHZQTFVSGPGEBV-QJPTWQEYSA-N 2 0 210.365 2.247 10 0 BEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222738337 134334232 /nfs/dbraw/zinc/33/42/32/134334232.db2.gz ABRHDYYCKVYWIL-WUHRBBMRSA-N 2 0 212.381 2.493 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226857759 134369701 /nfs/dbraw/zinc/36/97/01/134369701.db2.gz PPICIUYARLKCGY-STQMWFEESA-N 2 0 210.365 2.203 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000252732456 135105046 /nfs/dbraw/zinc/10/50/46/135105046.db2.gz VDUPWUSEVQNAQH-CRWXNKLISA-N 2 0 224.392 2.495 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261538124 135175418 /nfs/dbraw/zinc/17/54/18/135175418.db2.gz DVEGQXYBGFGWDQ-WOPDTQHZSA-N 2 0 246.345 2.481 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261538122 135175466 /nfs/dbraw/zinc/17/54/66/135175466.db2.gz DVEGQXYBGFGWDQ-IJLUTSLNSA-N 2 0 246.345 2.481 10 0 BEAERP Cc1csc(CN2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261564474 135206316 /nfs/dbraw/zinc/20/63/16/135206316.db2.gz CPVUCOQHFZWMKW-JTQLQIEISA-N 2 0 239.388 2.011 10 0 BEAERP CCC(CC)(CC)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261575480 135216730 /nfs/dbraw/zinc/21/67/30/135216730.db2.gz JUEUJWBRPMLVNJ-GFCCVEGCSA-N 2 0 212.381 2.483 10 0 BEAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCCC2(CCC2)C1 ZINC000261802036 135254644 /nfs/dbraw/zinc/25/46/44/135254644.db2.gz HAAKFTDDPZCJFG-CYBMUJFWSA-N 2 0 222.376 2.252 10 0 BEAERP CC1(C)CCC([NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000335173469 135930439 /nfs/dbraw/zinc/93/04/39/135930439.db2.gz GDCGMJKQWCXLEA-LLVKDONJSA-N 2 0 210.365 2.154 10 0 BEAERP CC(C)N(C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309335019 398075791 /nfs/dbraw/zinc/07/57/91/398075791.db2.gz IUWLNTUSETVYNW-OLZOCXBDSA-N 2 0 230.371 2.445 10 0 BEAERP Cc1ccc(C)c(C[NH2+]CC[C@H](C)[NH3+])c1 ZINC000258702238 322875357 /nfs/dbraw/zinc/87/53/57/322875357.db2.gz GWRJIYKQJLOPRC-LBPRGKRZSA-N 2 0 206.333 2.130 10 0 BEAERP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Cl ZINC000258760807 322877304 /nfs/dbraw/zinc/87/73/04/322877304.db2.gz AENBOZBGEFMVDJ-JTQLQIEISA-N 2 0 242.725 2.178 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]12 ZINC000662266470 409564913 /nfs/dbraw/zinc/56/49/13/409564913.db2.gz MDCDQXZFVRURQQ-HZSPNIEDSA-N 2 0 222.376 2.236 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662266588 409567018 /nfs/dbraw/zinc/56/70/18/409567018.db2.gz NIONPDIVYPISIM-NOOOWODRSA-N 2 0 246.345 2.337 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263935 410737322 /nfs/dbraw/zinc/73/73/22/410737322.db2.gz YIWYEXLKLWTSKD-RQJABVFESA-N 2 0 222.376 2.154 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC[NH+](C)CC1 ZINC000396445564 410882165 /nfs/dbraw/zinc/88/21/65/410882165.db2.gz DKQLUYHHQOMBBZ-SPWCGHHHSA-N 2 0 236.403 2.495 10 0 BEAERP CC(C)[NH2+]CCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380737 167102372 /nfs/dbraw/zinc/10/23/72/167102372.db2.gz XICPORMWPNJHJG-KBPBESRZSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507208 167113219 /nfs/dbraw/zinc/11/32/19/167113219.db2.gz IWZIOXULGKQASP-KBPBESRZSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000053012539 167113676 /nfs/dbraw/zinc/11/36/76/167113676.db2.gz WGJRLQSDNXREOY-LBPRGKRZSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1 ZINC000053694074 167114231 /nfs/dbraw/zinc/11/42/31/167114231.db2.gz FDOSSVJMJDOCIN-ZDUSSCGKSA-N 2 0 219.332 2.048 10 0 BEAERP CC(C)[NH2+]C[C@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 ZINC000053031985 167114878 /nfs/dbraw/zinc/11/48/78/167114878.db2.gz CQQSVFBNSHXSDR-GFCCVEGCSA-N 2 0 236.403 2.495 10 0 BEAERP CC[NH+](CC)C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052378392 169790303 /nfs/dbraw/zinc/79/03/03/169790303.db2.gz MZXHJIKNOUSSAP-ZIAGYGMSSA-N 2 0 242.407 2.121 10 0 BEAERP c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129115492 411230166 /nfs/dbraw/zinc/23/01/66/411230166.db2.gz NEOXQYHWGPUPDI-KBPBESRZSA-N 2 0 230.355 2.058 10 0 BEAERP [NH3+]CC1(CCNc2cc[nH+]c3ccccc23)CC1 ZINC000395888482 411256080 /nfs/dbraw/zinc/25/60/80/411256080.db2.gz QJZBEFJJICACRP-UHFFFAOYSA-N 2 0 241.338 2.198 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783029 411360371 /nfs/dbraw/zinc/36/03/71/411360371.db2.gz MCDMYQKOMQHFDT-RDBSUJKOSA-N 2 0 247.386 2.163 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073653868 170012751 /nfs/dbraw/zinc/01/27/51/170012751.db2.gz PPICIUYARLKCGY-CHWSQXEVSA-N 2 0 210.365 2.203 10 0 BEAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)[C@H](C)COC ZINC000051251394 170110542 /nfs/dbraw/zinc/11/05/42/170110542.db2.gz XYQFPLZIPJNVEV-CYBMUJFWSA-N 2 0 244.423 2.369 10 0 BEAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423921 170112415 /nfs/dbraw/zinc/11/24/15/170112415.db2.gz QTEQTABMSDWTAU-CQSZACIVSA-N 2 0 249.402 2.334 10 0 BEAERP CC[NH2+]C[C@](C)(CC)C[N@H+](C)C1CCOCC1 ZINC000051218323 170123363 /nfs/dbraw/zinc/12/33/63/170123363.db2.gz CEDRBKAEWKCVJX-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]Cc1cc(C[N@H+](CC)[C@H](C)CC)on1 ZINC000052451141 170125336 /nfs/dbraw/zinc/12/53/36/170125336.db2.gz VNDZUUIONXQBDA-LLVKDONJSA-N 2 0 239.363 2.405 10 0 BEAERP CC[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000045205607 170128629 /nfs/dbraw/zinc/12/86/29/170128629.db2.gz BYRMYWUUIGCVBA-UHFFFAOYSA-N 2 0 218.344 2.392 10 0 BEAERP CC[NH2+][C@@H](CC[N@H+](CC)CCOC)C(C)(C)C ZINC000054029057 170144879 /nfs/dbraw/zinc/14/48/79/170144879.db2.gz GTQGUEOKTPYTGU-ZDUSSCGKSA-N 2 0 244.423 2.369 10 0 BEAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000049710668 170151207 /nfs/dbraw/zinc/15/12/07/170151207.db2.gz GEOYLNODKLZZGP-GXTWGEPZSA-N 2 0 224.392 2.497 10 0 BEAERP CC[NH2+][C@@H]1CCc2c1cccc2OCC[NH+](C)C ZINC000062799768 170153790 /nfs/dbraw/zinc/15/37/90/170153790.db2.gz SZXVMIBAJCAIOF-CQSZACIVSA-N 2 0 248.370 2.224 10 0 BEAERP CC[NH2+][C@H](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000104421715 170157025 /nfs/dbraw/zinc/15/70/25/170157025.db2.gz DZHVUNIPPAZMMT-CYBMUJFWSA-N 2 0 247.386 2.292 10 0 BEAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000053862425 170166893 /nfs/dbraw/zinc/16/68/93/170166893.db2.gz OSKPUASRNJYNGX-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP CCOCCC[N@@H+]1CC[C@H](C)[NH2+][C@@H](CC)CC1 ZINC000049665159 170374607 /nfs/dbraw/zinc/37/46/07/170374607.db2.gz PKRLXDJHKBOGDA-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CCOCCC[NH2+]C[C@H](C)N1CCC[C@H](C)C1 ZINC000053486434 170380466 /nfs/dbraw/zinc/38/04/66/170380466.db2.gz UUSZFDHLULEZEJ-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP CCOCC[N@H+](CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000104188751 170396636 /nfs/dbraw/zinc/39/66/36/170396636.db2.gz WHHUYCBDQIAOML-AWEZNQCLSA-N 2 0 244.423 2.369 10 0 BEAERP CC[C@@H]1CC[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000049666800 171011547 /nfs/dbraw/zinc/01/15/47/171011547.db2.gz YEIXGULPMXXNAP-OAHLLOKOSA-N 2 0 247.386 2.088 10 0 BEAERP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]CC1 ZINC000662267218 412058666 /nfs/dbraw/zinc/05/86/66/412058666.db2.gz RHHMSGADCUFWHH-CRWXNKLISA-N 2 0 222.376 2.106 10 0 BEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000042517526 171056921 /nfs/dbraw/zinc/05/69/21/171056921.db2.gz FBCIBSSHFAGLDA-REWJHTLYSA-N 2 0 242.407 2.107 10 0 BEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128001 171114247 /nfs/dbraw/zinc/11/42/47/171114247.db2.gz FEAZIDNFVDVTPC-AAVRWANBSA-N 2 0 240.391 2.003 10 0 BEAERP CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCOC[C@@H]1C ZINC000035775023 171296204 /nfs/dbraw/zinc/29/62/04/171296204.db2.gz QWGTXWBBERZKNM-IHRRRGAJSA-N 2 0 242.407 2.251 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)[C@@H](C)CC[NH2+]C1CC1 ZINC000052547478 171315204 /nfs/dbraw/zinc/31/52/04/171315204.db2.gz JZSBCGNXZQNZOS-STQMWFEESA-N 2 0 242.407 2.264 10 0 BEAERP CC[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019111 171340467 /nfs/dbraw/zinc/34/04/67/171340467.db2.gz ZXJZCOMJBQPMDF-WODVXLOZSA-N 2 0 210.365 2.247 10 0 BEAERP CC[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665238112 412179192 /nfs/dbraw/zinc/17/91/92/412179192.db2.gz QXNHFVDSIFILJJ-RWMBFGLXSA-N 2 0 212.381 2.400 10 0 BEAERP CC(C)[C@H]([NH3+])CCNc1cc[nH+]c2ccccc12 ZINC000663275976 412405664 /nfs/dbraw/zinc/40/56/64/412405664.db2.gz IBHAXQKTXDTKOP-CYBMUJFWSA-N 2 0 243.354 2.442 10 0 BEAERP CCc1ccc([C@@H](C[NH3+])CC[NH+](C)C)cc1 ZINC000041234459 171832923 /nfs/dbraw/zinc/83/29/23/171832923.db2.gz QRUNOARLSJLZFF-CQSZACIVSA-N 2 0 220.360 2.243 10 0 BEAERP CCn1cc[nH+]c1NCCCC[N@H+](C)C(C)C ZINC000050614307 172227127 /nfs/dbraw/zinc/22/71/27/172227127.db2.gz NEHYQNNMGXPTCH-UHFFFAOYSA-N 2 0 238.379 2.435 10 0 BEAERP CCn1cc[nH+]c1N[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104305365 172228148 /nfs/dbraw/zinc/22/81/48/172228148.db2.gz UIKIQUZTTZNDQY-AAEUAGOBSA-N 2 0 236.363 2.223 10 0 BEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CC1(C)C ZINC000052206235 173006118 /nfs/dbraw/zinc/00/61/18/173006118.db2.gz PAUYKLFAVXGBNF-VXGBXAGGSA-N 2 0 210.365 2.249 10 0 BEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCCC1 ZINC000049772947 173007781 /nfs/dbraw/zinc/00/77/81/173007781.db2.gz CLABDDCKXWRCIX-ZDUSSCGKSA-N 2 0 210.365 2.393 10 0 BEAERP C[N@@H+]1CCCC[C@H]1COc1ccccc1C[NH3+] ZINC000020352414 173010004 /nfs/dbraw/zinc/01/00/04/173010004.db2.gz RSKIKWUPLONSHA-ZDUSSCGKSA-N 2 0 234.343 2.008 10 0 BEAERP C[N@@H+]1CCC[C@H]([C@H]([NH3+])c2ccccc2)C1 ZINC000033882196 173048308 /nfs/dbraw/zinc/04/83/08/173048308.db2.gz BINAJLITODPBLY-QWHCGFSZSA-N 2 0 204.317 2.028 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484661 173114510 /nfs/dbraw/zinc/11/45/10/173114510.db2.gz YDWKBNMCYXJGRN-ZDUSSCGKSA-N 2 0 210.365 2.108 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037645877 173115123 /nfs/dbraw/zinc/11/51/23/173115123.db2.gz IEDLBGXIBBUQCM-NSHDSACASA-N 2 0 240.297 2.006 10 0 BEAERP CN1CC[C@H]([NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000216040048 173148280 /nfs/dbraw/zinc/14/82/80/173148280.db2.gz DUXQDTZEIPNHRZ-KGLIPLIRSA-N 2 0 218.344 2.036 10 0 BEAERP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000042548004 173155677 /nfs/dbraw/zinc/15/56/77/173155677.db2.gz ZVUWXNNABIDIHA-NSHDSACASA-N 2 0 227.311 2.351 10 0 BEAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC(F)(F)F)C2 ZINC000063099146 173207513 /nfs/dbraw/zinc/20/75/13/173207513.db2.gz LRSBOXJDDFOICL-PBINXNQUSA-N 2 0 236.281 2.154 10 0 BEAERP C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000037259771 173322577 /nfs/dbraw/zinc/32/25/77/173322577.db2.gz DZDHZPIYKAQXAN-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541606 173358231 /nfs/dbraw/zinc/35/82/31/173358231.db2.gz ORZCPWRJHFGSIW-LBPRGKRZSA-N 2 0 236.359 2.125 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012854 173370159 /nfs/dbraw/zinc/37/01/59/173370159.db2.gz KBVVCOSVNXEQFB-CPCZMJQVSA-N 2 0 210.365 2.106 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034212 173380790 /nfs/dbraw/zinc/38/07/90/173380790.db2.gz PTBLZHSMLIYUIK-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419383 173382921 /nfs/dbraw/zinc/38/29/21/173382921.db2.gz BTIFZQFVUGWNNT-KGLIPLIRSA-N 2 0 240.391 2.018 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)CC2)on1 ZINC000104356441 173387203 /nfs/dbraw/zinc/38/72/03/173387203.db2.gz JVMPHPMPAPAHHD-NSHDSACASA-N 2 0 237.347 2.016 10 0 BEAERP C[NH2+]Cc1ccc(OCC[N@H+](C)C(C)C)cc1 ZINC000052419599 173388754 /nfs/dbraw/zinc/38/87/54/173388754.db2.gz GFMOWLFMNJSFKB-UHFFFAOYSA-N 2 0 236.359 2.125 10 0 BEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484680 173390146 /nfs/dbraw/zinc/39/01/46/173390146.db2.gz LWOAIRHYVHAXGE-LBPRGKRZSA-N 2 0 218.344 2.248 10 0 BEAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)C1 ZINC000052484458 173390230 /nfs/dbraw/zinc/39/02/30/173390230.db2.gz AVQGNRXDPFEQLB-CYBMUJFWSA-N 2 0 248.370 2.127 10 0 BEAERP C[NH2+]Cc1ccoc1C[NH+]1CCCCCC1 ZINC000052381841 173391210 /nfs/dbraw/zinc/39/12/10/173391210.db2.gz AFGMRLIGWGUTCB-UHFFFAOYSA-N 2 0 222.332 2.375 10 0 BEAERP COC(C)(C)C[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104140731 173947827 /nfs/dbraw/zinc/94/78/27/173947827.db2.gz YOYOYFLLUINGQH-NWDGAFQWSA-N 2 0 242.407 2.249 10 0 BEAERP COCC[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000042517605 174284596 /nfs/dbraw/zinc/28/45/96/174284596.db2.gz FPNIPWUXCYLYBP-OCCSQVGLSA-N 2 0 240.391 2.005 10 0 BEAERP COc1ccc([C@@H](C)[NH3+])cc1C[NH+]1CCCC1 ZINC000037396343 175176341 /nfs/dbraw/zinc/17/63/41/175176341.db2.gz RVJGLMIXTSKISA-LLVKDONJSA-N 2 0 234.343 2.311 10 0 BEAERP COc1ccc([C@@H](C)[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521473 175176369 /nfs/dbraw/zinc/17/63/69/175176369.db2.gz WHVJEEGXCRCCID-LLVKDONJSA-N 2 0 234.343 2.179 10 0 BEAERP COc1ccc([C@H]([NH3+])CC[NH+]2CCCC2)cc1 ZINC000020274049 175191921 /nfs/dbraw/zinc/19/19/21/175191921.db2.gz OOORKEVKYJEFLS-CQSZACIVSA-N 2 0 234.343 2.181 10 0 BEAERP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427411 175260344 /nfs/dbraw/zinc/26/03/44/175260344.db2.gz ZMPJNYHXFVCQHX-GXTWGEPZSA-N 2 0 248.370 2.254 10 0 BEAERP COc1cccc([C@@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000020521466 175286644 /nfs/dbraw/zinc/28/66/44/175286644.db2.gz OPGVSVMPPZVDQK-LLVKDONJSA-N 2 0 234.343 2.179 10 0 BEAERP COc1ccccc1[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C ZINC000082334319 175349494 /nfs/dbraw/zinc/34/94/94/175349494.db2.gz ZGJLCYHBTNSBGW-RISCZKNCSA-N 2 0 234.343 2.037 10 0 BEAERP C[C@@H]([NH3+])[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346402 176011401 /nfs/dbraw/zinc/01/14/01/176011401.db2.gz WFFCTQVEEJFUHE-MNOVXSKESA-N 2 0 212.381 2.480 10 0 BEAERP C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000049813580 176020320 /nfs/dbraw/zinc/02/03/20/176020320.db2.gz XOJDJEACUUZLTI-NEPJUHHUSA-N 2 0 206.333 2.274 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000049814816 176072194 /nfs/dbraw/zinc/07/21/94/176072194.db2.gz RWGNRNBNBWXGDD-GFCCVEGCSA-N 2 0 210.365 2.380 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058058448 176072905 /nfs/dbraw/zinc/07/29/05/176072905.db2.gz HVQXIJXDQHORAG-AGIUHOORSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000037910063 176110159 /nfs/dbraw/zinc/11/01/59/176110159.db2.gz WTXQLHOHNIIRTH-LLVKDONJSA-N 2 0 204.317 2.130 10 0 BEAERP C[C@@H]1CC[NH+](CC(C)(C)C)CC[C@@H](C)[NH2+]1 ZINC000049667088 176168495 /nfs/dbraw/zinc/16/84/95/176168495.db2.gz DKQMUVPNAURAKK-VXGBXAGGSA-N 2 0 212.381 2.495 10 0 BEAERP C[C@@H]1CC[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000040717076 176172136 /nfs/dbraw/zinc/17/21/36/176172136.db2.gz HBRZEMCNMJPMIL-TZMCWYRMSA-N 2 0 218.344 2.071 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000042427267 176202698 /nfs/dbraw/zinc/20/26/98/176202698.db2.gz UULKCNKNLCNSLY-MNOVXSKESA-N 2 0 224.373 2.307 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)Cc2ccco2)C1 ZINC000035700797 176223747 /nfs/dbraw/zinc/22/37/47/176223747.db2.gz FXBAKHCVUWVZLW-YRGRVCCFSA-N 2 0 236.359 2.475 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000036777088 176224364 /nfs/dbraw/zinc/22/43/64/176224364.db2.gz UEMGKOSDFILOKV-UMVBOHGHSA-N 2 0 247.386 2.277 10 0 BEAERP C[C@@H]1C[N@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062615835 176288907 /nfs/dbraw/zinc/28/89/07/176288907.db2.gz HHPZMYYSXMIEDX-CQSZACIVSA-N 2 0 232.371 2.303 10 0 BEAERP C[C@@H]1C[N@H+](CCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000104436825 176291864 /nfs/dbraw/zinc/29/18/64/176291864.db2.gz RYKXIIYVKYVTQP-OCCSQVGLSA-N 2 0 240.391 2.005 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000082346548 176329395 /nfs/dbraw/zinc/32/93/95/176329395.db2.gz FIHYLOPZALKCDP-UKRRQHHQSA-N 2 0 230.355 2.118 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[NH3+])CCCC2)C1 ZINC000051206889 176360663 /nfs/dbraw/zinc/36/06/63/176360663.db2.gz PTTVWLKUNQEDRG-CHWSQXEVSA-N 2 0 224.392 2.483 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915911 487635038 /nfs/dbraw/zinc/63/50/38/487635038.db2.gz RVKBRXDCICPMFX-IHRRRGAJSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@H](c1ccsc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050345222 177051322 /nfs/dbraw/zinc/05/13/22/177051322.db2.gz RLIPSNRALZYCOO-NXEZZACHSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@H]1CCCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482369 177075240 /nfs/dbraw/zinc/07/52/40/177075240.db2.gz GJKWPNZHNYANFF-HIFPTAJRSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@H]1CCCC[N@@H+]1Cc1occc1C[NH3+] ZINC000052378735 177079187 /nfs/dbraw/zinc/07/91/87/177079187.db2.gz MFIZNEJPRAFIIP-JTQLQIEISA-N 2 0 208.305 2.113 10 0 BEAERP C[C@H]1CCCC[C@H]1[NH+]1CCC[NH2+]CCC1 ZINC000049665320 177087173 /nfs/dbraw/zinc/08/71/73/177087173.db2.gz WDNUUNHKJGCJIW-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1CCC[N@H+](Cc2cccnc2C[NH3+])CC1 ZINC000104347498 177101126 /nfs/dbraw/zinc/10/11/26/177101126.db2.gz YYRVMEFURZKICT-LBPRGKRZSA-N 2 0 233.359 2.162 10 0 BEAERP C[C@H]1CCC[N@@H+]1CCCOc1ccccc1C[NH3+] ZINC000037910096 177109460 /nfs/dbraw/zinc/10/94/60/177109460.db2.gz HZMOAFRVKPFHNB-ZDUSSCGKSA-N 2 0 248.370 2.399 10 0 BEAERP C[C@@H]1CCC[C@H](C)C1[NH2+]C1CCN(C)CC1 ZINC000037248712 177113728 /nfs/dbraw/zinc/11/37/28/177113728.db2.gz CMRQJQJBPUQJQS-ONXXMXGDSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000019479431 177135079 /nfs/dbraw/zinc/13/50/79/177135079.db2.gz RWWYMGPURNNWNQ-LOWVWBTDSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000038040602 177136370 /nfs/dbraw/zinc/13/63/70/177136370.db2.gz GLILUBLVMICMFH-LOWVWBTDSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CC(C)(C)C)C1 ZINC000049667090 177158320 /nfs/dbraw/zinc/15/83/20/177158320.db2.gz NZXWMZDWJBAESX-NEPJUHHUSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H]1CC[N@@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000055016302 177170320 /nfs/dbraw/zinc/17/03/20/177170320.db2.gz LLFVZNSTAWNKAJ-JSGCOSHPSA-N 2 0 218.344 2.418 10 0 BEAERP C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH3+] ZINC000068592771 177266100 /nfs/dbraw/zinc/26/61/00/177266100.db2.gz CNGGMQNYSIBNDV-RMRHIDDWSA-N 2 0 232.371 2.490 10 0 BEAERP C[C@H]1C[NH2+]CCC[N@H+](CC2CCCCC2)C1 ZINC000049666080 177282138 /nfs/dbraw/zinc/28/21/38/177282138.db2.gz JNVXPXAIOFEGHG-ZDUSSCGKSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CC2CCCC2)C1 ZINC000049666022 177286167 /nfs/dbraw/zinc/28/61/67/177286167.db2.gz TVCKCAZMFGQXIQ-BETUJISGSA-N 2 0 224.392 2.354 10 0 BEAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(F)cc1 ZINC000049708199 177326943 /nfs/dbraw/zinc/32/69/43/177326943.db2.gz PVIKCEVEHRXVHA-FZMZJTMJSA-N 2 0 236.334 2.180 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171882 177358724 /nfs/dbraw/zinc/35/87/24/177358724.db2.gz VGNQZVZHQGPECK-AVGNSLFASA-N 2 0 210.365 2.106 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](Cc2cc(C[NH3+])co2)C1 ZINC000052420758 177358868 /nfs/dbraw/zinc/35/88/68/177358868.db2.gz SXKUSLNGRVOAEM-QWRGUYRKSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](CC2CCC([NH3+])CC2)C1 ZINC000037482397 177359167 /nfs/dbraw/zinc/35/91/67/177359167.db2.gz BFWJAEKFMYPDBD-FEPKRQSRSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC1CCCCC1 ZINC000104436809 177364431 /nfs/dbraw/zinc/36/44/31/177364431.db2.gz FBCAZTYABKPMIJ-QWHCGFSZSA-N 2 0 240.391 2.147 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400359825 225066533 /nfs/dbraw/zinc/06/65/33/225066533.db2.gz 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C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403330492 322948953 /nfs/dbraw/zinc/94/89/53/322948953.db2.gz FWSAPFANQSUBSF-YIYPIFLZSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562958813 323035234 /nfs/dbraw/zinc/03/52/34/323035234.db2.gz SQLKKHRGAVMYQI-FZMZJTMJSA-N 2 0 236.403 2.400 10 0 BEAERP C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562958814 323035250 /nfs/dbraw/zinc/03/52/50/323035250.db2.gz SQLKKHRGAVMYQI-RISCZKNCSA-N 2 0 236.403 2.400 10 0 BEAERP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958815 323035256 /nfs/dbraw/zinc/03/52/56/323035256.db2.gz SQLKKHRGAVMYQI-SMDDNHRTSA-N 2 0 236.403 2.400 10 0 BEAERP CSCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000570441972 323059457 /nfs/dbraw/zinc/05/94/57/323059457.db2.gz IISIJEAWNHEBBA-OLZOCXBDSA-N 2 0 244.448 2.497 10 0 BEAERP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000572111824 323540204 /nfs/dbraw/zinc/54/02/04/323540204.db2.gz 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/nfs/dbraw/zinc/07/26/09/326072609.db2.gz CXQCNJIMHAXBAS-RWMBFGLXSA-N 2 0 242.432 2.107 10 0 BEAERP Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000257656768 488076436 /nfs/dbraw/zinc/07/64/36/488076436.db2.gz QVWKNRQHPJPTFD-WDEREUQCSA-N 2 0 205.305 2.072 10 0 BEAERP CC(C)[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168533085 487516160 /nfs/dbraw/zinc/51/61/60/487516160.db2.gz JOBZIPIAQZTREO-LBPRGKRZSA-N 2 0 224.392 2.495 10 0 BEAERP C[NH+](C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000061124899 487606515 /nfs/dbraw/zinc/60/65/15/487606515.db2.gz MYIUPGSVCBMNBA-UHFFFAOYSA-N 2 0 243.354 2.276 10 0 BEAERP C[C@H]([NH3+])CC[NH2+]CC(C)(C)c1ccccc1 ZINC000258840835 488138161 /nfs/dbraw/zinc/13/81/61/488138161.db2.gz WCYRLPRCKNYLLK-LBPRGKRZSA-N 2 0 220.360 2.291 10 0 BEAERP C[NH2+]CCC1CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000069730328 490182221 /nfs/dbraw/zinc/18/22/21/490182221.db2.gz NJUBXYDUIGNCHU-LBPRGKRZSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H]([NH2+]CC1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400553042 533838306 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CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400349547 527844611 /nfs/dbraw/zinc/84/46/11/527844611.db2.gz JJHOZGUOWSONRM-RWMBFGLXSA-N 2 0 212.381 2.399 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858025 534958682 /nfs/dbraw/zinc/95/86/82/534958682.db2.gz UQUJSJQFNFSMPR-RYUDHWBXSA-N 2 0 212.381 2.495 10 0 BEAERP CC1(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000232910407 535151121 /nfs/dbraw/zinc/15/11/21/535151121.db2.gz OVNUCBCPZKQYBK-RYUDHWBXSA-N 2 0 210.365 2.284 10 0 BEAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000222737720 535940261 /nfs/dbraw/zinc/94/02/61/535940261.db2.gz ZJKRQSXLDKXDQX-UPJWGTAASA-N 2 0 210.365 2.247 10 0 BEAERP COCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757129540 582503856 /nfs/dbraw/zinc/50/38/56/582503856.db2.gz LVPKSLOZKOSVLV-RDBSUJKOSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132975 582508879 /nfs/dbraw/zinc/50/88/79/582508879.db2.gz SHXNQGQFOJWUPZ-YRGRVCCFSA-N 2 0 222.376 2.391 10 0 BEAERP C(C[N@@H+]1CCC[C@@]12CN1CCC2CC1)C1CC1 ZINC000757134177 582510193 /nfs/dbraw/zinc/51/01/93/582510193.db2.gz WRCWNRDJFGFOEQ-HNNXBMFYSA-N 2 0 234.387 2.347 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](c2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000757212739 582560694 /nfs/dbraw/zinc/56/06/94/582560694.db2.gz JSQDQPUOHWQBCD-COPLHBTASA-N 2 0 218.344 2.452 10 0 BEAERP CC(=O)c1cccc([C@@H]2[NH2+][C@H](C)CC[C@@H]2C[NH3+])c1 ZINC000757218872 582563208 /nfs/dbraw/zinc/56/32/08/582563208.db2.gz XJCZXMUCVHJDQI-KMUNFCNLSA-N 2 0 246.354 2.277 10 0 BEAERP C[C@@H]1C[C@H](C)C[NH2+][C@H]1c1cccc(C[NH3+])c1 ZINC000757218725 582563521 /nfs/dbraw/zinc/56/35/21/582563521.db2.gz VXYXAFQBRSUKEJ-MISXGVKJSA-N 2 0 218.344 2.452 10 0 BEAERP C[C@@H]1C[NH2+][C@H](c2cccc(C[NH3+])c2)[C@@H](C)C1 ZINC000757218727 582563726 /nfs/dbraw/zinc/56/37/26/582563726.db2.gz VXYXAFQBRSUKEJ-MJVIPROJSA-N 2 0 218.344 2.452 10 0 BEAERP CCc1cccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675055013 583949182 /nfs/dbraw/zinc/94/91/82/583949182.db2.gz PMLRJMBOBFNYEG-UONOGXRCSA-N 2 0 218.344 2.343 10 0 BEAERP CC(C)[C@H]1OC2(CC[NH+](C)CC2)[NH2+]CC1(C)C ZINC000757138732 586427345 /nfs/dbraw/zinc/42/73/45/586427345.db2.gz DFNJHTYAYZOWPG-GFCCVEGCSA-N 2 0 240.391 2.079 10 0 BEAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757150046 586428685 /nfs/dbraw/zinc/42/86/85/586428685.db2.gz OYMQAAJBQSKGCZ-OCCSQVGLSA-N 2 0 240.391 2.081 10 0 BEAERP C[C@@H]1C[C@H](c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000757210699 586438374 /nfs/dbraw/zinc/43/83/74/586438374.db2.gz GSIGLPBJSFAMOP-ZWNOBZJWSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]1CCC[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757209465 586438571 /nfs/dbraw/zinc/43/85/71/586438571.db2.gz FHFKYYCWQMTLJJ-GWCFXTLKSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1[NH2+]CCC[C@@H]1c1ccc(C[NH3+])cc1 ZINC000757212804 586439527 /nfs/dbraw/zinc/43/95/27/586439527.db2.gz JVTVIIIEEMFCBF-GWCFXTLKSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]1C[C@@H](c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000757214945 586440091 /nfs/dbraw/zinc/44/00/91/586440091.db2.gz MWISOVYHKMMREC-GWCFXTLKSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1C[C@@H](c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000757214985 586440219 /nfs/dbraw/zinc/44/02/19/586440219.db2.gz MWISOVYHKMMREC-MFKMUULPSA-N 2 0 204.317 2.001 10 0 BEAERP [NH3+]CC[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000757215988 586440589 /nfs/dbraw/zinc/44/05/89/586440589.db2.gz OEVLJPMDXNULOY-WCQYABFASA-N 2 0 204.317 2.076 10 0 BEAERP [NH3+]C[C@@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757220427 586442409 /nfs/dbraw/zinc/44/24/09/586442409.db2.gz ZEBOMRMDUMCHEW-MFKMUULPSA-N 2 0 229.327 2.167 10 0 BEAERP [NH3+]CC[C@H]1CC[C@H](c2ccsc2)[NH2+]C1 ZINC000757218867 586442415 /nfs/dbraw/zinc/44/24/15/586442415.db2.gz XHHVHPZFYMBDDS-MWLCHTKSSA-N 2 0 210.346 2.138 10 0 BEAERP C[C@@H]1C[C@H](C)[NH2+][C@H]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000757238461 586444069 /nfs/dbraw/zinc/44/40/69/586444069.db2.gz RZXRYPZVSKLRMU-MOLYVOAJSA-N 2 0 210.365 2.151 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250770551 635495456 /nfs/dbraw/zinc/49/54/56/635495456.db2.gz UTUQLICAIZRQDS-CFVMTHIKSA-N 2 0 230.355 2.084 10 0 BEAERP C[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000044535229 640400819 /nfs/dbraw/zinc/40/08/19/640400819.db2.gz BVIBDNVSZMCKPK-HNNXBMFYSA-N 2 0 232.371 2.161 10 0 BEAERP [NH3+]C1(C[NH2+][C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000088052038 641282082 /nfs/dbraw/zinc/28/20/82/641282082.db2.gz ZSKWSVGOEYMLHW-STQMWFEESA-N 2 0 216.328 2.014 10 0 BEAERP Cc1scc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1C ZINC000400395412 642514056 /nfs/dbraw/zinc/51/40/56/642514056.db2.gz JIABDMDIABWVLA-JQWIXIFHSA-N 2 0 238.400 2.453 10 0 BEAERP CCN(c1cc[nH+]c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071314160 643124884 /nfs/dbraw/zinc/12/48/84/643124884.db2.gz LOOVBXWAASLNGP-GFCCVEGCSA-N 2 0 241.338 2.423 10 0 BEAERP C[C@H]1CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)N1 ZINC000757149116 643332206 /nfs/dbraw/zinc/33/22/06/643332206.db2.gz PPVQTWOTNOUAIH-JTQLQIEISA-N 2 0 226.364 2.022 10 0 BEAERP Cc1cccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000074204364 643654919 /nfs/dbraw/zinc/65/49/19/643654919.db2.gz LVJRACXGEULFOF-QWHCGFSZSA-N 2 0 204.317 2.089 10 0 BEAERP C[N@H+](CCc1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000086441809 644137284 /nfs/dbraw/zinc/13/72/84/644137284.db2.gz AFKDGIUYCIZNMM-LBPRGKRZSA-N 2 0 238.400 2.365 10 0 BEAERP CC(F)(F)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000718574237 711661249 /nfs/dbraw/zinc/66/12/49/711661249.db2.gz YYWKZCDTFGPJFE-DCAQKATOSA-N 2 0 232.318 2.091 10 0 BEAERP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000720898632 712874859 /nfs/dbraw/zinc/87/48/59/712874859.db2.gz CITQPTSXGDSBIQ-UWVGGRQHSA-N 2 0 232.318 2.009 10 0 BEAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000724034003 710736729 /nfs/dbraw/zinc/73/67/29/710736729.db2.gz NJXZCTSLPYJDLV-QWHCGFSZSA-N 2 0 233.359 2.058 10 0 BEAERP C[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1C[NH3+] ZINC000133086848 710968186 /nfs/dbraw/zinc/96/81/86/710968186.db2.gz PZPJIZOQRIANKW-WCQYABFASA-N 2 0 210.365 2.093 10 0 BEAERP Cc1cnc(C[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000724022517 711557006 /nfs/dbraw/zinc/55/70/06/711557006.db2.gz JSYUSMDHPIVDSU-UHFFFAOYSA-N 2 0 247.386 2.130 10 0 BEAERP CC(C)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709867365 712229817 /nfs/dbraw/zinc/22/98/17/712229817.db2.gz JCTKZZCBSQGKTR-CHWSQXEVSA-N 2 0 210.365 2.106 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000710765679 712256657 /nfs/dbraw/zinc/25/66/57/712256657.db2.gz SCUGPKOVDFPJBL-MBNYWOFBSA-N 2 0 242.407 2.107 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000711053689 712277526 /nfs/dbraw/zinc/27/75/26/712277526.db2.gz WHARJRUXWAUHHY-ZDEQEGDKSA-N 2 0 242.432 2.248 10 0 BEAERP C[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C(C)(C)C ZINC000711184780 712288297 /nfs/dbraw/zinc/28/82/97/712288297.db2.gz RDTGCTZAKNKXCZ-ZBOXLXRLSA-N 2 0 210.365 2.092 10 0 BEAERP C1[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000712370841 712428117 /nfs/dbraw/zinc/42/81/17/712428117.db2.gz AJHUCJPJSAXRBJ-XDQVBPFNSA-N 2 0 222.376 2.297 10 0 BEAERP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000712630219 712439373 /nfs/dbraw/zinc/43/93/73/712439373.db2.gz MLDCSOGXJVKKTQ-RZFFKMDDSA-N 2 0 236.403 2.400 10 0 BEAERP [NH3+]C1CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000712729441 712448678 /nfs/dbraw/zinc/44/86/78/712448678.db2.gz BRGCIESKEWYVPC-RYSNWHEDSA-N 2 0 222.376 2.282 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCSC2)CC1 ZINC000714753974 712498013 /nfs/dbraw/zinc/49/80/13/712498013.db2.gz OFQPXMNSCDNBGT-LLVKDONJSA-N 2 0 228.405 2.085 10 0 BEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000716544817 712567548 /nfs/dbraw/zinc/56/75/48/712567548.db2.gz IHWHUQJJWQZXSN-QDBBEMFVSA-N 2 0 222.376 2.138 10 0 BEAERP [NH3+]C1CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000717067991 712627432 /nfs/dbraw/zinc/62/74/32/712627432.db2.gz OMEPDRFBQLLRET-LFSIAQGGSA-N 2 0 222.376 2.282 10 0 BEAERP CC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000037478635 712647802 /nfs/dbraw/zinc/64/78/02/712647802.db2.gz YSDMFQMZNNZPHB-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP COCC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000718769898 712781837 /nfs/dbraw/zinc/78/18/37/712781837.db2.gz RFCIVGOHZJXSBX-OLZOCXBDSA-N 2 0 242.407 2.027 10 0 BEAERP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]cc1 ZINC000041677511 1168425547 /nfs/dbraw/zinc/42/55/47/1168425547.db2.gz SIWLFDHNUFEHCU-NSHDSACASA-N 2 0 207.321 2.224 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685953108 538897362 /nfs/dbraw/zinc/89/73/62/538897362.db2.gz GBUWERBLNYSNPA-XQHKEYJVSA-N 2 0 210.365 2.234 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000378712575 346812667 /nfs/dbraw/zinc/81/26/67/346812667.db2.gz VDUPWUSEVQNAQH-RFQIPJPRSA-N 2 0 224.392 2.495 10 0 BEAERP Cc1[nH+]ccc(N[C@@H](C)C[C@H](C)[NH3+])c1Cl ZINC000379810879 398169721 /nfs/dbraw/zinc/16/97/21/398169721.db2.gz AEPHLPSTBXDPLD-YUMQZZPRSA-N 2 0 227.739 2.003 10 0 BEAERP C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000042437129 398172283 /nfs/dbraw/zinc/17/22/83/398172283.db2.gz NYUXHEWHGVFCSV-ZDUSSCGKSA-N 2 0 236.334 2.257 10 0 BEAERP Cc1cc([C@@H](C)[NH3+])ccc1OCCC[NH+](C)C ZINC000041271954 178220990 /nfs/dbraw/zinc/22/09/90/178220990.db2.gz HRUIAHNMKKBPGD-GFCCVEGCSA-N 2 0 236.359 2.345 10 0 BEAERP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336779761 398248804 /nfs/dbraw/zinc/24/88/04/398248804.db2.gz PMSYJKZCPHBUEG-STQMWFEESA-N 2 0 230.371 2.446 10 0 BEAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336779758 398249156 /nfs/dbraw/zinc/24/91/56/398249156.db2.gz PMSYJKZCPHBUEG-CHWSQXEVSA-N 2 0 230.371 2.446 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381623629 398254830 /nfs/dbraw/zinc/25/48/30/398254830.db2.gz SUDJKLNVDHTOSJ-GRYCIOLGSA-N 2 0 246.345 2.481 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381596803 398265756 /nfs/dbraw/zinc/26/57/56/398265756.db2.gz FPLNFIPFJYBLPA-RYUDHWBXSA-N 2 0 246.345 2.353 10 0 BEAERP CCC(CC)[N@H+](CCOC)C[C@](C)([NH3+])C1CC1 ZINC000042681724 168373480 /nfs/dbraw/zinc/37/34/80/168373480.db2.gz DMOHAHYJUPOVKN-AWEZNQCLSA-N 2 0 242.407 2.251 10 0 BEAERP CCC(CC)N(CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042681739 168374205 /nfs/dbraw/zinc/37/42/05/168374205.db2.gz DWPSREOWJNOSME-ZDUSSCGKSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@H]1CN(C/C(C)=C\Cl)CCC[NH2+]1 ZINC000308461114 342814836 /nfs/dbraw/zinc/81/48/36/342814836.db2.gz WKZPJBXXRPRCBH-BRNRAETOSA-N 2 0 216.756 2.203 10 0 BEAERP CCN1C[C@@H](C)[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648788 539006167 /nfs/dbraw/zinc/00/61/67/539006167.db2.gz CMJPDNRANLASLN-RYSNWHEDSA-N 2 0 224.392 2.351 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000108323150 539027651 /nfs/dbraw/zinc/02/76/51/539027651.db2.gz NKGDPTOUTPIVSK-FRRDWIJNSA-N 2 0 210.365 2.378 10 0 BEAERP C/C(=C/Cl)C[N@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 ZINC000308471705 346875406 /nfs/dbraw/zinc/87/54/06/346875406.db2.gz IZPRHUSWZDKHAP-RJAQEEFZSA-N 2 0 216.756 2.046 10 0 BEAERP C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211941897 343017300 /nfs/dbraw/zinc/01/73/00/343017300.db2.gz VXNXCXPREGVHLD-LBPRGKRZSA-N 2 0 230.355 2.174 10 0 BEAERP CCN1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000038098038 343063614 /nfs/dbraw/zinc/06/36/14/343063614.db2.gz AKNPVAMWWKDNGJ-NSHDSACASA-N 2 0 210.365 2.249 10 0 BEAERP C/C=C/C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917824 187254387 /nfs/dbraw/zinc/25/43/87/187254387.db2.gz UGSKWHCCZUCHPV-IVPXFZNXSA-N 2 0 208.349 2.027 10 0 BEAERP CCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036907538 343327537 /nfs/dbraw/zinc/32/75/37/343327537.db2.gz YUXAOOKQNMXUKB-XQQFMLRXSA-N 2 0 212.381 2.495 10 0 BEAERP CC(C)[C@H](C)[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036787472 187258568 /nfs/dbraw/zinc/25/85/68/187258568.db2.gz SPNYVQCHSNVESY-NSHDSACASA-N 2 0 233.359 2.447 10 0 BEAERP CC(C)C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000379976769 365772474 /nfs/dbraw/zinc/77/24/74/365772474.db2.gz QVVKZSJKZKVOIC-FRRDWIJNSA-N 2 0 212.381 2.338 10 0 BEAERP C[C@@H]([NH3+])c1ccccc1N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053245585 187271134 /nfs/dbraw/zinc/27/11/34/187271134.db2.gz ZDOPDCRIMQLOIT-CHWSQXEVSA-N 2 0 247.386 2.237 10 0 BEAERP [NH3+]Cc1ccccc1COCC[NH+]1CCCCC1 ZINC000052670907 187271408 /nfs/dbraw/zinc/27/14/08/187271408.db2.gz DOFZFOJXPYXKKL-UHFFFAOYSA-N 2 0 248.370 2.148 10 0 BEAERP C[C@H]1CCC[C@H](C)[NH+]1CCC[NH2+]C1CC1 ZINC000037478528 537820040 /nfs/dbraw/zinc/82/00/40/537820040.db2.gz XBYIFMKFUHTDTK-RYUDHWBXSA-N 2 0 210.365 2.391 10 0 BEAERP CC([Si](C)(C)[NH+](C)C)[Si](C)(C)[NH+](C)C ZINC000215643127 349905273 /nfs/dbraw/zinc/90/52/73/349905273.db2.gz JDKKTNLUGVTLER-UHFFFAOYSA-N 2 0 232.520 2.449 10 0 BEAERP C[C@H]([NH2+]CCCCC[NH3+])c1ccccc1 ZINC000238439918 344471747 /nfs/dbraw/zinc/47/17/47/344471747.db2.gz DUCDZOYSBMAMGG-LBPRGKRZSA-N 2 0 206.333 2.466 10 0 BEAERP C[NH2+]Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000016942920 530005081 /nfs/dbraw/zinc/00/50/81/530005081.db2.gz ZNAYRBVRXOOCOH-UHFFFAOYSA-N 2 0 224.373 2.453 10 0 BEAERP Cc1ccc(F)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998069 345197032 /nfs/dbraw/zinc/19/70/32/345197032.db2.gz AHFLQVFFPQKLAF-AAEUAGOBSA-N 2 0 236.334 2.161 10 0 BEAERP CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999900 345202036 /nfs/dbraw/zinc/20/20/36/345202036.db2.gz BWSUAAWMLIYNOP-JSGCOSHPSA-N 2 0 248.370 2.112 10 0 BEAERP CCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000635019658 345223015 /nfs/dbraw/zinc/22/30/15/345223015.db2.gz JDJCXJYRYHPLRT-NWDGAFQWSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@@H](c1ccco1)N1CCCC[C@H]1C[NH3+] ZINC000251234160 345490420 /nfs/dbraw/zinc/49/04/20/345490420.db2.gz CQYOUXHDTANJDL-QWRGUYRKSA-N 2 0 208.305 2.154 10 0 BEAERP C[C@H]1CCCn2cc(C3CC[NH2+]CC3)nc21 ZINC000258106294 345779868 /nfs/dbraw/zinc/77/98/68/345779868.db2.gz CAHKJVONULZMSY-JTQLQIEISA-N 2 0 219.332 2.247 10 0 BEAERP C[N@@H+]1CCC[C@@H](C[NH2+]C2(C)CCCC2)C1 ZINC000054243539 187317729 /nfs/dbraw/zinc/31/77/29/187317729.db2.gz MZUKKEXMKBFVCU-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP Cc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000040719712 179089365 /nfs/dbraw/zinc/08/93/65/179089365.db2.gz LAYOMLHSGZYUTQ-UHFFFAOYSA-N 2 0 218.344 2.084 10 0 BEAERP CC(C)[N@H+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380449 537989344 /nfs/dbraw/zinc/98/93/44/537989344.db2.gz ZPNWJHYBSWKECD-UHFFFAOYSA-N 2 0 228.286 2.264 10 0 BEAERP C[NH2+][C@H](CC[C@H]([NH2+]C)C(C)C)C(C)C ZINC000616568431 347446692 /nfs/dbraw/zinc/44/66/92/347446692.db2.gz AHSRPQKRSBVPLB-TXEJJXNPSA-N 2 0 200.370 2.255 10 0 BEAERP Cc1ccccc1C[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C ZINC000104213308 179270746 /nfs/dbraw/zinc/27/07/46/179270746.db2.gz SSVDUVPVOMMYDF-DZGCQCFKSA-N 2 0 232.371 2.282 10 0 BEAERP Cc1ccccc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC000062609129 179274024 /nfs/dbraw/zinc/27/40/24/179274024.db2.gz VTYJGUZRDCWZLM-ZDUSSCGKSA-N 2 0 218.344 2.179 10 0 BEAERP Cc1cccnc1C[N@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 ZINC000071345083 179376925 /nfs/dbraw/zinc/37/69/25/179376925.db2.gz KSHXTMXWOINATJ-GXTWGEPZSA-N 2 0 247.386 2.210 10 0 BEAERP Cc1[nH+]ccc(NCC[C@@H](C)[NH3+])c1Cl ZINC000306207765 180199345 /nfs/dbraw/zinc/19/93/45/180199345.db2.gz DEYONSJOQYGLGQ-SSDOTTSWSA-N 2 0 213.712 2.193 10 0 BEAERP Cc1[nH+]ccc(NC[C@@H]([NH3+])C(C)C)c1Cl ZINC000308869175 180200661 /nfs/dbraw/zinc/20/06/61/180200661.db2.gz RSNSODFKBZLZRW-SECBINFHSA-N 2 0 227.739 2.439 10 0 BEAERP CC1CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000108323296 538075993 /nfs/dbraw/zinc/07/59/93/538075993.db2.gz JZNNASHMJISQAR-OLZOCXBDSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000108323292 538076166 /nfs/dbraw/zinc/07/61/66/538076166.db2.gz JZNNASHMJISQAR-CHWSQXEVSA-N 2 0 210.365 2.236 10 0 BEAERP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCC[NH2+]2)C1 ZINC000039101442 350331603 /nfs/dbraw/zinc/33/16/03/350331603.db2.gz SJSOQIPWFQABOH-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP CC(C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911930 350562725 /nfs/dbraw/zinc/56/27/25/350562725.db2.gz GGVUQWWZOPBDOX-ZDUSSCGKSA-N 2 0 210.365 2.106 10 0 BEAERP CC(C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000062911948 350562736 /nfs/dbraw/zinc/56/27/36/350562736.db2.gz JYYIIHAECUSKEI-ZDUSSCGKSA-N 2 0 212.381 2.352 10 0 BEAERP CC(C)C[N@H+](C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000062911947 350562925 /nfs/dbraw/zinc/56/29/25/350562925.db2.gz JYYIIHAECUSKEI-CYBMUJFWSA-N 2 0 212.381 2.352 10 0 BEAERP [NH3+]CCN1CCCC[C@H](c2ccccc2F)C1 ZINC000616603832 350795848 /nfs/dbraw/zinc/79/58/48/350795848.db2.gz ISKBUJNVVLBTIG-LBPRGKRZSA-N 2 0 236.334 2.354 10 0 BEAERP Cc1ccc(Cl)c([C@@H](N)CC[NH3+])c1F ZINC000306698720 350847973 /nfs/dbraw/zinc/84/79/73/350847973.db2.gz DEWMZBFXIZMDNQ-QMMMGPOBSA-N 2 0 216.687 2.136 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250566233 350882249 /nfs/dbraw/zinc/88/22/49/350882249.db2.gz DGYQZTOEKOLBBM-KOLCDFICSA-N 2 0 210.346 2.090 10 0 BEAERP C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306824528 351131922 /nfs/dbraw/zinc/13/19/22/351131922.db2.gz USAALUUCCKLXMC-LSDHHAIUSA-N 2 0 230.355 2.070 10 0 BEAERP C[C@@H]1CCC[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725270479 538102162 /nfs/dbraw/zinc/10/21/62/538102162.db2.gz OJXCWMMYSHDLCO-NELGMTEASA-N 2 0 222.376 2.378 10 0 BEAERP CC(C)([NH2+]Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000038587388 363179822 /nfs/dbraw/zinc/17/98/22/363179822.db2.gz LPDLTLBVGLFEMJ-ZDUSSCGKSA-N 2 0 218.344 2.164 10 0 BEAERP CC[NH2+]CC1(C[NH3+])CC(c2ccccc2)C1 ZINC000725273711 538104709 /nfs/dbraw/zinc/10/47/09/538104709.db2.gz XCSZUUDPEFNQHA-UHFFFAOYSA-N 2 0 218.344 2.119 10 0 BEAERP C/C=C/C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000307433442 353076806 /nfs/dbraw/zinc/07/68/06/353076806.db2.gz NZDIURAFJNIMEO-FAAWYNLUSA-N 2 0 230.355 2.427 10 0 BEAERP CC(C)[N@H+](C)CCCCNC(=[NH2+])NC(C)(C)C ZINC000052044108 188299500 /nfs/dbraw/zinc/29/95/00/188299500.db2.gz VOVQHPZLMFZSKF-UHFFFAOYSA-N 2 0 242.411 2.019 10 0 BEAERP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070199452 188304532 /nfs/dbraw/zinc/30/45/32/188304532.db2.gz GZPCMLPHWOEBGV-GXTWGEPZSA-N 2 0 248.370 2.254 10 0 BEAERP c1ccc2c(c1)CN(C[C@H]1CCCC[NH2+]1)C=[NH+]2 ZINC000095079122 188319281 /nfs/dbraw/zinc/31/92/81/188319281.db2.gz ZNMJJWQTBFPGBT-CYBMUJFWSA-N 2 0 229.327 2.304 10 0 BEAERP CC(=[NH2+])N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000405968871 355461198 /nfs/dbraw/zinc/46/11/98/355461198.db2.gz SXJRTVFGBFCCCF-CQSZACIVSA-N 2 0 231.343 2.238 10 0 BEAERP CC(C)[NH2+]C[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050919 538473238 /nfs/dbraw/zinc/47/32/38/538473238.db2.gz ALZNMCSUTJWXQE-KGLIPLIRSA-N 2 0 224.392 2.400 10 0 BEAERP C([NH2+]C1CC1)[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051646 538475417 /nfs/dbraw/zinc/47/54/17/538475417.db2.gz WEMYRRVHYCEVBU-OCCSQVGLSA-N 2 0 222.376 2.154 10 0 BEAERP CCC1CC[NH+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000685950573 538894063 /nfs/dbraw/zinc/89/40/63/538894063.db2.gz BFSFYMSQRNZHGV-RYUDHWBXSA-N 2 0 224.392 2.352 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCCC1(C)C ZINC000685951372 538894814 /nfs/dbraw/zinc/89/48/14/538894814.db2.gz RMTLHLBEAMRCFX-GHMZBOCLSA-N 2 0 210.365 2.105 10 0 BEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccs1 ZINC000234742034 357835013 /nfs/dbraw/zinc/83/50/13/357835013.db2.gz QAQFKQIVAZZXHP-WDEREUQCSA-N 2 0 242.388 2.153 10 0 BEAERP C[C@H]([N@H+](C)C[C@@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000219863053 358015065 /nfs/dbraw/zinc/01/50/65/358015065.db2.gz VHKPDJACYGASJG-AAEUAGOBSA-N 2 0 212.381 2.352 10 0 BEAERP FC(F)(F)CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168778135 134247993 /nfs/dbraw/zinc/24/79/93/134247993.db2.gz JTRNGXPKJGDGSU-SECBINFHSA-N 2 0 224.270 2.061 10 0 BEAERP C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000584833978 358197355 /nfs/dbraw/zinc/19/73/55/358197355.db2.gz BCYZPULDEVOPCB-WCQYABFASA-N 2 0 238.400 2.268 10 0 BEAERP C[NH+](C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000218951193 134268985 /nfs/dbraw/zinc/26/89/85/134268985.db2.gz KBTWUDRZFDXDHA-HZSPNIEDSA-N 2 0 222.376 2.415 10 0 BEAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400492594 358965216 /nfs/dbraw/zinc/96/52/16/358965216.db2.gz ZVEDUZYXVXFNOL-NWDGAFQWSA-N 2 0 210.365 2.154 10 0 BEAERP COCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578738380 366635348 /nfs/dbraw/zinc/63/53/48/366635348.db2.gz OULGVVMDYGVDLW-QWHCGFSZSA-N 2 0 242.407 2.027 10 0 BEAERP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)OCC ZINC000629515046 361112341 /nfs/dbraw/zinc/11/23/41/361112341.db2.gz PUXIVXGGIWHSRQ-BFHYXJOUSA-N 2 0 242.407 2.169 10 0 BEAERP [NH3+]C1(C[N@@H+]2CCCSCC2)CCCCC1 ZINC000042444938 181330769 /nfs/dbraw/zinc/33/07/69/181330769.db2.gz SWUXHTPTXHCVHL-UHFFFAOYSA-N 2 0 228.405 2.087 10 0 BEAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCC12CC2 ZINC000629553925 361439595 /nfs/dbraw/zinc/43/95/95/361439595.db2.gz DSWCCZXQIILQSW-STQMWFEESA-N 2 0 222.376 2.298 10 0 BEAERP [NH3+]C1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000051692845 181341858 /nfs/dbraw/zinc/34/18/58/181341858.db2.gz GMCDWRKYHXGSCQ-UHFFFAOYSA-N 2 0 228.723 2.293 10 0 BEAERP [NH3+]C1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000231940396 181341747 /nfs/dbraw/zinc/34/17/47/181341747.db2.gz UPQKDBIARDVPBE-UHFFFAOYSA-N 2 0 242.310 2.099 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000051693886 181342367 /nfs/dbraw/zinc/34/23/67/181342367.db2.gz UWKRIOVLLJGQGW-QIMFLAQGSA-N 2 0 246.354 2.239 10 0 BEAERP [NH3+]C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000011729476 181343898 /nfs/dbraw/zinc/34/38/98/181343898.db2.gz YAXXRTUKMXWTFK-UHFFFAOYSA-N 2 0 238.762 2.306 10 0 BEAERP Cc1cc(C)cc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000074081415 541313009 /nfs/dbraw/zinc/31/30/09/541313009.db2.gz IOSQOEUPJUENIE-ZIAGYGMSSA-N 2 0 218.344 2.397 10 0 BEAERP CC(C)CC[NH2+][C@]12CC[NH2+][C@H]1CCCC2 ZINC000725272957 541340488 /nfs/dbraw/zinc/34/04/88/541340488.db2.gz WDTFMLGJSGKQSU-QWHCGFSZSA-N 2 0 210.365 2.297 10 0 BEAERP [NH3+]CC1(C[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000058082626 181358623 /nfs/dbraw/zinc/35/86/23/181358623.db2.gz OGYTWZJCPLTDJC-UHFFFAOYSA-N 2 0 230.355 2.174 10 0 BEAERP Cc1c[nH+]ccc1N1CCCCC[C@@H]([NH3+])C1 ZINC000630548316 364245069 /nfs/dbraw/zinc/24/50/69/364245069.db2.gz CRTIRSPRHYCCBG-GFCCVEGCSA-N 2 0 219.332 2.098 10 0 BEAERP Cc1c[nH+]ccc1N1CCCCC[C@H]([NH3+])C1 ZINC000630548317 364245353 /nfs/dbraw/zinc/24/53/53/364245353.db2.gz CRTIRSPRHYCCBG-LBPRGKRZSA-N 2 0 219.332 2.098 10 0 BEAERP [NH3+]CC1(N2CCc3sccc3C2)CCCC1 ZINC000019433774 181359915 /nfs/dbraw/zinc/35/99/15/181359915.db2.gz MTHNUOYJYUNEBN-UHFFFAOYSA-N 2 0 236.384 2.378 10 0 BEAERP Cc1[nH+]ccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1Cl ZINC000630533138 364224253 /nfs/dbraw/zinc/22/42/53/364224253.db2.gz NMHXUVXKQFIGKF-PSASIEDQSA-N 2 0 239.750 2.018 10 0 BEAERP [NH3+]CCCCC[N@@H+]1CCOc2ccccc2C1 ZINC000063012412 181375327 /nfs/dbraw/zinc/37/53/27/181375327.db2.gz DIHWQVQRESCMAO-UHFFFAOYSA-N 2 0 234.343 2.010 10 0 BEAERP [NH3+]CCCCCCCCCC[NH2+]CCC[NH3+] ZINC000013818271 181375503 /nfs/dbraw/zinc/37/55/03/181375503.db2.gz ZLXQTPFBWNCSHE-UHFFFAOYSA-N 3 0 229.412 2.004 10 0 BEAERP [NH3+]CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000037713645 181382260 /nfs/dbraw/zinc/38/22/60/181382260.db2.gz LYPSZXIBXPYAQF-UHFFFAOYSA-N 2 0 222.307 2.010 10 0 BEAERP [NH3+]CCN(Cc1ccccc1)c1cc[nH+]cc1 ZINC000038033130 181391107 /nfs/dbraw/zinc/39/11/07/181391107.db2.gz MUPDDYPISZQLSW-UHFFFAOYSA-N 2 0 227.311 2.047 10 0 BEAERP [NH3+]CCSC(SCC[NH3+])c1ccccc1 ZINC000003617207 181401899 /nfs/dbraw/zinc/40/18/99/181401899.db2.gz ADHTVJSHWYFKCY-UHFFFAOYSA-N 2 0 242.413 2.069 10 0 BEAERP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000385791921 367864744 /nfs/dbraw/zinc/86/47/44/367864744.db2.gz FBDSLQWBBPUZTJ-IKWCTNDRSA-N 2 0 210.365 2.281 10 0 BEAERP [NH3+][C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000101467046 368383732 /nfs/dbraw/zinc/38/37/32/368383732.db2.gz XSLBNUDXCRSMOS-HUUCEWRRSA-N 2 0 230.355 2.390 10 0 BEAERP CSCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566908980 326092930 /nfs/dbraw/zinc/09/29/30/326092930.db2.gz RSTQICKOBVTMNR-RYUDHWBXSA-N 2 0 230.421 2.107 10 0 BEAERP Cc1ccc(F)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837389 369093839 /nfs/dbraw/zinc/09/38/39/369093839.db2.gz BADIHTYRQLVLSP-YPMHNXCESA-N 2 0 236.334 2.161 10 0 BEAERP C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843097 369373195 /nfs/dbraw/zinc/37/31/95/369373195.db2.gz JGCWODWIDVAGJA-HIFRSBDPSA-N 2 0 232.371 2.146 10 0 BEAERP C/C=C/C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027873 371637331 /nfs/dbraw/zinc/63/73/31/371637331.db2.gz IMOHZXLWSBQEII-NSCUHMNNSA-N 2 0 218.344 2.414 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000631837648 372628827 /nfs/dbraw/zinc/62/88/27/372628827.db2.gz DMPVVFJVZVNNRC-ZFWWWQNUSA-N 2 0 232.371 2.330 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631840133 372636545 /nfs/dbraw/zinc/63/65/45/372636545.db2.gz PWIAYWFXDQKFHQ-DYEKYZERSA-N 2 0 248.370 2.283 10 0 BEAERP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841635 372637868 /nfs/dbraw/zinc/63/78/68/372637868.db2.gz NKARUANFGWFBQI-UTUOFQBUSA-N 2 0 236.334 2.413 10 0 BEAERP CC[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069797150 373807863 /nfs/dbraw/zinc/80/78/63/373807863.db2.gz NELRLMCURWMTCL-MWLCHTKSSA-N 2 0 210.346 2.090 10 0 BEAERP CCC[N@H+]([C@@H](C)COC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000053199477 169091726 /nfs/dbraw/zinc/09/17/26/169091726.db2.gz ISAJNQVYKCGEMD-ICIURTGMSA-N 2 0 240.391 2.016 10 0 BEAERP CCC[N@H+](CC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267629 169129463 /nfs/dbraw/zinc/12/94/63/169129463.db2.gz IVCUNNJKVIYQKT-UHFFFAOYSA-N 2 0 237.322 2.342 10 0 BEAERP CCC[N@H+](CCO)C[C@](C)(CC)C[NH2+]C(C)C ZINC000051252812 169165624 /nfs/dbraw/zinc/16/56/24/169165624.db2.gz NRXOLQQEJJSSRR-CQSZACIVSA-N 2 0 244.423 2.105 10 0 BEAERP CCC[N@H+](Cc1occc1C[NH2+]C)C1CC1 ZINC000052448921 169181362 /nfs/dbraw/zinc/18/13/62/169181362.db2.gz VFFBGPHRYZLYCO-UHFFFAOYSA-N 2 0 222.332 2.373 10 0 BEAERP CCC[NH+]1CCC(C[NH2+][C@@H](CC)COC)CC1 ZINC000122797223 169187178 /nfs/dbraw/zinc/18/71/78/169187178.db2.gz QXFWJEJWLSAEHG-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)COC)CC1 ZINC000037209116 169191368 /nfs/dbraw/zinc/19/13/68/169191368.db2.gz KNVGQVIRODXDAI-OLZOCXBDSA-N 2 0 242.407 2.121 10 0 BEAERP CCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062615877 169194320 /nfs/dbraw/zinc/19/43/20/169194320.db2.gz AFNUPNDIYASCSJ-HNNXBMFYSA-N 2 0 232.371 2.303 10 0 BEAERP CCC[NH2+]CCCCC[N@@H+]1CCOCC1(C)C ZINC000052546169 169256486 /nfs/dbraw/zinc/25/64/86/169256486.db2.gz OMLBQZHOLWYEHW-UHFFFAOYSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476610 169258601 /nfs/dbraw/zinc/25/86/01/169258601.db2.gz RXLHNXSIERXFET-IHRRRGAJSA-N 2 0 242.407 2.264 10 0 BEAERP CCC[NH2+][C@H](C)CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000061916990 169286519 /nfs/dbraw/zinc/28/65/19/169286519.db2.gz BOJCPVRUSNBINX-ZIAGYGMSSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+]C[C@H](OCC[NH+]1CCCC1)C(C)C ZINC000052670009 169264476 /nfs/dbraw/zinc/26/44/76/169264476.db2.gz CSCROISNUHZEGV-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+]Cc1cc(C[N@H+](CC)C(C)C)on1 ZINC000052446779 169265873 /nfs/dbraw/zinc/26/58/73/169265873.db2.gz SMGDKDPBXVTKSL-UHFFFAOYSA-N 2 0 239.363 2.405 10 0 BEAERP CC[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)CCC[NH2+]1 ZINC000049662747 171014218 /nfs/dbraw/zinc/01/42/18/171014218.db2.gz ZAOHQEDBLJACCZ-QWHCGFSZSA-N 2 0 212.381 2.495 10 0 BEAERP Cc1[nH+]ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000335583467 384348182 /nfs/dbraw/zinc/34/81/82/384348182.db2.gz ZCMFVEXFERTFNQ-NXEZZACHSA-N 2 0 239.750 2.005 10 0 BEAERP C[NH+](C)CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095074237 384349803 /nfs/dbraw/zinc/34/98/03/384349803.db2.gz QZSJRXMQIBBGSH-OAHLLOKOSA-N 2 0 232.371 2.460 10 0 BEAERP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000560966889 384430311 /nfs/dbraw/zinc/43/03/11/384430311.db2.gz XZASZKUNQJKKJF-VXGBXAGGSA-N 2 0 238.400 2.268 10 0 BEAERP C[C@H]([NH2+]CCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000560966883 384430526 /nfs/dbraw/zinc/43/05/26/384430526.db2.gz XZASZKUNQJKKJF-RYUDHWBXSA-N 2 0 238.400 2.268 10 0 BEAERP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335661253 384465037 /nfs/dbraw/zinc/46/50/37/384465037.db2.gz FUDIYVZUMPXCEA-GHMZBOCLSA-N 2 0 232.318 2.154 10 0 BEAERP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335664490 384479502 /nfs/dbraw/zinc/47/95/02/384479502.db2.gz SMIIFNUXOWEHGN-SNVBAGLBSA-N 2 0 232.318 2.154 10 0 BEAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713305 384510282 /nfs/dbraw/zinc/51/02/82/384510282.db2.gz SRGFUTIANPWYLV-GFCCVEGCSA-N 2 0 206.333 2.303 10 0 BEAERP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000335664890 384836882 /nfs/dbraw/zinc/83/68/82/384836882.db2.gz XMDDTJCIVAROGX-NSHDSACASA-N 2 0 210.365 2.106 10 0 BEAERP Cc1cc(C)c(C[NH2+]CC[C@@H](C)[NH3+])cc1C ZINC000258681938 384932585 /nfs/dbraw/zinc/93/25/85/384932585.db2.gz DUWDYLQHFCXDRG-CYBMUJFWSA-N 2 0 220.360 2.439 10 0 BEAERP Cc1c[nH+]c(C2CC2)n1CC1CC[NH2+]CC1 ZINC000169676756 385416717 /nfs/dbraw/zinc/41/67/17/385416717.db2.gz PYFPFHIUUDSYBV-UHFFFAOYSA-N 2 0 219.332 2.069 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]12 ZINC000310379387 386181012 /nfs/dbraw/zinc/18/10/12/386181012.db2.gz GOOYSOJBRVWXMT-IRCOFANPSA-N 2 0 244.329 2.091 10 0 BEAERP Cc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062911009 386532577 /nfs/dbraw/zinc/53/25/77/386532577.db2.gz IQVYDUXUHXYXJD-OAHLLOKOSA-N 2 0 232.371 2.426 10 0 BEAERP Cc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1C ZINC000398372024 386818640 /nfs/dbraw/zinc/81/86/40/386818640.db2.gz QQGXDMJYUZCLJI-ZDUSSCGKSA-N 2 0 218.344 2.003 10 0 BEAERP C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000514660627 387050577 /nfs/dbraw/zinc/05/05/77/387050577.db2.gz YVYFAYPVOYARHI-ZFWWWQNUSA-N 2 0 232.371 2.207 10 0 BEAERP Nc1ccc(Cl)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575438643 387131067 /nfs/dbraw/zinc/13/10/67/387131067.db2.gz MPFDBTXTGLHVFJ-SNVBAGLBSA-N 2 0 227.739 2.051 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)cc(Cl)cc1F ZINC000575438201 387109940 /nfs/dbraw/zinc/10/99/40/387109940.db2.gz DUSSQCJOVVSHOV-VIFPVBQESA-N 2 0 234.677 2.357 10 0 BEAERP COc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1C ZINC000575437888 387113376 /nfs/dbraw/zinc/11/33/76/387113376.db2.gz BCFZLVUXQQLMNR-LBPRGKRZSA-N 2 0 222.332 2.132 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000575439180 387120870 /nfs/dbraw/zinc/12/08/70/387120870.db2.gz QFGNADKOEYJWJK-JTQLQIEISA-N 2 0 232.249 2.444 10 0 BEAERP Cc1cc(C)cc([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575438929 387121958 /nfs/dbraw/zinc/12/19/58/387121958.db2.gz GZGSTFYQLNYIKU-CYBMUJFWSA-N 2 0 206.333 2.432 10 0 BEAERP Cc1cc([C@@H]([NH3+])CCC[NH3+])ccc1Cl ZINC000575439030 387122024 /nfs/dbraw/zinc/12/20/24/387122024.db2.gz OMPSKEWGYVDOHG-NSHDSACASA-N 2 0 212.724 2.387 10 0 BEAERP Cc1cc(C)cc([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575439555 387123477 /nfs/dbraw/zinc/12/34/77/387123477.db2.gz GZGSTFYQLNYIKU-ZDUSSCGKSA-N 2 0 206.333 2.432 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000575439525 387123953 /nfs/dbraw/zinc/12/39/53/387123953.db2.gz DJSIGKWRXANNOY-NSHDSACASA-N 2 0 214.259 2.094 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)ccc(F)c1F ZINC000575439885 387126130 /nfs/dbraw/zinc/12/61/30/387126130.db2.gz NSAHALGRALHWJJ-SECBINFHSA-N 2 0 232.249 2.233 10 0 BEAERP Cc1ccc(F)c([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575440235 387127975 /nfs/dbraw/zinc/12/79/75/387127975.db2.gz WLPWCVVLLLFJFA-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423308061 387142944 /nfs/dbraw/zinc/14/29/44/387142944.db2.gz XGKTYCKNCIMQRM-QWHCGFSZSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]1C[N@@H+]([C@H](C2CC2)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000423520338 387352807 /nfs/dbraw/zinc/35/28/07/387352807.db2.gz JWZCQNUYCGDXFR-BYCMXARLSA-N 2 0 236.403 2.482 10 0 BEAERP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000396897895 387509647 /nfs/dbraw/zinc/50/96/47/387509647.db2.gz AISHFZSFLKIGMW-UWVGGRQHSA-N 2 0 238.297 2.307 10 0 BEAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)CC(F)(F)F ZINC000396899522 387510022 /nfs/dbraw/zinc/51/00/22/387510022.db2.gz CCTSAPVYDDEKFC-XNWIYYODSA-N 2 0 238.297 2.434 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709923 387565821 /nfs/dbraw/zinc/56/58/21/387565821.db2.gz LWYNZBCPMQRCCK-GRYCIOLGSA-N 2 0 238.400 2.267 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422772460 387670654 /nfs/dbraw/zinc/67/06/54/387670654.db2.gz YRYWCQSPSMBYEQ-DTWKUNHWSA-N 2 0 210.346 2.007 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959890 387811898 /nfs/dbraw/zinc/81/18/98/387811898.db2.gz AGZIZEOOKNUDMS-VKYHIEHISA-N 2 0 208.349 2.048 10 0 BEAERP c1ccc(OCCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129225180 387766539 /nfs/dbraw/zinc/76/65/39/387766539.db2.gz PLMMLKLDBPUUQK-CQSZACIVSA-N 2 0 248.370 2.187 10 0 BEAERP FC1(F)CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423079657 387876135 /nfs/dbraw/zinc/87/61/35/387876135.db2.gz YOPWRCLNDUMCNI-GRYCIOLGSA-N 2 0 244.329 2.294 10 0 BEAERP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC[NH2+]C1 ZINC000423117567 387899196 /nfs/dbraw/zinc/89/91/96/387899196.db2.gz VYQQMJICQRDZGF-ZYHUDNBSSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400509560 387985354 /nfs/dbraw/zinc/98/53/54/387985354.db2.gz FDUFLECIJQYQFP-GARJFASQSA-N 2 0 232.318 2.009 10 0 BEAERP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423216051 387997814 /nfs/dbraw/zinc/99/78/14/387997814.db2.gz PJVHTHNBJIYANU-ZGVCCVRISA-N 2 0 208.349 2.048 10 0 BEAERP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000423216091 387998207 /nfs/dbraw/zinc/99/82/07/387998207.db2.gz PKABEXIWOZUITD-PIGZVRMJSA-N 2 0 222.376 2.438 10 0 BEAERP C1CC1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000423214149 387998217 /nfs/dbraw/zinc/99/82/17/387998217.db2.gz MDBLSPPEGMFZEX-IXXDHKBRSA-N 2 0 234.387 2.438 10 0 BEAERP CC[C@H]([NH3+])CNc1cc[nH+]c2ccccc12 ZINC000082579316 388037697 /nfs/dbraw/zinc/03/76/97/388037697.db2.gz JSDGHNXKMCZGGG-JTQLQIEISA-N 2 0 215.300 2.384 10 0 BEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423274867 388054358 /nfs/dbraw/zinc/05/43/58/388054358.db2.gz MQWAYNSTNBLOMJ-XQQFMLRXSA-N 2 0 222.376 2.426 10 0 BEAERP Cc1ccsc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400327499 388116676 /nfs/dbraw/zinc/11/66/76/388116676.db2.gz BVNSXMXETVDCOM-WDEREUQCSA-N 2 0 224.373 2.144 10 0 BEAERP CC[NH+](CC)Cc1ccc(CC[NH2+]C)cc1 ZINC000083022194 388139396 /nfs/dbraw/zinc/13/93/96/388139396.db2.gz NPWIRPJJKJMRBP-UHFFFAOYSA-N 2 0 220.360 2.290 10 0 BEAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646090153 388140301 /nfs/dbraw/zinc/14/03/01/388140301.db2.gz XGVGBIPVMITCNQ-REWJHTLYSA-N 2 0 222.376 2.249 10 0 BEAERP [NH3+]C[C@H](c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000015020671 388456002 /nfs/dbraw/zinc/45/60/02/388456002.db2.gz CLQOCVWWNBVYJO-ZYHUDNBSSA-N 2 0 224.735 2.134 10 0 BEAERP CC[C@H](C(C)C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393727006 388438765 /nfs/dbraw/zinc/43/87/65/388438765.db2.gz FQOAIKXUKFMWND-JHJVBQTASA-N 2 0 212.381 2.338 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)ccc(Cl)c1F ZINC000575438988 388625945 /nfs/dbraw/zinc/62/59/45/388625945.db2.gz PDRDBSONOJJXHE-QMMMGPOBSA-N 2 0 234.677 2.357 10 0 BEAERP C([NH2+][C@H]1CC[NH2+]C1)C(C1CCC1)C1CCC1 ZINC000530212073 388627368 /nfs/dbraw/zinc/62/73/68/388627368.db2.gz OGTXWUADSFCCET-ZDUSSCGKSA-N 2 0 222.376 2.154 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC2)[C@H](C)C1 ZINC000128678254 388784885 /nfs/dbraw/zinc/78/48/85/388784885.db2.gz XGTLWMFBTMPVOI-DGCLKSJQSA-N 2 0 210.365 2.059 10 0 BEAERP C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400323980 533357380 /nfs/dbraw/zinc/35/73/80/533357380.db2.gz BXMXHRVNXDWELE-NEPJUHHUSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000400468367 533329134 /nfs/dbraw/zinc/32/91/34/533329134.db2.gz UMKDXEXRUPYDLY-NVJMFIEZSA-N 2 0 248.414 2.399 10 0 BEAERP C[C@@H]1CCC[C@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219860693 134292197 /nfs/dbraw/zinc/29/21/97/134292197.db2.gz OIVQKZLRNVMPBW-RDBSUJKOSA-N 2 0 224.392 2.497 10 0 BEAERP C1CC1N1CCC[C@@H]2C[N@@H+](C3CCC3)CC[C@H]21 ZINC000179587046 134321944 /nfs/dbraw/zinc/32/19/44/134321944.db2.gz IJMIXASKKHRQSM-IUODEOHRSA-N 2 0 234.387 2.488 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000222735817 134333973 /nfs/dbraw/zinc/33/39/73/134333973.db2.gz IZRIMIVTZHQMCT-SDDRHHMPSA-N 2 0 212.381 2.493 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000222735682 134334093 /nfs/dbraw/zinc/33/40/93/134334093.db2.gz IZRIMIVTZHQMCT-QJPTWQEYSA-N 2 0 212.381 2.493 10 0 BEAERP CC(C)OCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000224997427 134352774 /nfs/dbraw/zinc/35/27/74/134352774.db2.gz IACBERXPFUZSDA-UHFFFAOYSA-N 2 0 228.380 2.051 10 0 BEAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000251797617 135077925 /nfs/dbraw/zinc/07/79/25/135077925.db2.gz XXZBJPDBUSNHMK-MGPQQGTHSA-N 2 0 224.392 2.497 10 0 BEAERP CC1(C)C[N@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000258899942 135135002 /nfs/dbraw/zinc/13/50/02/135135002.db2.gz UTYBLCUFIPRDGK-LLVKDONJSA-N 2 0 224.373 2.307 10 0 BEAERP Cc1ccc2[nH+]ccc(N[C@H](C)C[NH3+])c2c1 ZINC000257761429 135141681 /nfs/dbraw/zinc/14/16/81/135141681.db2.gz WNBMKRMMZYYGJD-SNVBAGLBSA-N 2 0 215.300 2.302 10 0 BEAERP CC1(C)C[N@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000259383211 135142711 /nfs/dbraw/zinc/14/27/11/135142711.db2.gz WHWSWGVRLHWJSG-AWEZNQCLSA-N 2 0 232.371 2.288 10 0 BEAERP CCCC[C@H](C[NH3+])Nc1cc[nH+]cc1C ZINC000087780126 135168156 /nfs/dbraw/zinc/16/81/56/135168156.db2.gz LYIIYRVMQOIASI-LLVKDONJSA-N 2 0 207.321 2.319 10 0 BEAERP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538254 135175631 /nfs/dbraw/zinc/17/56/31/135175631.db2.gz UNHYWDSVERHZFX-NEPJUHHUSA-N 2 0 246.345 2.483 10 0 BEAERP CC(C)[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000081043715 135385993 /nfs/dbraw/zinc/38/59/93/135385993.db2.gz YKDGTGNGDJSAKS-FUDCBSFHSA-N 2 0 224.392 2.493 10 0 BEAERP CCc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000258736478 322877295 /nfs/dbraw/zinc/87/72/95/322877295.db2.gz KNDTXLFIKTZHFG-NSHDSACASA-N 2 0 206.333 2.076 10 0 BEAERP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(C)c1 ZINC000258877305 322879338 /nfs/dbraw/zinc/87/93/38/322879338.db2.gz KBNWDTACLDVWHG-ZDUSSCGKSA-N 2 0 218.344 2.003 10 0 BEAERP C(CC1CCCCC1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258946320 322879908 /nfs/dbraw/zinc/87/99/08/322879908.db2.gz QVMGJWQHLDYDEE-CYBMUJFWSA-N 2 0 210.365 2.156 10 0 BEAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394486497 410795481 /nfs/dbraw/zinc/79/54/81/410795481.db2.gz HSMDQQVNBRFMAU-TUAOUCFPSA-N 2 0 246.345 2.481 10 0 BEAERP CC(C)CC[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049663275 166843470 /nfs/dbraw/zinc/84/34/70/166843470.db2.gz JAICRFDRYMZFIP-STQMWFEESA-N 2 0 212.381 2.210 10 0 BEAERP CC(C)[NH2+]CCCC[N@H+](C)Cc1ccncc1 ZINC000037634945 167102706 /nfs/dbraw/zinc/10/27/06/167102706.db2.gz AXRJKGFXSYGLGA-UHFFFAOYSA-N 2 0 235.375 2.292 10 0 BEAERP CC(C)[NH2+]CC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000052424008 167108332 /nfs/dbraw/zinc/10/83/32/167108332.db2.gz BUWDHQLHFDWOLG-AWEZNQCLSA-N 2 0 249.402 2.333 10 0 BEAERP CC(C)[NH2+]Cc1ccccc1N(C)CC[NH+](C)C ZINC000104200873 167121294 /nfs/dbraw/zinc/12/12/94/167121294.db2.gz XETIPVBUTAGTSP-UHFFFAOYSA-N 2 0 249.402 2.182 10 0 BEAERP CC[NH+](CC)CCOc1cccc([C@@H](C)[NH3+])c1 ZINC000022166603 169783328 /nfs/dbraw/zinc/78/33/28/169783328.db2.gz OOKQVMSFYUJYFT-GFCCVEGCSA-N 2 0 236.359 2.427 10 0 BEAERP CC(C)[C@@H](C)[N@H+](C)CC1CCC([NH3+])CC1 ZINC000037482489 167369568 /nfs/dbraw/zinc/36/95/68/167369568.db2.gz IUWZFEWZPMGEBL-PNESKVBLSA-N 2 0 212.381 2.480 10 0 BEAERP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000123523584 411153953 /nfs/dbraw/zinc/15/39/53/411153953.db2.gz ROSKDUFNNRATEB-LBPRGKRZSA-N 2 0 242.432 2.204 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403592312 411351457 /nfs/dbraw/zinc/35/14/57/411351457.db2.gz DKXMGIALJQDJRC-LQVBTDEGSA-N 2 0 208.349 2.035 10 0 BEAERP CC1CCC(C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000063145776 168152860 /nfs/dbraw/zinc/15/28/60/168152860.db2.gz QEEQCCAYYHLCRW-WXRRBKDZSA-N 2 0 210.365 2.093 10 0 BEAERP CC1CC[NH+](CC2CCC([NH3+])CC2)CC1 ZINC000037482363 168178569 /nfs/dbraw/zinc/17/85/69/168178569.db2.gz GGUKTAAOBXJUDI-UHFFFAOYSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764259 168179625 /nfs/dbraw/zinc/17/96/25/168179625.db2.gz IKYHQJCHRIQBOP-CYBMUJFWSA-N 2 0 210.365 2.251 10 0 BEAERP CC1CC[NH+](C[C@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000053860888 168182508 /nfs/dbraw/zinc/18/25/08/168182508.db2.gz JTFYLZMGHNQAOL-MCIONIFRSA-N 2 0 224.392 2.482 10 0 BEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000037644174 170008077 /nfs/dbraw/zinc/00/80/77/170008077.db2.gz VHOUKRLIUUCHGY-STQMWFEESA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000087876320 170108240 /nfs/dbraw/zinc/10/82/40/170108240.db2.gz XZQSAICLFKERGM-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+]CC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419187 170117172 /nfs/dbraw/zinc/11/71/72/170117172.db2.gz HAYXDKNRMSENDF-ZDUSSCGKSA-N 2 0 232.371 2.433 10 0 BEAERP CC[NH2+]C[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012599 170120446 /nfs/dbraw/zinc/12/04/46/170120446.db2.gz IYBUQTNWSLPDKC-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+]C[C@@](C)(CC)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934180 170120809 /nfs/dbraw/zinc/12/08/09/170120809.db2.gz WJLLUEBBPWSAGC-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012856 170122714 /nfs/dbraw/zinc/12/27/14/170122714.db2.gz CFBGFSKZQSAQNH-ROKHWSDSSA-N 2 0 224.392 2.497 10 0 BEAERP CC[NH2+]Cc1cc(C[N@H+](CC)CC(C)C)on1 ZINC000052449666 170125255 /nfs/dbraw/zinc/12/52/55/170125255.db2.gz IIEUAAUELSWJEH-UHFFFAOYSA-N 2 0 239.363 2.262 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](CC)[C@@H](C)COC ZINC000053871456 170150225 /nfs/dbraw/zinc/15/02/25/170150225.db2.gz GZCNVJYWNPIWAY-BFHYXJOUSA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH2+][C@H](C)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104199711 170157110 /nfs/dbraw/zinc/15/71/10/170157110.db2.gz YKKBNWXUCHXXFS-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCCSCC1 ZINC000053879675 170166760 /nfs/dbraw/zinc/16/67/60/170166760.db2.gz ODULMMFCECUKQI-STQMWFEESA-N 2 0 242.432 2.204 10 0 BEAERP CCOC1CC[NH+](C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858548 170332070 /nfs/dbraw/zinc/33/20/70/170332070.db2.gz PFARLFLLUMGDNY-GXTWGEPZSA-N 2 0 240.391 2.005 10 0 BEAERP [NH3+]C[C@H]1CCN(c2nccc3ccccc32)C1 ZINC000132071725 411754862 /nfs/dbraw/zinc/75/48/62/411754862.db2.gz FBSGCALDULAUQB-LLVKDONJSA-N 2 0 227.311 2.020 10 0 BEAERP CC[C@@H]1CC[N@@H+](C2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000049666368 171009432 /nfs/dbraw/zinc/00/94/32/171009432.db2.gz LJEHIEMICATRTQ-QWHCGFSZSA-N 2 0 240.391 2.018 10 0 BEAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CC[C@H](C)[NH2+]1 ZINC000049662854 171011661 /nfs/dbraw/zinc/01/16/61/171011661.db2.gz FADRNIIZBVMKHM-MJBXVCDLSA-N 2 0 240.391 2.018 10 0 BEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764416 171110286 /nfs/dbraw/zinc/11/02/86/171110286.db2.gz OKSRYDVXAIYHHG-MELADBBJSA-N 2 0 240.391 2.018 10 0 BEAERP CC[C@H](C)C[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000037173357 171274428 /nfs/dbraw/zinc/27/44/28/171274428.db2.gz ZHQZJQJXTZUGTI-NSHDSACASA-N 2 0 233.359 2.449 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)C[C@@](C)(CC)C[NH2+]C ZINC000051256629 171315406 /nfs/dbraw/zinc/31/54/06/171315406.db2.gz FHGGVYQXLMIFAG-KBPBESRZSA-N 2 0 244.423 2.369 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)CC[C@@H]1CCCC[NH2+]1 ZINC000042584318 171315546 /nfs/dbraw/zinc/31/55/46/171315546.db2.gz GKMPZUHALJEINT-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578603 171315846 /nfs/dbraw/zinc/31/58/46/171315846.db2.gz UIHMMBQHKUDWCK-MJBXVCDLSA-N 2 0 242.407 2.251 10 0 BEAERP CC[C@H](C)[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000309169680 171341194 /nfs/dbraw/zinc/34/11/94/171341194.db2.gz KTIFPECTBSHASN-QWRGUYRKSA-N 2 0 207.321 2.149 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665265670 412208385 /nfs/dbraw/zinc/20/83/85/412208385.db2.gz ZAXVZOXMGIZBLA-AXFHLTTASA-N 2 0 232.318 2.009 10 0 BEAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)CC1CCC1 ZINC000665267563 412211194 /nfs/dbraw/zinc/21/11/94/412211194.db2.gz YPWCTVTYALFUCC-CYBMUJFWSA-N 2 0 210.365 2.298 10 0 BEAERP C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000665274536 412217356 /nfs/dbraw/zinc/21/73/56/412217356.db2.gz SDQKOSVGJNMSPO-DGCLKSJQSA-N 2 0 208.349 2.074 10 0 BEAERP CCn1cc[nH+]c1NC[C@@H]([NH3+])c1ccccc1 ZINC000062838664 172227093 /nfs/dbraw/zinc/22/70/93/172227093.db2.gz GWNNVGBRWIFNQH-GFCCVEGCSA-N 2 0 230.315 2.015 10 0 BEAERP CCn1cc[nH+]c1N[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000104305369 172227340 /nfs/dbraw/zinc/22/73/40/172227340.db2.gz UIKIQUZTTZNDQY-DGCLKSJQSA-N 2 0 236.363 2.223 10 0 BEAERP CCn1cc[nH+]c1NC[C@@H](C)[NH+]1CCCCC1 ZINC000050614094 172227488 /nfs/dbraw/zinc/22/74/88/172227488.db2.gz WJANLQIGXWTRFL-GFCCVEGCSA-N 2 0 236.363 2.189 10 0 BEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419380 173371477 /nfs/dbraw/zinc/37/14/77/173371477.db2.gz BTIFZQFVUGWNNT-UONOGXRCSA-N 2 0 240.391 2.018 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccs2)C1 ZINC000053031176 173381571 /nfs/dbraw/zinc/38/15/71/173381571.db2.gz ITIYOJJSNSSUNU-WDEREUQCSA-N 2 0 224.373 2.350 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035303 173382308 /nfs/dbraw/zinc/38/23/08/173382308.db2.gz GQMPSKQIBLIPAI-QWHCGFSZSA-N 2 0 224.392 2.497 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376109 173387124 /nfs/dbraw/zinc/38/71/24/173387124.db2.gz WIWVOQVIFVKACA-SNVBAGLBSA-N 2 0 222.332 2.292 10 0 BEAERP C[NH2+]Cc1cc2occc2c(OCC[NH+](C)C)c1 ZINC000073739380 173387169 /nfs/dbraw/zinc/38/71/69/173387169.db2.gz YLTDOBYQEDFKHZ-UHFFFAOYSA-N 2 0 248.326 2.093 10 0 BEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCOCC1(C)C ZINC000052546210 173390762 /nfs/dbraw/zinc/39/07/62/173390762.db2.gz CCDWSXSSQLOBGG-UHFFFAOYSA-N 2 0 248.370 2.017 10 0 BEAERP C[NH2+][C@@H](C)c1ccccc1OCC[NH+]1CCCC1 ZINC000037706723 173419777 /nfs/dbraw/zinc/41/97/77/173419777.db2.gz BWQAGWXXOFALKZ-ZDUSSCGKSA-N 2 0 248.370 2.442 10 0 BEAERP C[NH2+][C@H](C)c1ccccc1OCC[NH+]1CCCC1 ZINC000037706725 173449283 /nfs/dbraw/zinc/44/92/83/173449283.db2.gz BWQAGWXXOFALKZ-CYBMUJFWSA-N 2 0 248.370 2.442 10 0 BEAERP COCCCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000124048485 174176284 /nfs/dbraw/zinc/17/62/84/174176284.db2.gz XQSOTEZEVIWDHR-UONOGXRCSA-N 2 0 242.407 2.218 10 0 BEAERP COCC[N@H+](CC1([NH3+])CCCC1)[C@@H](C)C1CC1 ZINC000042689300 174288120 /nfs/dbraw/zinc/28/81/20/174288120.db2.gz VRVQTBAYMABEAX-LBPRGKRZSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[NH2+]CCCC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000053499332 174332025 /nfs/dbraw/zinc/33/20/25/174332025.db2.gz MPJDINXBSHXMEQ-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP COc1ccc(C)cc1[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245068 175080921 /nfs/dbraw/zinc/08/09/21/175080921.db2.gz OMSCNOSGYODWGM-QWHCGFSZSA-N 2 0 248.370 2.345 10 0 BEAERP COc1ccc([C@@H](CCC[NH3+])[NH+](C)C)cc1C ZINC000019673876 175178339 /nfs/dbraw/zinc/17/83/39/175178339.db2.gz QZUFPYHCOACSGE-CYBMUJFWSA-N 2 0 236.359 2.345 10 0 BEAERP COc1ccc([C@@H]([NH3+])CC[NH+]2CCCC2)cc1 ZINC000020274047 175179330 /nfs/dbraw/zinc/17/93/30/175179330.db2.gz OOORKEVKYJEFLS-AWEZNQCLSA-N 2 0 234.343 2.181 10 0 BEAERP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245107 175286606 /nfs/dbraw/zinc/28/66/06/175286606.db2.gz VCXTXKXNJZLDCD-VXGBXAGGSA-N 2 0 234.343 2.037 10 0 BEAERP COc1cccc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)c1 ZINC000082341591 175291976 /nfs/dbraw/zinc/29/19/76/175291976.db2.gz JWFCYSSIWBBYJA-TZMCWYRMSA-N 2 0 234.343 2.037 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000131455715 175292642 /nfs/dbraw/zinc/29/26/42/175292642.db2.gz MHULZIDFKNLKME-FRRDWIJNSA-N 2 0 248.370 2.425 10 0 BEAERP C[C@@H](C[NH3+])CN(C)c1cc[nH+]c2ccccc21 ZINC000042455574 175707357 /nfs/dbraw/zinc/70/73/57/175707357.db2.gz OSDPEVMMSGSGQW-NSHDSACASA-N 2 0 229.327 2.266 10 0 BEAERP C[C@@H](c1ccc[nH]1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000095068240 176016629 /nfs/dbraw/zinc/01/66/29/176016629.db2.gz GXOLAQTTYSWKQZ-NSHDSACASA-N 2 0 221.348 2.007 10 0 BEAERP C[C@@H](c1cccs1)N(C)C(C)(C)C[NH3+] ZINC000049726291 176033079 /nfs/dbraw/zinc/03/30/79/176033079.db2.gz IJYBUTIKJXWVDA-VIFPVBQESA-N 2 0 212.362 2.478 10 0 BEAERP C[C@@H](c1ccncc1)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049666708 176035885 /nfs/dbraw/zinc/03/58/85/176035885.db2.gz ONQYRGBFQDRVAZ-OLZOCXBDSA-N 2 0 233.359 2.074 10 0 BEAERP C[C@@H](c1nccs1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068228 176039616 /nfs/dbraw/zinc/03/96/16/176039616.db2.gz PRAXBTLRTGCXAK-WDEREUQCSA-N 2 0 239.388 2.136 10 0 BEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546781 176079041 /nfs/dbraw/zinc/07/90/41/176079041.db2.gz PAPRFCMAHHTBNA-MFKMUULPSA-N 2 0 237.347 2.144 10 0 BEAERP C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccccn1 ZINC000036777249 176090323 /nfs/dbraw/zinc/09/03/23/176090323.db2.gz LCWDEMFVTRXTJG-UKRRQHHQSA-N 2 0 247.386 2.421 10 0 BEAERP C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)CC[C@@H](C)[NH2+]1 ZINC000042824649 176171613 /nfs/dbraw/zinc/17/16/13/176171613.db2.gz DGIDCJKZMNHUOJ-MCIONIFRSA-N 2 0 240.391 2.018 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000040717022 176174781 /nfs/dbraw/zinc/17/47/81/176174781.db2.gz PSAWXGCSWZGCAU-SNVBAGLBSA-N 2 0 222.307 2.126 10 0 BEAERP C[C@@H]1C[N@H+](CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049711342 176294260 /nfs/dbraw/zinc/29/42/60/176294260.db2.gz XJIIIDAGCBVIMP-RISCZKNCSA-N 2 0 236.334 2.037 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@H+](CC2CCCCC2)C1 ZINC000049666078 176324784 /nfs/dbraw/zinc/32/47/84/176324784.db2.gz JNVXPXAIOFEGHG-CYBMUJFWSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C(C2CC2)C2CC2)C1 ZINC000049668090 176328490 /nfs/dbraw/zinc/32/84/90/176328490.db2.gz NERSHPNGSGXCDO-VXGBXAGGSA-N 2 0 236.403 2.352 10 0 BEAERP C[C@H](Cc1ccco1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000042593941 176725140 /nfs/dbraw/zinc/72/51/40/176725140.db2.gz UTZMQHOECZULEU-GFCCVEGCSA-N 2 0 244.338 2.459 10 0 BEAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC[NH2+]CCC1 ZINC000049665316 177081713 /nfs/dbraw/zinc/08/17/13/177081713.db2.gz WDNUUNHKJGCJIW-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1CCC[N@H+](CC2(C[NH3+])CCCC2)C1 ZINC000049814819 177095850 /nfs/dbraw/zinc/09/58/50/177095850.db2.gz LOEKWAYYIMJADW-LBPRGKRZSA-N 2 0 210.365 2.237 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000037910046 177111099 /nfs/dbraw/zinc/11/10/99/177111099.db2.gz FQBIDFQQCKDJRA-NSHDSACASA-N 2 0 204.317 2.130 10 0 BEAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCN1CCCC1 ZINC000020126767 177113580 /nfs/dbraw/zinc/11/35/80/177113580.db2.gz ZCSBFTSDRFTJLR-PBWFPOADSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000051732500 177158489 /nfs/dbraw/zinc/15/84/89/177158489.db2.gz LFIJCLZCMNVQIZ-QWHCGFSZSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@H]1CC[NH+](CC(C)(C)C)CC[C@H](C)[NH2+]1 ZINC000049667087 177159385 /nfs/dbraw/zinc/15/93/85/177159385.db2.gz DKQMUVPNAURAKK-RYUDHWBXSA-N 2 0 212.381 2.495 10 0 BEAERP C[C@H]1CC[NH+](CCc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666549 177161612 /nfs/dbraw/zinc/16/16/12/177161612.db2.gz CINGFDBWDRQKMH-KBPBESRZSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000040717023 177164003 /nfs/dbraw/zinc/16/40/03/177164003.db2.gz PSAWXGCSWZGCAU-JTQLQIEISA-N 2 0 222.307 2.126 10 0 BEAERP C[C@H]1CC[C@@H]([NH3+])[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000096984999 177192397 /nfs/dbraw/zinc/19/23/97/177192397.db2.gz CDZQJQWXULZXMK-QCEMKRCNSA-N 2 0 244.382 2.492 10 0 BEAERP C[C@H]1C[N@@H+](C2CCCCCC2)CC[C@@H]1[NH3+] ZINC000049710503 177242805 /nfs/dbraw/zinc/24/28/05/177242805.db2.gz ITVZDERBBYHQQN-AAEUAGOBSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@H]1C[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000082346550 177285858 /nfs/dbraw/zinc/28/58/58/177285858.db2.gz FIHYLOPZALKCDP-DZGCQCFKSA-N 2 0 230.355 2.118 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH3+])o2)C1 ZINC000052420640 177314739 /nfs/dbraw/zinc/31/47/39/177314739.db2.gz JSSMRNACWYUQKE-PHIMTYICSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@H]1C[C@@H](CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000083254969 177323835 /nfs/dbraw/zinc/32/38/35/177323835.db2.gz MNHIPMWKEKKGBU-GXTWGEPZSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400349969 226341338 /nfs/dbraw/zinc/34/13/38/226341338.db2.gz JQDXIKDVXFAYKC-ZFWWWQNUSA-N 2 0 232.371 2.207 10 0 BEAERP CSCCCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400398001 226342706 /nfs/dbraw/zinc/34/27/06/226342706.db2.gz JTNUMGOLYVJELA-RYUDHWBXSA-N 2 0 230.421 2.107 10 0 BEAERP CC1CCC(C[NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000398378824 262760700 /nfs/dbraw/zinc/76/07/00/262760700.db2.gz GMBWKLLESLGCGB-BPCQOVAHSA-N 2 0 210.365 2.012 10 0 BEAERP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400799864 229243639 /nfs/dbraw/zinc/24/36/39/229243639.db2.gz UHXAAPOBLNODAY-JSGCOSHPSA-N 2 0 218.344 2.083 10 0 BEAERP C[N@H+](C[C@H]1CCCCC1(F)F)C1CC([NH3+])C1 ZINC000384997057 487759459 /nfs/dbraw/zinc/75/94/59/487759459.db2.gz LLRZGPFYRMDRKZ-KPPDAEKUSA-N 2 0 232.318 2.233 10 0 BEAERP C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000667023769 487932364 /nfs/dbraw/zinc/93/23/64/487932364.db2.gz ZRRIZFOWFGTILT-NWDGAFQWSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000569454013 322966481 /nfs/dbraw/zinc/96/64/81/322966481.db2.gz UMLJXZNJUJYHAH-MQLXINIDSA-N 2 0 222.376 2.153 10 0 BEAERP CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000570262393 323054456 /nfs/dbraw/zinc/05/44/56/323054456.db2.gz QHKRNRVBADWGTE-RYUDHWBXSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000530207024 323209471 /nfs/dbraw/zinc/20/94/71/323209471.db2.gz CBYNUGFWFDDMGW-QRTUWBSPSA-N 2 0 236.403 2.400 10 0 BEAERP C1=CC[C@H](CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000530218257 324536325 /nfs/dbraw/zinc/53/63/25/324536325.db2.gz KYJILYARMYOTIU-UONOGXRCSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@H]([NH2+]CC1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000566908913 326092565 /nfs/dbraw/zinc/09/25/65/326092565.db2.gz GRUXSNXTSQETBN-AAEUAGOBSA-N 2 0 242.432 2.107 10 0 BEAERP CSCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566908979 326092920 /nfs/dbraw/zinc/09/29/20/326092920.db2.gz RSTQICKOBVTMNR-NWDGAFQWSA-N 2 0 230.421 2.107 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084219297 488038455 /nfs/dbraw/zinc/03/84/55/488038455.db2.gz XEWVDQRFHJEKEU-NQBHXWOUSA-N 2 0 238.400 2.396 10 0 BEAERP Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000257656764 488076504 /nfs/dbraw/zinc/07/65/04/488076504.db2.gz QVWKNRQHPJPTFD-MNOVXSKESA-N 2 0 205.305 2.072 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417608 487824228 /nfs/dbraw/zinc/82/42/28/487824228.db2.gz RVKBRXDCICPMFX-BFHYXJOUSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@H](CC1CCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000390089970 488137161 /nfs/dbraw/zinc/13/71/61/488137161.db2.gz INKRURKMYQNGSK-YRGRVCCFSA-N 2 0 224.392 2.482 10 0 BEAERP [NH3+]C1(C[NH2+]C[C@@H]2CCCCC2(F)F)CCC1 ZINC000390931023 488184550 /nfs/dbraw/zinc/18/45/50/488184550.db2.gz DKGNBABFWLNWSL-JTQLQIEISA-N 2 0 232.318 2.283 10 0 BEAERP c1cc(C[NH+]2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000131620752 490649383 /nfs/dbraw/zinc/64/93/83/490649383.db2.gz NQZXYOLMZUZXMB-UHFFFAOYSA-N 2 0 230.355 2.318 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400944075 491069147 /nfs/dbraw/zinc/06/91/47/491069147.db2.gz CIILHAXTNUUFJZ-ITGHMWBKSA-N 2 0 222.376 2.153 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400507188 533906005 /nfs/dbraw/zinc/90/60/05/533906005.db2.gz DRORBENTZCJUCY-YNEHKIRRSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400322374 533907248 /nfs/dbraw/zinc/90/72/48/533907248.db2.gz BMBUDTZVYARCAZ-MROQNXINSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400391875 533905355 /nfs/dbraw/zinc/90/53/55/533905355.db2.gz NMOSNFXIAQIZTQ-QJPTWQEYSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000400507991 533927973 /nfs/dbraw/zinc/92/79/73/533927973.db2.gz DWDUMOOSFRMPBZ-CMPLNLGQSA-N 2 0 238.762 2.428 10 0 BEAERP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400751971 533960067 /nfs/dbraw/zinc/96/00/67/533960067.db2.gz VVFLNCNJNIXNIP-FVCCEPFGSA-N 2 0 242.432 2.248 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400521976 534001253 /nfs/dbraw/zinc/00/12/53/534001253.db2.gz OSLUVHFOLVCPKZ-AGIUHOORSA-N 2 0 236.359 2.188 10 0 BEAERP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000252475254 519731173 /nfs/dbraw/zinc/73/11/73/519731173.db2.gz WXYUATKECWZXJE-CHWSQXEVSA-N 2 0 212.381 2.351 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C ZINC000252475292 519861944 /nfs/dbraw/zinc/86/19/44/519861944.db2.gz XQLAIQKDMNUQBO-CHWSQXEVSA-N 2 0 212.381 2.495 10 0 BEAERP CCCC[N@@H+]1CC[C@H]([NH2+]CCC)[C@@H](C)C1 ZINC000219749852 520595936 /nfs/dbraw/zinc/59/59/36/520595936.db2.gz ULJGBSOQGOMUMG-STQMWFEESA-N 2 0 212.381 2.497 10 0 BEAERP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400412093 534818147 /nfs/dbraw/zinc/81/81/47/534818147.db2.gz UEOAAQRHMPJXTG-WDEREUQCSA-N 2 0 224.373 2.144 10 0 BEAERP CC(C)C(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400406979 527571731 /nfs/dbraw/zinc/57/17/31/527571731.db2.gz RXKLTUFGWJXHTC-VXGBXAGGSA-N 2 0 212.381 2.256 10 0 BEAERP CC(C)C1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400483260 527615231 /nfs/dbraw/zinc/61/52/31/527615231.db2.gz WSZMVLCKXRZBJC-VXGBXAGGSA-N 2 0 210.365 2.010 10 0 BEAERP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400317833 528656459 /nfs/dbraw/zinc/65/64/59/528656459.db2.gz ADWZYTYVYVIVDH-TZMCWYRMSA-N 2 0 248.370 2.173 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400432984 529195551 /nfs/dbraw/zinc/19/55/51/529195551.db2.gz LTCXFXHBGIPDEM-SDDRHHMPSA-N 2 0 230.421 2.106 10 0 BEAERP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226859086 535134035 /nfs/dbraw/zinc/13/40/35/535134035.db2.gz WXYUATKECWZXJE-QWHCGFSZSA-N 2 0 212.381 2.351 10 0 BEAERP C[N@H+](C[C@H]1CCCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000261538148 536443757 /nfs/dbraw/zinc/44/37/57/536443757.db2.gz JKMZSRJPSBRKST-NSHDSACASA-N 2 0 246.345 2.496 10 0 BEAERP C[C@@H]1C[C@@]2(CCN1C)[NH2+]CCc1sccc12 ZINC000397268335 583099371 /nfs/dbraw/zinc/09/93/71/583099371.db2.gz CFHKSBXMPGRABL-ZWNOBZJWSA-N 2 0 236.384 2.203 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757132973 582508929 /nfs/dbraw/zinc/50/89/29/582508929.db2.gz SHXNQGQFOJWUPZ-MBNYWOFBSA-N 2 0 222.376 2.391 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757133860 582510698 /nfs/dbraw/zinc/51/06/98/582510698.db2.gz VJGNNYWCYIUNKB-XQQFMLRXSA-N 2 0 210.365 2.391 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135001 582514061 /nfs/dbraw/zinc/51/40/61/582514061.db2.gz XTUUDHBNECBTHM-MELADBBJSA-N 2 0 224.392 2.495 10 0 BEAERP CC[NH+]1CCC2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757147751 582531223 /nfs/dbraw/zinc/53/12/23/582531223.db2.gz STEAVZIZIDABIR-UHFFFAOYSA-N 2 0 240.391 2.223 10 0 BEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@H](C)C[C@H](C)O2 ZINC000757151620 582536050 /nfs/dbraw/zinc/53/60/50/582536050.db2.gz RETVTCRDZUUYQI-OLZOCXBDSA-N 2 0 240.391 2.221 10 0 BEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccs2)[NH2+]1 ZINC000757217113 582561926 /nfs/dbraw/zinc/56/19/26/582561926.db2.gz RFQVOEIUGANPQQ-BTQIBKBOSA-N 2 0 224.373 2.382 10 0 BEAERP CC(=O)c1ccc([C@@H]2[NH2+][C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000757218008 582562471 /nfs/dbraw/zinc/56/24/71/582562471.db2.gz UMTKNVQIJNRTKN-LKTVYLICSA-N 2 0 246.354 2.277 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126381 586425915 /nfs/dbraw/zinc/42/59/15/586425915.db2.gz FLJVLYOOVHKRJL-YRGRVCCFSA-N 2 0 222.376 2.391 10 0 BEAERP C[C@H]1C[C@H]1[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131107 586426390 /nfs/dbraw/zinc/42/63/90/586426390.db2.gz PETFBWQQYSALJD-UMSGYPCISA-N 2 0 208.349 2.001 10 0 BEAERP C[C@H]1CCC[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757207155 586438083 /nfs/dbraw/zinc/43/80/83/586438083.db2.gz BCMJAGAVQZWIJQ-GWCFXTLKSA-N 2 0 204.317 2.348 10 0 BEAERP C[C@@H]1C[C@@H](c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000757210698 586438237 /nfs/dbraw/zinc/43/82/37/586438237.db2.gz GSIGLPBJSFAMOP-MFKMUULPSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1CCC[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757209467 586438463 /nfs/dbraw/zinc/43/84/63/586438463.db2.gz FHFKYYCWQMTLJJ-MFKMUULPSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CCC[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757211770 586438908 /nfs/dbraw/zinc/43/89/08/586438908.db2.gz ITWIEAVZCINGCT-MFKMUULPSA-N 2 0 204.317 2.348 10 0 BEAERP CC1(c2ccc([C@H]3C[NH2+]CC[C@H]3[NH3+])cc2)CC1 ZINC000757211810 586439004 /nfs/dbraw/zinc/43/90/04/586439004.db2.gz IUGJZYGCLDZVDV-ZIAGYGMSSA-N 2 0 230.355 2.142 10 0 BEAERP C[C@@H]1C[C@H](c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000757215002 586440449 /nfs/dbraw/zinc/44/04/49/586440449.db2.gz MWISOVYHKMMREC-ZWNOBZJWSA-N 2 0 204.317 2.001 10 0 BEAERP [NH3+]CC[C@@H]1CC[C@@H](c2ccsc2)[NH2+]C1 ZINC000757218870 586442096 /nfs/dbraw/zinc/44/20/96/586442096.db2.gz XHHVHPZFYMBDDS-ONGXEEELSA-N 2 0 210.346 2.138 10 0 BEAERP [NH3+]C[C@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220402 586442149 /nfs/dbraw/zinc/44/21/49/586442149.db2.gz YYVNISUQRPKWES-MFKMUULPSA-N 2 0 229.327 2.167 10 0 BEAERP C[C@@H]1C[C@H](c2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC000757227409 586442706 /nfs/dbraw/zinc/44/27/06/586442706.db2.gz BUBKMDVUOSWQQW-DGCLKSJQSA-N 2 0 230.355 2.188 10 0 BEAERP C[C@H]1C[C@H](c2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC000757227414 586442719 /nfs/dbraw/zinc/44/27/19/586442719.db2.gz BUBKMDVUOSWQQW-WCQYABFASA-N 2 0 230.355 2.188 10 0 BEAERP CC[N@@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757572451 586463019 /nfs/dbraw/zinc/46/30/19/586463019.db2.gz RGARGUJFBULSRY-AWEZNQCLSA-N 2 0 218.344 2.345 10 0 BEAERP C[NH+](C)CC(C)(C)C[NH2+]CCc1ccccc1 ZINC000019905712 590041548 /nfs/dbraw/zinc/04/15/48/590041548.db2.gz WUTPIPCHKRSVJR-UHFFFAOYSA-N 2 0 234.387 2.407 10 0 BEAERP CCN1CCCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000128264208 590954427 /nfs/dbraw/zinc/95/44/27/590954427.db2.gz NWBNTILFGLCFHJ-OLZOCXBDSA-N 2 0 242.432 2.346 10 0 BEAERP CS[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000235107218 631963472 /nfs/dbraw/zinc/96/34/72/631963472.db2.gz XRXDMAWNMVJLSG-QQFIATSDSA-N 2 0 228.405 2.130 10 0 BEAERP Cc1cccc(NCCCCCC[NH3+])[nH+]1 ZINC000235784808 632828325 /nfs/dbraw/zinc/82/83/25/632828325.db2.gz AKRUWQNJCRBTEM-UHFFFAOYSA-N 2 0 207.321 2.321 10 0 BEAERP C[C@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000258747414 635194668 /nfs/dbraw/zinc/19/46/68/635194668.db2.gz OAJRSNPMTWZTHI-ZBOXLXRLSA-N 2 0 204.317 2.075 10 0 BEAERP CC1CCC(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000310500284 636191960 /nfs/dbraw/zinc/19/19/60/636191960.db2.gz JCHPTPYEYCUVEO-PFSRBDOWSA-N 2 0 236.403 2.354 10 0 BEAERP [NH3+]CCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428104 638321682 /nfs/dbraw/zinc/32/16/82/638321682.db2.gz YGCAONZUDUNKKN-UONOGXRCSA-N 2 0 240.391 2.149 10 0 BEAERP [NH3+]CCCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428103 638321817 /nfs/dbraw/zinc/32/18/17/638321817.db2.gz YGCAONZUDUNKKN-KGLIPLIRSA-N 2 0 240.391 2.149 10 0 BEAERP C[C@@H]([NH3+])CN(C)c1cc[nH+]c2ccccc21 ZINC000082592561 643350527 /nfs/dbraw/zinc/35/05/27/643350527.db2.gz JDJBKWCFURURBE-SNVBAGLBSA-N 2 0 215.300 2.018 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@H]2C ZINC000685952967 644518411 /nfs/dbraw/zinc/51/84/11/644518411.db2.gz DLXASSDQAPWPNV-FRRDWIJNSA-N 2 0 210.365 2.378 10 0 BEAERP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000096859309 644843522 /nfs/dbraw/zinc/84/35/22/644843522.db2.gz VCZQLEOXZXJBCG-UZGISAJGSA-N 2 0 230.355 2.371 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000706432426 712146048 /nfs/dbraw/zinc/14/60/48/712146048.db2.gz XQCZYBQTASYPAF-OUCADQQQSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000716546453 712567675 /nfs/dbraw/zinc/56/76/75/712567675.db2.gz PLWPQLAAMJIMDX-XHJNMGKDSA-N 2 0 222.376 2.010 10 0 BEAERP C1=CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)CCC1 ZINC000719107981 712797344 /nfs/dbraw/zinc/79/73/44/712797344.db2.gz ZFGXYEBPCHVXOQ-CHWSQXEVSA-N 2 0 208.349 2.074 10 0 BEAERP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000720914066 712877985 /nfs/dbraw/zinc/87/79/85/712877985.db2.gz JYGQDHSQKDKRLO-WDEREUQCSA-N 2 0 246.345 2.400 10 0 BEAERP Cc1cnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000724034006 710736360 /nfs/dbraw/zinc/73/63/60/710736360.db2.gz NJXZCTSLPYJDLV-STQMWFEESA-N 2 0 233.359 2.058 10 0 BEAERP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCOC1 ZINC000723990157 711551784 /nfs/dbraw/zinc/55/17/84/711551784.db2.gz XTLWXFPUALAVIV-BLYZHGLHSA-N 2 0 240.391 2.051 10 0 BEAERP Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000724023871 711556696 /nfs/dbraw/zinc/55/66/96/711556696.db2.gz PQLMNLAZDKDREC-KGLIPLIRSA-N 2 0 247.386 2.306 10 0 BEAERP [NH3+]C1CCC([NH2+]CCC2CC=CC2)CC1 ZINC000724199200 711569165 /nfs/dbraw/zinc/56/91/65/711569165.db2.gz FLXNLMXMRDWWGI-UHFFFAOYSA-N 2 0 208.349 2.202 10 0 BEAERP C1=CCC(CC[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000724200129 711569245 /nfs/dbraw/zinc/56/92/45/711569245.db2.gz LDLHNNYBDZFQTH-CYBMUJFWSA-N 2 0 208.349 2.074 10 0 BEAERP CSC1CC([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000706932140 712161439 /nfs/dbraw/zinc/16/14/39/712161439.db2.gz ZDMMFELLJGXPPF-PKSQDBQZSA-N 2 0 242.432 2.200 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709867368 712230061 /nfs/dbraw/zinc/23/00/61/712230061.db2.gz JCTKZZCBSQGKTR-QWHCGFSZSA-N 2 0 210.365 2.106 10 0 BEAERP CSC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000711035253 712275575 /nfs/dbraw/zinc/27/55/75/712275575.db2.gz WRVQDIQBLGAIBK-MNOVXSKESA-N 2 0 230.421 2.106 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000714760194 712498387 /nfs/dbraw/zinc/49/83/87/712498387.db2.gz WHBYFRDSNTYHID-CHWSQXEVSA-N 2 0 240.391 2.147 10 0 BEAERP c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996535 712528909 /nfs/dbraw/zinc/52/89/09/712528909.db2.gz QBSGTAUPVKFANE-JKSUJKDBSA-N 2 0 244.382 2.446 10 0 BEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000716544819 712567690 /nfs/dbraw/zinc/56/76/90/712567690.db2.gz IHWHUQJJWQZXSN-ZXQHCJGGSA-N 2 0 222.376 2.138 10 0 BEAERP C[C@@H]([NH2+]C1CCC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000718041225 712737964 /nfs/dbraw/zinc/73/79/64/712737964.db2.gz ZFCDTQJSFYCFCS-OLZOCXBDSA-N 2 0 222.376 2.463 10 0 BEAERP CC[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713839 712749810 /nfs/dbraw/zinc/74/98/10/712749810.db2.gz WEWAKAVXYJVGAE-ZDUSSCGKSA-N 2 0 234.343 2.011 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000720898636 712875345 /nfs/dbraw/zinc/87/53/45/712875345.db2.gz CITQPTSXGDSBIQ-ZJUUUORDSA-N 2 0 232.318 2.009 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955100 538900233 /nfs/dbraw/zinc/90/02/33/538900233.db2.gz SXJKNXOBSAGZPL-LLVKDONJSA-N 2 0 210.365 2.378 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C)CC2 ZINC000685955134 538900619 /nfs/dbraw/zinc/90/06/19/538900619.db2.gz UGTHRFWKICWCAP-OTTFEQOBSA-N 2 0 210.365 2.378 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@@H]2C ZINC000685952780 538896885 /nfs/dbraw/zinc/89/68/85/538896885.db2.gz CUAIQZBKRPFHCF-RWMBFGLXSA-N 2 0 210.365 2.377 10 0 BEAERP CCC(CC)(C[NH3+])C[N@@H+]1CCC[C@H](C)C1 ZINC000051210123 168322898 /nfs/dbraw/zinc/32/28/98/168322898.db2.gz VJZSRFRWQDFTEC-LBPRGKRZSA-N 2 0 212.381 2.483 10 0 BEAERP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1ccccc1 ZINC000307604087 398179474 /nfs/dbraw/zinc/17/94/74/398179474.db2.gz VFNPCQNJSROIDE-OCCSQVGLSA-N 2 0 218.344 2.022 10 0 BEAERP Cc1cc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000044730732 178243988 /nfs/dbraw/zinc/24/39/88/178243988.db2.gz MGJMRJWLWOEYEF-CMPLNLGQSA-N 2 0 222.332 2.238 10 0 BEAERP CCC(CC)C[C@@H](C[NH3+])C1CC[NH2+]CC1 ZINC000068591295 168367524 /nfs/dbraw/zinc/36/75/24/168367524.db2.gz YHWVXURLMGGKAW-ZDUSSCGKSA-N 2 0 212.381 2.387 10 0 BEAERP CCC(CC)N(CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042681740 168374396 /nfs/dbraw/zinc/37/43/96/168374396.db2.gz DWPSREOWJNOSME-CYBMUJFWSA-N 2 0 242.407 2.266 10 0 BEAERP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCCC1(F)F ZINC000381666545 398269298 /nfs/dbraw/zinc/26/92/98/398269298.db2.gz KNVFGDRCQYPAKX-RYUDHWBXSA-N 2 0 246.345 2.496 10 0 BEAERP [NH3+]CC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381701758 398270217 /nfs/dbraw/zinc/27/02/17/398270217.db2.gz OWZFXWYLCUNNIF-GFCCVEGCSA-N 2 0 246.345 2.483 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381647138 398268573 /nfs/dbraw/zinc/26/85/73/398268573.db2.gz XZGLUYWDCRDWEH-LLVKDONJSA-N 2 0 246.345 2.496 10 0 BEAERP C[NH2+]C[C@H]1CCCN1C[C@H]1CCCCC1(F)F ZINC000381666547 398268952 /nfs/dbraw/zinc/26/89/52/398268952.db2.gz KNVFGDRCQYPAKX-VXGBXAGGSA-N 2 0 246.345 2.496 10 0 BEAERP CC[NH+]1CCC([C@@H]2CCCCC[NH2+]2)CC1 ZINC000003735127 342737459 /nfs/dbraw/zinc/73/74/59/342737459.db2.gz NDGUOQRTXFWDMX-ZDUSSCGKSA-N 2 0 210.365 2.251 10 0 BEAERP CCC(CC)[NH2+]C[C@@H](C)N(C)C[C@@H]1CCCO1 ZINC000053496175 168388747 /nfs/dbraw/zinc/38/87/47/168388747.db2.gz WJTWPDVVZHDCRH-OCCSQVGLSA-N 2 0 242.407 2.264 10 0 BEAERP CCN1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381653825 539005971 /nfs/dbraw/zinc/00/59/71/539005971.db2.gz DSKKRPIVPSKRDM-YVNMAJEFSA-N 2 0 232.318 2.104 10 0 BEAERP CCN1C[C@H]([NH2+]C2CC(C(C)C)C2)[C@@H](C)C1 ZINC000381648785 539006112 /nfs/dbraw/zinc/00/61/12/539006112.db2.gz CMJPDNRANLASLN-ABXWRUBCSA-N 2 0 224.392 2.351 10 0 BEAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000108323303 539027521 /nfs/dbraw/zinc/02/75/21/539027521.db2.gz VRAPUDSSFCIUIU-FRRDWIJNSA-N 2 0 210.365 2.236 10 0 BEAERP CC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916564 398335267 /nfs/dbraw/zinc/33/52/67/398335267.db2.gz SUSIWNCPSNUWKN-IHRRRGAJSA-N 2 0 224.392 2.497 10 0 BEAERP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400353889 529683615 /nfs/dbraw/zinc/68/36/15/529683615.db2.gz LLFIVJPLOPJULY-RVMXOQNASA-N 2 0 212.381 2.399 10 0 BEAERP CSc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000259000155 343129005 /nfs/dbraw/zinc/12/90/05/343129005.db2.gz WSRZBLWCVCQOKD-GFCCVEGCSA-N 2 0 236.384 2.108 10 0 BEAERP CC[C@H](C)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC000145355919 343167118 /nfs/dbraw/zinc/16/71/18/343167118.db2.gz KMYDFNDFCUPNSQ-LBPRGKRZSA-N 2 0 240.391 2.018 10 0 BEAERP CCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036907536 343327494 /nfs/dbraw/zinc/32/74/94/343327494.db2.gz YUXAOOKQNMXUKB-AVGNSLFASA-N 2 0 212.381 2.495 10 0 BEAERP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616678185 343535908 /nfs/dbraw/zinc/53/59/08/343535908.db2.gz GIOYSSNYRSUWTG-CQSZACIVSA-N 2 0 218.344 2.343 10 0 BEAERP FC1(F)CCC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC000409431490 343823322 /nfs/dbraw/zinc/82/33/22/343823322.db2.gz SMLZHNROBGCDGV-PWSUYJOCSA-N 2 0 244.329 2.106 10 0 BEAERP CC(F)(F)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409433742 343830160 /nfs/dbraw/zinc/83/01/60/343830160.db2.gz ZCLVLDDEXOKHAG-JTQLQIEISA-N 2 0 232.318 2.106 10 0 BEAERP CC[C@@H](OCCC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000219842601 344300117 /nfs/dbraw/zinc/30/01/17/344300117.db2.gz LLVQZOAPNWJUOB-QWHCGFSZSA-N 2 0 228.380 2.081 10 0 BEAERP C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000230903942 349922282 /nfs/dbraw/zinc/92/22/82/349922282.db2.gz DTDOFYNAYVGQID-CQSZACIVSA-N 2 0 218.344 2.118 10 0 BEAERP C[NH2+][C@@H]1CCCN([C@H](C)c2cccs2)C1 ZINC000248098814 345041284 /nfs/dbraw/zinc/04/12/84/345041284.db2.gz ZNEGBTJZMXSFAT-GHMZBOCLSA-N 2 0 224.373 2.493 10 0 BEAERP C[C@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000634999734 345199956 /nfs/dbraw/zinc/19/99/56/345199956.db2.gz YKJLQUOWKUPZSJ-RFGFWPKPSA-N 2 0 224.392 2.339 10 0 BEAERP Cc1cc(F)ccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999667 345200647 /nfs/dbraw/zinc/20/06/47/345200647.db2.gz XOCUEKZOXISMEW-YPMHNXCESA-N 2 0 236.334 2.161 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000634999733 345200671 /nfs/dbraw/zinc/20/06/71/345200671.db2.gz YKJLQUOWKUPZSJ-MQYQWHSLSA-N 2 0 224.392 2.339 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400749612 345733237 /nfs/dbraw/zinc/73/32/37/345733237.db2.gz VFRKUTGRAISOEM-NQBHXWOUSA-N 2 0 238.400 2.267 10 0 BEAERP C[C@@H](C[NH3+])C[NH+]1CCC(c2ccccc2)CC1 ZINC000034506352 345829664 /nfs/dbraw/zinc/82/96/64/345829664.db2.gz ZPZAQKWMPMTCMV-ZDUSSCGKSA-N 2 0 232.371 2.461 10 0 BEAERP CC(C)[NH+](C[C@H]1CCCC[NH2+]C1)C(C)C ZINC000669378407 537966642 /nfs/dbraw/zinc/96/66/42/537966642.db2.gz DDCXPVUVWXCUJW-ZDUSSCGKSA-N 2 0 212.381 2.495 10 0 BEAERP CCOC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000580062451 346502734 /nfs/dbraw/zinc/50/27/34/346502734.db2.gz CQUFMFBGGYNHGG-RDBSUJKOSA-N 2 0 242.407 2.025 10 0 BEAERP CC[C@H]([NH2+]CCC[NH3+])c1ccc(OC)cc1 ZINC000037713322 346706167 /nfs/dbraw/zinc/70/61/67/346706167.db2.gz MUIPBFOQVHYMAW-ZDUSSCGKSA-N 2 0 222.332 2.085 10 0 BEAERP Cc1cccc(OCCC[NH+]2CCC([NH3+])CC2)c1 ZINC000020266875 179165044 /nfs/dbraw/zinc/16/50/44/179165044.db2.gz MTRQENKSGLMQQC-UHFFFAOYSA-N 2 0 248.370 2.187 10 0 BEAERP Cc1cccc(OC[C@H](CC[NH3+])[NH+]2CCCC2)c1 ZINC000020401966 179171591 /nfs/dbraw/zinc/17/15/91/179171591.db2.gz WKGJDCAIBFWEDU-AWEZNQCLSA-N 2 0 248.370 2.187 10 0 BEAERP CC[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250321183 362799346 /nfs/dbraw/zinc/79/93/46/362799346.db2.gz NELRLMCURWMTCL-ONGXEEELSA-N 2 0 210.346 2.090 10 0 BEAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000049526092 179318687 /nfs/dbraw/zinc/31/86/87/179318687.db2.gz AOFCKLMJEGXDGQ-CHWSQXEVSA-N 2 0 218.344 2.337 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000563804510 323178386 /nfs/dbraw/zinc/17/83/86/323178386.db2.gz SKBBQGMGLYCSOD-RNJOBUHISA-N 2 0 210.365 2.153 10 0 BEAERP CCSC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000596653573 348606671 /nfs/dbraw/zinc/60/66/71/348606671.db2.gz VOSXRSJQASIYTD-NWDGAFQWSA-N 2 0 242.432 2.250 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1cccc(Cl)c1 ZINC000037713371 190981545 /nfs/dbraw/zinc/98/15/45/190981545.db2.gz FZZQNTWVPOLSCV-SECBINFHSA-N 2 0 212.724 2.339 10 0 BEAERP CSCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133590466 191041406 /nfs/dbraw/zinc/04/14/06/191041406.db2.gz QITPSGWTMHPDCZ-RYUDHWBXSA-N 2 0 230.421 2.202 10 0 BEAERP c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]C1)C=[NH+]2 ZINC000095080081 191053837 /nfs/dbraw/zinc/05/38/37/191053837.db2.gz DRPDMFVVCRODTA-LBPRGKRZSA-N 2 0 229.327 2.162 10 0 BEAERP Cc1[nH+]ccc(N[C@@H](C)CC[NH3+])c1Cl ZINC000307223590 180203705 /nfs/dbraw/zinc/20/37/05/180203705.db2.gz RVYDEUONCXQJRD-ZETCQYMHSA-N 2 0 213.712 2.193 10 0 BEAERP C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000062179947 350224311 /nfs/dbraw/zinc/22/43/11/350224311.db2.gz FTIJVWUYXLEMTG-DZGCQCFKSA-N 2 0 232.371 2.288 10 0 BEAERP CC(C)C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911929 350562778 /nfs/dbraw/zinc/56/27/78/350562778.db2.gz GGVUQWWZOPBDOX-CYBMUJFWSA-N 2 0 210.365 2.106 10 0 BEAERP CC(=[NH2+])N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307219236 351619019 /nfs/dbraw/zinc/61/90/19/351619019.db2.gz WCCMICPLNIDCQC-BXUZGUMPSA-N 2 0 231.343 2.236 10 0 BEAERP CC(=[NH2+])N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307219238 351619167 /nfs/dbraw/zinc/61/91/67/351619167.db2.gz WCCMICPLNIDCQC-RISCZKNCSA-N 2 0 231.343 2.236 10 0 BEAERP C[C@@H]1CCC[C@@H](C2=CC[C@](C)([NH3+])CC2)[NH2+]1 ZINC000725273178 538104465 /nfs/dbraw/zinc/10/44/65/538104465.db2.gz WRCYSXCVGVYPSH-WXHSDQCUSA-N 2 0 208.349 2.345 10 0 BEAERP c1ccc2c(c1)CN(CC1CC[NH2+]CC1)C=[NH+]2 ZINC000095079870 188145154 /nfs/dbraw/zinc/14/51/54/188145154.db2.gz TZCJGFYYUOZSLW-UHFFFAOYSA-N 2 0 229.327 2.162 10 0 BEAERP C(C[C@@H]1CCC[NH2+]1)[NH2+]C1CCCCCC1 ZINC000042172222 188150632 /nfs/dbraw/zinc/15/06/32/188150632.db2.gz BCVXUXUKVVQBBT-ZDUSSCGKSA-N 2 0 210.365 2.441 10 0 BEAERP C[NH2+]Cc1ccc(C[NH+]2CCCC2)s1 ZINC000016942897 188170720 /nfs/dbraw/zinc/17/07/20/188170720.db2.gz DTABUMAGMQGURV-UHFFFAOYSA-N 2 0 210.346 2.063 10 0 BEAERP CC(C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577946802 366126459 /nfs/dbraw/zinc/12/64/59/366126459.db2.gz SZKYAEAMMQCVBG-AGIUHOORSA-N 2 0 212.381 2.256 10 0 BEAERP NC(=[NH2+])CCCCCCCCCC(N)=[NH2+] ZINC000003636587 181186997 /nfs/dbraw/zinc/18/69/97/181186997.db2.gz UEBKTDKOPUCXBI-UHFFFAOYSA-N 2 0 212.341 2.369 10 0 BEAERP C([NH2+]C1CC1)[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051644 538474672 /nfs/dbraw/zinc/47/46/72/538474672.db2.gz WEMYRRVHYCEVBU-GXTWGEPZSA-N 2 0 222.376 2.154 10 0 BEAERP [NH3+]C[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000675061134 538486832 /nfs/dbraw/zinc/48/68/32/538486832.db2.gz YHPAGVSVNBAPRL-ZNMIVQPWSA-N 2 0 230.355 2.103 10 0 BEAERP C[C@H]1CC[NH2+]C[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000389740510 357023700 /nfs/dbraw/zinc/02/37/00/357023700.db2.gz YPTPNZDJIVLBDT-NHYWBVRUSA-N 2 0 241.338 2.067 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583687499 357119951 /nfs/dbraw/zinc/11/99/51/357119951.db2.gz ICQYNDGHBDGNOV-RWMBFGLXSA-N 2 0 244.448 2.496 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000583687500 357120240 /nfs/dbraw/zinc/12/02/40/357120240.db2.gz ICQYNDGHBDGNOV-XQQFMLRXSA-N 2 0 244.448 2.496 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000583018740 357449987 /nfs/dbraw/zinc/44/99/87/357449987.db2.gz MUQZJNWSWYYFQJ-RQJABVFESA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH3+])CCNc1cc[nH+]c2ccccc12 ZINC000063171421 357552898 /nfs/dbraw/zinc/55/28/98/357552898.db2.gz IQZCDSGBHSEGDS-SNVBAGLBSA-N 2 0 215.300 2.384 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000685950804 538894270 /nfs/dbraw/zinc/89/42/70/538894270.db2.gz DJSOQFFOTXNLLN-ITGUQSILSA-N 2 0 224.392 2.352 10 0 BEAERP CC[C@@H]1CC[C@H](C)[N@@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951077 538894282 /nfs/dbraw/zinc/89/42/82/538894282.db2.gz MMZRJMSZIHTYQP-FVCCEPFGSA-N 2 0 224.392 2.493 10 0 BEAERP CC(C)[NH+](C(C)C)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951104 538894437 /nfs/dbraw/zinc/89/44/37/538894437.db2.gz NASCSBQSQORPJN-RYUDHWBXSA-N 2 0 212.381 2.349 10 0 BEAERP CCCC[N@H+](CC)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950909 538894593 /nfs/dbraw/zinc/89/45/93/538894593.db2.gz HRYQCAYBSJOKAP-RYUDHWBXSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)[C@@H]1C ZINC000685951780 538895121 /nfs/dbraw/zinc/89/51/21/538895121.db2.gz YBEXMWBJOJKQSU-RGDJUOJXSA-N 2 0 224.392 2.351 10 0 BEAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1C ZINC000192643182 357841543 /nfs/dbraw/zinc/84/15/43/357841543.db2.gz WCHPCGBSFHWQQN-CYBMUJFWSA-N 2 0 233.359 2.311 10 0 BEAERP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000584774176 358174828 /nfs/dbraw/zinc/17/48/28/358174828.db2.gz BOCWYSCPWRQOHD-AVGNSLFASA-N 2 0 222.376 2.297 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000584774182 358174891 /nfs/dbraw/zinc/17/48/91/358174891.db2.gz BOCWYSCPWRQOHD-YNEHKIRRSA-N 2 0 222.376 2.297 10 0 BEAERP CN(CCC[NH3+])c1cc[nH+]c2ccccc21 ZINC000041719993 358334381 /nfs/dbraw/zinc/33/43/81/358334381.db2.gz ATFLGOJGDMFCNE-UHFFFAOYSA-N 2 0 215.300 2.020 10 0 BEAERP CCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400492593 358965064 /nfs/dbraw/zinc/96/50/64/358965064.db2.gz ZVEDUZYXVXFNOL-NEPJUHHUSA-N 2 0 210.365 2.154 10 0 BEAERP C[N@@H+]1CCC[C@H]2C[NH+](CC(C)(C)C)CC[C@@H]21 ZINC000246445194 359089989 /nfs/dbraw/zinc/08/99/89/359089989.db2.gz NMUUSSWUGRSSTO-STQMWFEESA-N 2 0 224.392 2.449 10 0 BEAERP COCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578738378 366634378 /nfs/dbraw/zinc/63/43/78/366634378.db2.gz OULGVVMDYGVDLW-CHWSQXEVSA-N 2 0 242.407 2.027 10 0 BEAERP COCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578738379 366635116 /nfs/dbraw/zinc/63/51/16/366635116.db2.gz OULGVVMDYGVDLW-OLZOCXBDSA-N 2 0 242.407 2.027 10 0 BEAERP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)OCC ZINC000629515049 361112901 /nfs/dbraw/zinc/11/29/01/361112901.db2.gz PUXIVXGGIWHSRQ-MGPQQGTHSA-N 2 0 242.407 2.169 10 0 BEAERP C[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000622044515 370677292 /nfs/dbraw/zinc/67/72/92/370677292.db2.gz IWBTWSACQVMNDR-POOIEITISA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000334591788 181342388 /nfs/dbraw/zinc/34/23/88/181342388.db2.gz RWAGIEFZNANGFI-HTAVTVPLSA-N 2 0 208.349 2.179 10 0 BEAERP [NH3+]C1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000051693884 181342538 /nfs/dbraw/zinc/34/25/38/181342538.db2.gz UWKRIOVLLJGQGW-MGULZYLOSA-N 2 0 246.354 2.239 10 0 BEAERP Cc1cc(C)cc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000074081416 541312388 /nfs/dbraw/zinc/31/23/88/541312388.db2.gz IOSQOEUPJUENIE-KBPBESRZSA-N 2 0 218.344 2.397 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@H](C)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630370017 364087050 /nfs/dbraw/zinc/08/70/50/364087050.db2.gz YJAYDCHHHZHORS-RDBSUJKOSA-N 2 0 242.407 2.107 10 0 BEAERP Cc1cccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000074204359 541344308 /nfs/dbraw/zinc/34/43/08/541344308.db2.gz LVJRACXGEULFOF-OLZOCXBDSA-N 2 0 204.317 2.089 10 0 BEAERP [NH3+]CC1(N2CCc3ccccc3C2)CCCC1 ZINC000019511051 181360648 /nfs/dbraw/zinc/36/06/48/181360648.db2.gz NDAXGKVRZIMZSO-UHFFFAOYSA-N 2 0 230.355 2.316 10 0 BEAERP Cc1[nH+]ccc(N2C[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000630554187 364250340 /nfs/dbraw/zinc/25/03/40/364250340.db2.gz OSRXPNOZOPZYRZ-PSASIEDQSA-N 2 0 239.750 2.074 10 0 BEAERP [NH3+]CC1(C[NH+]2CCCCC2)CCCCC1 ZINC000049814813 181359505 /nfs/dbraw/zinc/35/95/05/181359505.db2.gz VHCDRFXCZAFKKG-UHFFFAOYSA-N 2 0 210.365 2.382 10 0 BEAERP Cc1[nH+]ccc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1Cl ZINC000630533140 364224642 /nfs/dbraw/zinc/22/46/42/364224642.db2.gz NMHXUVXKQFIGKF-WCBMZHEXSA-N 2 0 239.750 2.018 10 0 BEAERP C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C[NH2+]1 ZINC000630535739 364231047 /nfs/dbraw/zinc/23/10/47/364231047.db2.gz ZMLXRFOZTCIYBW-NWDGAFQWSA-N 2 0 241.338 2.209 10 0 BEAERP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000573830848 364927260 /nfs/dbraw/zinc/92/72/60/364927260.db2.gz MUHIGRQFCISIOV-NDBYEHHHSA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]CCCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036809588 181376292 /nfs/dbraw/zinc/37/62/92/181376292.db2.gz ABKZHWMVHLQCIZ-STQMWFEESA-N 2 0 210.365 2.237 10 0 BEAERP [NH3+]CCC[N@H+](Cc1ccncc1)C1CCCC1 ZINC000034960484 181379618 /nfs/dbraw/zinc/37/96/18/181379618.db2.gz XOWBCNMTBNLYMS-UHFFFAOYSA-N 2 0 233.359 2.175 10 0 BEAERP [NH3+]CC[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000077304318 181406265 /nfs/dbraw/zinc/40/62/65/181406265.db2.gz BEYXREZGDWSNAX-GFCCVEGCSA-N 2 0 210.365 2.380 10 0 BEAERP C[C@@H]1C[C@H]([N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000675056246 541462431 /nfs/dbraw/zinc/46/24/31/541462431.db2.gz NBIOJMORQJJEIV-FVCCEPFGSA-N 2 0 210.365 2.390 10 0 BEAERP C[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000581364058 367394021 /nfs/dbraw/zinc/39/40/21/367394021.db2.gz PGKAJYMAMRCLAA-GHMZBOCLSA-N 2 0 234.334 2.400 10 0 BEAERP C[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000581364061 367394121 /nfs/dbraw/zinc/39/41/21/367394121.db2.gz PGKAJYMAMRCLAA-WDEREUQCSA-N 2 0 234.334 2.400 10 0 BEAERP [NH3+][C@@H]1CCOc2c(C[NH+]3CCCCC3)cccc21 ZINC000168847549 368352283 /nfs/dbraw/zinc/35/22/83/368352283.db2.gz AZXFGXXDRMGEFB-CQSZACIVSA-N 2 0 246.354 2.455 10 0 BEAERP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631837390 369094100 /nfs/dbraw/zinc/09/41/00/369094100.db2.gz RZXVYIYBLMLVIM-DOMZBBRYSA-N 2 0 232.371 2.276 10 0 BEAERP C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000631838115 369116902 /nfs/dbraw/zinc/11/69/02/369116902.db2.gz JCFAJTAOGPHUTK-AAEUAGOBSA-N 2 0 244.338 2.459 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)[C@@H]1CC[NH2+]C1 ZINC000400102766 369342202 /nfs/dbraw/zinc/34/22/02/369342202.db2.gz GUNUYIKGJXYSNE-HTXSYXIBSA-N 2 0 236.403 2.400 10 0 BEAERP [NH3+][C@@H]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000070503043 181580448 /nfs/dbraw/zinc/58/04/48/181580448.db2.gz HBVSKAPPYDHRJZ-CHWSQXEVSA-N 2 0 210.365 2.380 10 0 BEAERP [NH3+][C@@H]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000070503044 181583425 /nfs/dbraw/zinc/58/34/25/181583425.db2.gz HBVSKAPPYDHRJZ-QWHCGFSZSA-N 2 0 210.365 2.380 10 0 BEAERP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000631837060 372627732 /nfs/dbraw/zinc/62/77/32/372627732.db2.gz MJDFPDORDOBHLL-UTUOFQBUSA-N 2 0 212.381 2.195 10 0 BEAERP C[C@H]1C[N@H+](CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000631839946 372636849 /nfs/dbraw/zinc/63/68/49/372636849.db2.gz NEVFXQZDWVQKFL-AAEUAGOBSA-N 2 0 210.365 2.093 10 0 BEAERP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839370 372637014 /nfs/dbraw/zinc/63/70/14/372637014.db2.gz FPLXSOGBFIQVLW-MDZLAQPJSA-N 2 0 236.334 2.413 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000039375627 372955359 /nfs/dbraw/zinc/95/53/59/372955359.db2.gz ZRFTWJWAWCDYRI-SECBINFHSA-N 2 0 218.222 2.054 10 0 BEAERP CC(C)([NH3+])CCC[NH2+]Cc1ccccc1 ZINC000069634611 373562113 /nfs/dbraw/zinc/56/21/13/373562113.db2.gz JMYJXUFFUOFIKN-UHFFFAOYSA-N 2 0 206.333 2.294 10 0 BEAERP CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069797047 373807765 /nfs/dbraw/zinc/80/77/65/373807765.db2.gz QLFKYTPQXNLPEE-GXSJLCMTSA-N 2 0 210.346 2.090 10 0 BEAERP CCCC[C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744474 169002304 /nfs/dbraw/zinc/00/23/04/169002304.db2.gz LCCDZUNZSIWGOF-CQSZACIVSA-N 2 0 243.439 2.024 10 0 BEAERP CCCC[C@H]([NH3+])C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689444 169009351 /nfs/dbraw/zinc/00/93/51/169009351.db2.gz JJGIMHFNXHZNQU-JSGCOSHPSA-N 2 0 242.407 2.251 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073655950 169206280 /nfs/dbraw/zinc/20/62/80/169206280.db2.gz XQLAIQKDMNUQBO-QWHCGFSZSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[NH2+]CC(C)(C)C[N@H+](CC)[C@H](C)COC ZINC000051250777 169256216 /nfs/dbraw/zinc/25/62/16/169256216.db2.gz QRFJRFRCWSBUND-CYBMUJFWSA-N 2 0 244.423 2.369 10 0 BEAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052541011 169256657 /nfs/dbraw/zinc/25/66/57/169256657.db2.gz QIJDTYKEJJNQIR-KGLIPLIRSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)CCC)CCOC1 ZINC000051214832 169263748 /nfs/dbraw/zinc/26/37/48/169263748.db2.gz DIWSFSVCKPBSLN-CQSZACIVSA-N 2 0 242.407 2.125 10 0 BEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CC(C)C)O1 ZINC000052452816 169264937 /nfs/dbraw/zinc/26/49/37/169264937.db2.gz LNPBERLHCJEFHU-ZIAGYGMSSA-N 2 0 242.407 2.121 10 0 BEAERP c1ccc(CC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020128955 183392771 /nfs/dbraw/zinc/39/27/71/183392771.db2.gz MFGYWSRWGKATCK-UHFFFAOYSA-N 2 0 232.371 2.305 10 0 BEAERP c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408334 183392834 /nfs/dbraw/zinc/39/28/34/183392834.db2.gz OIBZNNHEOJJCBG-HNNXBMFYSA-N 2 0 244.382 2.303 10 0 BEAERP c1ccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408335 183393932 /nfs/dbraw/zinc/39/39/32/183393932.db2.gz OIBZNNHEOJJCBG-OAHLLOKOSA-N 2 0 244.382 2.303 10 0 BEAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)C1CC1 ZINC000052445271 169268474 /nfs/dbraw/zinc/26/84/74/169268474.db2.gz NNKSGFXHBAUQQF-UHFFFAOYSA-N 2 0 222.332 2.373 10 0 BEAERP c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000082346762 183399619 /nfs/dbraw/zinc/39/96/19/183399619.db2.gz AIXYZOFSNKRARQ-CABCVRRESA-N 2 0 230.355 2.261 10 0 BEAERP CCCO[C@H]1CCC[N@H+](CCCC[NH2+]CC)C1 ZINC000052371476 169312120 /nfs/dbraw/zinc/31/21/20/169312120.db2.gz JAAUCXSKBIQWDP-AWEZNQCLSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[C@@H]([NH3+])[C@@H](CC)N(C)Cc1cccnc1 ZINC000036771084 169392844 /nfs/dbraw/zinc/39/28/44/169392844.db2.gz DKDKAAWNFCYONW-ZIAGYGMSSA-N 2 0 235.375 2.419 10 0 BEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226858732 134370255 /nfs/dbraw/zinc/37/02/55/134370255.db2.gz VFTKUGRNJDBQKJ-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP Cc1c[nH+]ccc1N(C)CC[C@@H]([NH3+])C(C)C ZINC000227737816 134385373 /nfs/dbraw/zinc/38/53/73/134385373.db2.gz YTVOIQLWYSTORM-GFCCVEGCSA-N 2 0 221.348 2.200 10 0 BEAERP [NH3+]C[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000068591152 384002525 /nfs/dbraw/zinc/00/25/25/384002525.db2.gz OCTFQZCEZPAXSY-OCCSQVGLSA-N 2 0 236.334 2.085 10 0 BEAERP CS[C@@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336460623 383951442 /nfs/dbraw/zinc/95/14/42/383951442.db2.gz OMKRDNQHACRNCX-CHWSQXEVSA-N 2 0 242.432 2.204 10 0 BEAERP C[N@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]CC1 ZINC000302315796 384141422 /nfs/dbraw/zinc/14/14/22/384141422.db2.gz BSXGTXXWHUMIPC-NWDGAFQWSA-N 2 0 246.345 2.496 10 0 BEAERP c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]C1)C=[NH+]2 ZINC000095080080 384357576 /nfs/dbraw/zinc/35/75/76/384357576.db2.gz DRPDMFVVCRODTA-GFCCVEGCSA-N 2 0 229.327 2.162 10 0 BEAERP CCC[C@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000300369475 384703171 /nfs/dbraw/zinc/70/31/71/384703171.db2.gz RHCLBWFLCMCPKE-WYTNZGFTSA-N 2 0 222.376 2.390 10 0 BEAERP C1CC([NH+]2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000084309910 384860266 /nfs/dbraw/zinc/86/02/66/384860266.db2.gz LROBDXNVZFCHGC-UHFFFAOYSA-N 2 0 208.349 2.005 10 0 BEAERP CCc1ccc([C@H](C)[NH2+]CCC[NH3+])s1 ZINC000044376622 385203144 /nfs/dbraw/zinc/20/31/44/385203144.db2.gz NYKMOCOQOIQSDP-VIFPVBQESA-N 2 0 212.362 2.310 10 0 BEAERP CCN1CCC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178472744 385286202 /nfs/dbraw/zinc/28/62/02/385286202.db2.gz KJLAUFJWZIBWII-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP C[NH+]1CCC([C@@H]([NH3+])c2ccsc2)CC1 ZINC000169726688 385418738 /nfs/dbraw/zinc/41/87/38/385418738.db2.gz OWQANEUNUWOPAH-LLVKDONJSA-N 2 0 210.346 2.090 10 0 BEAERP CCSCC[NH2+]CCC1CC[NH+](C)CC1 ZINC000122646910 385706216 /nfs/dbraw/zinc/70/62/16/385706216.db2.gz RMLWJPZSSYGCCI-UHFFFAOYSA-N 2 0 230.421 2.061 10 0 BEAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336692496 385733874 /nfs/dbraw/zinc/73/38/74/385733874.db2.gz HUZKCMUFBBYMAW-UONOGXRCSA-N 2 0 243.439 2.070 10 0 BEAERP Cc1ccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)s1 ZINC000062912300 386654698 /nfs/dbraw/zinc/65/46/98/386654698.db2.gz PLNSMMSEMSVYSY-LBPRGKRZSA-N 2 0 224.373 2.146 10 0 BEAERP C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000335007126 387101230 /nfs/dbraw/zinc/10/12/30/387101230.db2.gz FKRCJPKDEQGJDH-NEPJUHHUSA-N 2 0 222.376 2.297 10 0 BEAERP Cc1cc(Cl)ccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575437846 387111418 /nfs/dbraw/zinc/11/14/18/387111418.db2.gz AOPHUTKTKIVSDA-NSHDSACASA-N 2 0 212.724 2.387 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cccc2[nH]ccc21 ZINC000575437903 387113486 /nfs/dbraw/zinc/11/34/86/387113486.db2.gz BDYHKMDUBRPURR-LBPRGKRZSA-N 2 0 217.316 2.297 10 0 BEAERP FC1(F)CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000335026516 387118883 /nfs/dbraw/zinc/11/88/83/387118883.db2.gz OXWMMBSWULLFKD-JTQLQIEISA-N 2 0 232.318 2.296 10 0 BEAERP Cc1cc([C@@H]([NH3+])CCCC[NH3+])cc(C)c1O ZINC000575439563 387123130 /nfs/dbraw/zinc/12/31/30/387123130.db2.gz HGXIZTJKOQXPSO-LBPRGKRZSA-N 2 0 222.332 2.138 10 0 BEAERP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335030039 387124273 /nfs/dbraw/zinc/12/42/73/387124273.db2.gz OTBFFQUZKAVJLU-QWRGUYRKSA-N 2 0 232.318 2.154 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])c(F)c1F ZINC000575439720 387125820 /nfs/dbraw/zinc/12/58/20/387125820.db2.gz VCDDOKSROQAWOE-SNVBAGLBSA-N 2 0 228.286 2.402 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000575440100 387127179 /nfs/dbraw/zinc/12/71/79/387127179.db2.gz UQOLLKVZNZMZFH-SNVBAGLBSA-N 2 0 228.723 2.174 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(F)c1Cl ZINC000575440458 387135696 /nfs/dbraw/zinc/13/56/96/387135696.db2.gz WJAPWDZLWHDFLV-VIFPVBQESA-N 2 0 216.687 2.218 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000643453662 387370794 /nfs/dbraw/zinc/37/07/94/387370794.db2.gz QBXJJJVHKCSINS-CFVMTHIKSA-N 2 0 244.382 2.304 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000643453664 387371376 /nfs/dbraw/zinc/37/13/76/387371376.db2.gz QBXJJJVHKCSINS-QEJZJMRPSA-N 2 0 244.382 2.304 10 0 BEAERP CC(C)[NH2+]CCCNc1cc[nH+]c2ccccc12 ZINC000516030154 387448329 /nfs/dbraw/zinc/44/83/29/387448329.db2.gz PKLWRIHOHGGKJP-UHFFFAOYSA-N 2 0 243.354 2.457 10 0 BEAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000643468259 387419407 /nfs/dbraw/zinc/41/94/07/387419407.db2.gz AZPXXAVLQURTEW-UPJWGTAASA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H](CCCC[NH3+])[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000423113004 387895175 /nfs/dbraw/zinc/89/51/75/387895175.db2.gz YADPOBAMIAMDTQ-JHJVBQTASA-N 2 0 242.407 2.297 10 0 BEAERP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000400482575 387973550 /nfs/dbraw/zinc/97/35/50/387973550.db2.gz GBPRQIQKBSRMAP-MAZHCROVSA-N 2 0 244.382 2.132 10 0 BEAERP C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@H]1CC[NH2+]C1 ZINC000400508111 387986498 /nfs/dbraw/zinc/98/64/98/387986498.db2.gz KQLSCCDGWRNCHE-ASUPZPJHSA-N 2 0 222.376 2.153 10 0 BEAERP CN1CCCC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000250556857 388177210 /nfs/dbraw/zinc/17/72/10/388177210.db2.gz BGMKFAOTMVIHHI-ONGXEEELSA-N 2 0 210.346 2.232 10 0 BEAERP Cc1ccccc1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400328523 388116637 /nfs/dbraw/zinc/11/66/37/388116637.db2.gz BCNWOPJALMFQLV-UKRRQHHQSA-N 2 0 232.371 2.125 10 0 BEAERP C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310322681 388480921 /nfs/dbraw/zinc/48/09/21/388480921.db2.gz XPCNPADICOQYSQ-YRGRVCCFSA-N 2 0 233.359 2.059 10 0 BEAERP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400473317 533445291 /nfs/dbraw/zinc/44/52/91/533445291.db2.gz YVKBGCLNWFLNOH-RKDXNWHRSA-N 2 0 244.791 2.489 10 0 BEAERP CC[C@H]1CN(c2cc[nH+]cc2C)[C@@H](CC)C[NH2+]1 ZINC000083360304 132422404 /nfs/dbraw/zinc/42/24/04/132422404.db2.gz CAPIHOGFNYURMB-STQMWFEESA-N 2 0 233.359 2.357 10 0 BEAERP FC(F)(F)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168778035 134247887 /nfs/dbraw/zinc/24/78/87/134247887.db2.gz JTRNGXPKJGDGSU-VIFPVBQESA-N 2 0 224.270 2.061 10 0 BEAERP C1CC1N1CCC[C@@H]2C[N@@H+](C3CCC3)CC[C@@H]21 ZINC000179587060 134322306 /nfs/dbraw/zinc/32/23/06/134322306.db2.gz IJMIXASKKHRQSM-DOMZBBRYSA-N 2 0 234.387 2.488 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252728708 135102872 /nfs/dbraw/zinc/10/28/72/135102872.db2.gz CKUZDPSZJNLYIS-MQYQWHSLSA-N 2 0 222.376 2.391 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000252732458 135104422 /nfs/dbraw/zinc/10/44/22/135104422.db2.gz VDUPWUSEVQNAQH-SYQHCUMBSA-N 2 0 224.392 2.495 10 0 BEAERP CC1(C)C[N@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000258899943 135135499 /nfs/dbraw/zinc/13/54/99/135135499.db2.gz UTYBLCUFIPRDGK-NSHDSACASA-N 2 0 224.373 2.307 10 0 BEAERP CC1CCC(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000084339657 135210555 /nfs/dbraw/zinc/21/05/55/135210555.db2.gz SPFWUHOXAFEVFU-JXQTWKCFSA-N 2 0 224.392 2.483 10 0 BEAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccn1 ZINC000051692991 398057252 /nfs/dbraw/zinc/05/72/52/398057252.db2.gz LKAWIXXLVZSGCR-UNXYVOJBSA-N 2 0 219.332 2.002 10 0 BEAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)[NH3+])c1 ZINC000258702233 322875368 /nfs/dbraw/zinc/87/53/68/322875368.db2.gz GWRJIYKQJLOPRC-GFCCVEGCSA-N 2 0 206.333 2.130 10 0 BEAERP Cc1ccc(C[NH2+]CC[C@@H](C)[NH3+])c(C)c1 ZINC000258709720 322875228 /nfs/dbraw/zinc/87/52/28/322875228.db2.gz HQQLSNLMDVJGDN-GFCCVEGCSA-N 2 0 206.333 2.130 10 0 BEAERP CC(C)[NH2+]Cc1cc(C[NH+]2CCCCC2)on1 ZINC000052421223 167117605 /nfs/dbraw/zinc/11/76/05/167117605.db2.gz FJDDUSMDUCERCO-UHFFFAOYSA-N 2 0 237.347 2.159 10 0 BEAERP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394486495 410795155 /nfs/dbraw/zinc/79/51/55/410795155.db2.gz HSMDQQVNBRFMAU-SRVKXCTJSA-N 2 0 246.345 2.481 10 0 BEAERP CC(C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019067 167003209 /nfs/dbraw/zinc/00/32/09/167003209.db2.gz NXJAUMURBJRHJU-YHWZYXNKSA-N 2 0 210.365 2.105 10 0 BEAERP CC(C)C[NH2+]C[C@@H](C)CN(C)Cc1ccncc1 ZINC000052480904 167005534 /nfs/dbraw/zinc/00/55/34/167005534.db2.gz ZNBIRGAVWSMEAO-CQSZACIVSA-N 2 0 249.402 2.395 10 0 BEAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309671631 167030220 /nfs/dbraw/zinc/03/02/20/167030220.db2.gz KAHLJCRYRDGSKN-UPJWGTAASA-N 2 0 224.392 2.493 10 0 BEAERP CC(C)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309330723 167030699 /nfs/dbraw/zinc/03/06/99/167030699.db2.gz HSQMEUJGSITHIQ-JHJVBQTASA-N 2 0 242.432 2.058 10 0 BEAERP CC(C)[NH2+]CC(C)(C)C[N@H+](C)C1CCOCC1 ZINC000051218285 167097640 /nfs/dbraw/zinc/09/76/40/167097640.db2.gz RZENJECIBXBLPH-UHFFFAOYSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)[NH2+]CCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043427997 167102614 /nfs/dbraw/zinc/10/26/14/167102614.db2.gz QGFFJJQDFVWZAI-UONOGXRCSA-N 2 0 240.391 2.018 10 0 BEAERP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507206 167111202 /nfs/dbraw/zinc/11/12/02/167111202.db2.gz IWZIOXULGKQASP-KGLIPLIRSA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH+](CC)CCOc1ccc([C@H](C)[NH3+])cc1 ZINC000022220096 169783016 /nfs/dbraw/zinc/78/30/16/169783016.db2.gz SPPSPVKWRNZSPR-LBPRGKRZSA-N 2 0 236.359 2.427 10 0 BEAERP CC(C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037222065 167384361 /nfs/dbraw/zinc/38/43/61/167384361.db2.gz LSHAJSYQJJEIGZ-NEPJUHHUSA-N 2 0 212.381 2.351 10 0 BEAERP c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129115096 411229998 /nfs/dbraw/zinc/22/99/98/411229998.db2.gz NEOXQYHWGPUPDI-UONOGXRCSA-N 2 0 230.355 2.058 10 0 BEAERP c1ccc2c(NCC[NH2+]C3CC3)cc[nH+]c2c1 ZINC000054267767 411263054 /nfs/dbraw/zinc/26/30/54/411263054.db2.gz YFTBNVQXZXPRSF-UHFFFAOYSA-N 2 0 227.311 2.399 10 0 BEAERP CC1([NH+]2CCC[NH2+]CCC2)CCCCC1 ZINC000045046710 168055548 /nfs/dbraw/zinc/05/55/48/168055548.db2.gz BYMPGVRBWLCMPL-UHFFFAOYSA-N 2 0 210.365 2.395 10 0 BEAERP CC1CCC([N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000044527794 168160703 /nfs/dbraw/zinc/16/07/03/168160703.db2.gz TUJROXPGECJTIT-OTTFEQOBSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503013 168182815 /nfs/dbraw/zinc/18/28/15/168182815.db2.gz RFPGOHNYRIPBOP-STQMWFEESA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+]([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037156828 168186849 /nfs/dbraw/zinc/18/68/49/168186849.db2.gz IYJQXUBLPSMLQW-QWHCGFSZSA-N 2 0 210.365 2.236 10 0 BEAERP CC[NH2+]CCC1C[NH+](Cc2ccccc2)C1 ZINC000095091558 170111871 /nfs/dbraw/zinc/11/18/71/170111871.db2.gz UWFUQTDERZFOMF-UHFFFAOYSA-N 2 0 218.344 2.118 10 0 BEAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382036 170120919 /nfs/dbraw/zinc/12/09/19/170120919.db2.gz VDIUHXADJIVSBD-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543811 170126891 /nfs/dbraw/zinc/12/68/91/170126891.db2.gz AUNAGJKTBITHQK-NWDGAFQWSA-N 2 0 234.343 2.373 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](CC)CCOCC ZINC000104190884 170150628 /nfs/dbraw/zinc/15/06/28/170150628.db2.gz KWPLJDWRAPAYKO-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000060720682 170150689 /nfs/dbraw/zinc/15/06/89/170150689.db2.gz VBORMLQNBVKEGY-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+][C@H]1CC[N@@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713708 170167026 /nfs/dbraw/zinc/16/70/26/170167026.db2.gz OVEFFKQXTGBDAM-FZMZJTMJSA-N 2 0 236.403 2.495 10 0 BEAERP CCOC1CC[NH+]([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000052484129 170332584 /nfs/dbraw/zinc/33/25/84/170332584.db2.gz VEVWCKPAFGWCRS-ZDUSSCGKSA-N 2 0 242.407 2.264 10 0 BEAERP C[N@H+](CC1CC=CC1)[C@@H]1CCC[NH2+]CC1 ZINC000662265438 412056703 /nfs/dbraw/zinc/05/67/03/412056703.db2.gz AMEOZQYKEUTOEK-CYBMUJFWSA-N 2 0 208.349 2.027 10 0 BEAERP CC[C@@H]1CC[N@H+](CC2CCC2)C[C@H](C)C[NH2+]1 ZINC000049665861 171007854 /nfs/dbraw/zinc/00/78/54/171007854.db2.gz WUMSNNNLLBBFRC-TZMCWYRMSA-N 2 0 224.392 2.497 10 0 BEAERP CC[C@@H]1CC[NH2+][C@@H]1CC[NH+]1CCCCC1 ZINC000003733138 171026777 /nfs/dbraw/zinc/02/67/77/171026777.db2.gz QGECHVVAUZNJDW-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP CC[C@@H]1COCC[N@@H+]1CCCC[NH2+]CC(C)C ZINC000052481361 171105973 /nfs/dbraw/zinc/10/59/73/171105973.db2.gz FNFMMERABDAZIH-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@@H]1COCC[N@@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052481575 171108602 /nfs/dbraw/zinc/10/86/02/171108602.db2.gz BDCYWOHCTRWSDS-GXTWGEPZSA-N 2 0 240.391 2.018 10 0 BEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000036128045 171109749 /nfs/dbraw/zinc/10/97/49/171109749.db2.gz VAHRTNYUNCWIPU-SWLSCSKDSA-N 2 0 248.370 2.145 10 0 BEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000036128093 171110223 /nfs/dbraw/zinc/11/02/23/171110223.db2.gz IZPNOQXRZSJTGH-SWLSCSKDSA-N 2 0 248.370 2.145 10 0 BEAERP CC[C@H](C)C[C@](CC)(C[NH3+])N(C)CC[NH+](C)C ZINC000104187009 171299653 /nfs/dbraw/zinc/29/96/53/171299653.db2.gz JWSUKMPMYDBUQL-UONOGXRCSA-N 2 0 243.439 2.024 10 0 BEAERP CC[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000665238111 412178449 /nfs/dbraw/zinc/17/84/49/412178449.db2.gz QXNHFVDSIFILJJ-AVGNSLFASA-N 2 0 212.381 2.400 10 0 BEAERP C[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CCC[NH2+]C1 ZINC000665261704 412204151 /nfs/dbraw/zinc/20/41/51/412204151.db2.gz JWQOWITXRZHGER-WDEREUQCSA-N 2 0 216.344 2.102 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000665263570 412207860 /nfs/dbraw/zinc/20/78/60/412207860.db2.gz PJQPXDANZQMIGL-NDKCEZKHSA-N 2 0 222.376 2.010 10 0 BEAERP C(C[NH2+][C@H]1CCC[NH2+]CC1)CC1CCC1 ZINC000665267564 412210359 /nfs/dbraw/zinc/21/03/59/412210359.db2.gz YPWCTVTYALFUCC-ZDUSSCGKSA-N 2 0 210.365 2.298 10 0 BEAERP CCn1cccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000091127744 172207175 /nfs/dbraw/zinc/20/71/75/172207175.db2.gz DDXUDWKMLGCWST-CQSZACIVSA-N 2 0 249.402 2.330 10 0 BEAERP C[NH+]1CCC([C@H]([NH3+])c2cccs2)CC1 ZINC000077304302 173000281 /nfs/dbraw/zinc/00/02/81/173000281.db2.gz CCKSRDNMDRAWOW-NSHDSACASA-N 2 0 210.346 2.090 10 0 BEAERP C[N@@H+]1CCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC000034017283 173052288 /nfs/dbraw/zinc/05/22/88/173052288.db2.gz BOMGTDONYIEQMW-AWEZNQCLSA-N 2 0 218.344 2.261 10 0 BEAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(C)(F)F)C2)C1 ZINC000336268476 173139893 /nfs/dbraw/zinc/13/98/93/173139893.db2.gz SOMJEPLFNIIJAN-GFCCVEGCSA-N 2 0 232.318 2.059 10 0 BEAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(C)(F)F)C2)C1 ZINC000336268477 173168507 /nfs/dbraw/zinc/16/85/07/173168507.db2.gz SOMJEPLFNIIJAN-LBPRGKRZSA-N 2 0 232.318 2.059 10 0 BEAERP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC1CC1)C2 ZINC000083847011 173205545 /nfs/dbraw/zinc/20/55/45/173205545.db2.gz NMXBIFCJCQQITD-YHWZYXNKSA-N 2 0 208.349 2.001 10 0 BEAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC(C)(C)C)C2 ZINC000040492776 173207477 /nfs/dbraw/zinc/20/74/77/173207477.db2.gz VNILNLNNHYLYEX-YOGCLGLASA-N 2 0 210.365 2.247 10 0 BEAERP C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000037241968 173323786 /nfs/dbraw/zinc/32/37/86/173323786.db2.gz WDJGHEOGTJJGHC-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083008630 173358344 /nfs/dbraw/zinc/35/83/44/173358344.db2.gz POVGHOFEDXLJDF-CQSZACIVSA-N 2 0 218.344 2.118 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012853 173380671 /nfs/dbraw/zinc/38/06/71/173380671.db2.gz KBVVCOSVNXEQFB-OTTFEQOBSA-N 2 0 210.365 2.106 10 0 BEAERP C[NH2+]Cc1c2ccccc2oc1C[NH+](C)C ZINC000052422800 173385291 /nfs/dbraw/zinc/38/52/91/173385291.db2.gz GILNQVDFRXGLFT-UHFFFAOYSA-N 2 0 218.300 2.214 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@H](C)C2)c(C)o1 ZINC000052484654 173387090 /nfs/dbraw/zinc/38/70/90/173387090.db2.gz QVQJPTNLOOQDCW-JTQLQIEISA-N 2 0 222.332 2.149 10 0 BEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)on1 ZINC000052504412 173387099 /nfs/dbraw/zinc/38/70/99/173387099.db2.gz KLPWEIAMPJJNBQ-SNVBAGLBSA-N 2 0 239.363 2.260 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@@H](C)C2)c(C)o1 ZINC000052484656 173387198 /nfs/dbraw/zinc/38/71/98/173387198.db2.gz QVQJPTNLOOQDCW-SNVBAGLBSA-N 2 0 222.332 2.149 10 0 BEAERP C[NH2+]Cc1oc(C[NH+]2CCCCC2)cc1C ZINC000052421364 173399648 /nfs/dbraw/zinc/39/96/48/173399648.db2.gz PDBVQQBXETZMPB-UHFFFAOYSA-N 2 0 222.332 2.293 10 0 BEAERP COC1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037265711 174030645 /nfs/dbraw/zinc/03/06/45/174030645.db2.gz FIRASDISUBELDJ-TZMCWYRMSA-N 2 0 240.391 2.005 10 0 BEAERP COCCC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000037753576 174222993 /nfs/dbraw/zinc/22/29/93/174222993.db2.gz NNURIOABYIQUSM-UHFFFAOYSA-N 2 0 242.407 2.397 10 0 BEAERP COCC[N@H+](C1CC1)C1(C[NH3+])CCCCCC1 ZINC000042517886 174284608 /nfs/dbraw/zinc/28/46/08/174284608.db2.gz FXCPDGVAHFZFBY-UHFFFAOYSA-N 2 0 240.391 2.149 10 0 BEAERP COCC[N@H+](CCCC[NH2+]C(C)(C)C)C1CC1 ZINC000052542347 174290687 /nfs/dbraw/zinc/29/06/87/174290687.db2.gz YLBKDUXXCUEPEB-UHFFFAOYSA-N 2 0 242.407 2.266 10 0 BEAERP COc1ccc(C[NH3+])cc1C[NH+]1CCCCC1 ZINC000022200871 175097064 /nfs/dbraw/zinc/09/70/64/175097064.db2.gz NQNPFBNGRHDQJY-UHFFFAOYSA-N 2 0 234.343 2.140 10 0 BEAERP COc1cccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC000082341619 175258255 /nfs/dbraw/zinc/25/82/55/175258255.db2.gz NGNPPCCBPSOYND-ZDUSSCGKSA-N 2 0 234.343 2.008 10 0 BEAERP COc1cccc([C@H](CC[NH3+])C[NH+]2CCCC2)c1 ZINC000076634834 175294505 /nfs/dbraw/zinc/29/45/05/175294505.db2.gz RAHOYZRKTJDHED-CQSZACIVSA-N 2 0 248.370 2.223 10 0 BEAERP C[C@@H](c1ccccc1)[N@H+](C)CCCC[NH3+] ZINC000049813583 176020950 /nfs/dbraw/zinc/02/09/50/176020950.db2.gz XFWUPIBDJSXDJL-LBPRGKRZSA-N 2 0 206.333 2.418 10 0 BEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)C1(CN)CCOCC1 ZINC000042606717 176078041 /nfs/dbraw/zinc/07/80/41/176078041.db2.gz NWYUYCAJYRMMJT-OLZOCXBDSA-N 2 0 240.391 2.005 10 0 BEAERP C[C@@H]1CCCC[C@]1(CN)[N@@H+]1CCCSCC1 ZINC000042443614 176089931 /nfs/dbraw/zinc/08/99/31/176089931.db2.gz DJCVHWGKHFTUOL-CHWSQXEVSA-N 2 0 242.432 2.333 10 0 BEAERP C[C@@H]1CCC[N@@H+](C2CCC([NH3+])CC2)[C@@H]1C ZINC000055144675 176096987 /nfs/dbraw/zinc/09/69/87/176096987.db2.gz LVZBVVSRPGNKFV-OKZRHMCRSA-N 2 0 210.365 2.377 10 0 BEAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081458 176099064 /nfs/dbraw/zinc/09/90/64/176099064.db2.gz ROEZKSQLMWMKKZ-AGIUHOORSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2occc2C[NH3+])[C@@H]1C ZINC000052373318 176103300 /nfs/dbraw/zinc/10/33/00/176103300.db2.gz OUINUMFZGWQVJF-GHMZBOCLSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000037910133 176109173 /nfs/dbraw/zinc/10/91/73/176109173.db2.gz GRGNXXPXOFCZLI-TZMCWYRMSA-N 2 0 218.344 2.213 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000037910045 176110331 /nfs/dbraw/zinc/11/03/31/176110331.db2.gz FQBIDFQQCKDJRA-LLVKDONJSA-N 2 0 204.317 2.130 10 0 BEAERP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCC[C@@H]1[NH3+] ZINC000058058430 176116182 /nfs/dbraw/zinc/11/61/82/176116182.db2.gz IUZAKXVLAMMAOF-NDBYEHHHSA-N 2 0 210.365 2.377 10 0 BEAERP C[C@@H]1CCC[C@H]([N@@H+]2CCCN[C@H](C)C2)C1 ZINC000062570378 176140302 /nfs/dbraw/zinc/14/03/02/176140302.db2.gz DSANCQKOGOSTQV-UPJWGTAASA-N 2 0 210.365 2.249 10 0 BEAERP C[C@@H]1CC[NH+](CCc2ccccn2)CC[C@@H](C)[NH2+]1 ZINC000049666551 176170907 /nfs/dbraw/zinc/17/09/07/176170907.db2.gz CINGFDBWDRQKMH-ZIAGYGMSSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2occc2C[NH3+])[C@H](C)C1 ZINC000052509992 176179254 /nfs/dbraw/zinc/17/92/54/176179254.db2.gz LYNDXDOLHBKPAN-GHMZBOCLSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@@H]1CC[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055023089 176179979 /nfs/dbraw/zinc/17/99/79/176179979.db2.gz XETMMTVEQOMZNJ-YPMHNXCESA-N 2 0 231.343 2.396 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000042427376 176202819 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C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cccc(F)c1 ZINC000049711363 176370535 /nfs/dbraw/zinc/37/05/35/176370535.db2.gz XGKLTGZLTJZDDX-RISCZKNCSA-N 2 0 236.334 2.180 10 0 BEAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC1CCCCC1 ZINC000104436815 176370828 /nfs/dbraw/zinc/37/08/28/176370828.db2.gz FBCAZTYABKPMIJ-OLZOCXBDSA-N 2 0 240.391 2.147 10 0 BEAERP C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000104417801 176391899 /nfs/dbraw/zinc/39/18/99/176391899.db2.gz TYSPICQPHWJRSZ-ZWNOBZJWSA-N 2 0 231.343 2.058 10 0 BEAERP C[C@H](c1ccc(N)cc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071187845 177034403 /nfs/dbraw/zinc/03/44/03/177034403.db2.gz CVCYWZXLXHMQST-CHWSQXEVSA-N 2 0 247.386 2.213 10 0 BEAERP C[C@H](c1cccs1)[N@H+](C)C1CC[NH2+]CC1 ZINC000043501209 177048699 /nfs/dbraw/zinc/04/86/99/177048699.db2.gz MXGGFLPDFFIGDR-SNVBAGLBSA-N 2 0 224.373 2.493 10 0 BEAERP C[C@H](c1cccs1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256720 177049511 /nfs/dbraw/zinc/04/95/11/177049511.db2.gz XZDHMSCIVWBHAY-ZJUUUORDSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@H](c1nccs1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000086701693 177054417 /nfs/dbraw/zinc/05/44/17/177054417.db2.gz YXWZABUMFGYPHJ-SNVBAGLBSA-N 2 0 239.388 2.136 10 0 BEAERP C[C@H]1CCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000051205608 177108771 /nfs/dbraw/zinc/10/87/71/177108771.db2.gz GZJIBNFVKQZHSU-LBPRGKRZSA-N 2 0 210.365 2.380 10 0 BEAERP C[C@H]1CC[NH+](C2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049664896 177157344 /nfs/dbraw/zinc/15/73/44/177157344.db2.gz CEESMZWRVLGDIL-RYUDHWBXSA-N 2 0 210.365 2.391 10 0 BEAERP C[C@@H]1CC[N@@H+](CCc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666548 177161693 /nfs/dbraw/zinc/16/16/93/177161693.db2.gz CINGFDBWDRQKMH-OKILXGFUSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000049664190 177165321 /nfs/dbraw/zinc/16/53/21/177165321.db2.gz UPEMOVGXUYJDBR-ZDUSSCGKSA-N 2 0 218.344 2.261 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CC(C)(C)C)C1 ZINC000049667094 177284966 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210.365 2.393 10 0 BEAERP CCOCCCN1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757125357 582499978 /nfs/dbraw/zinc/49/99/78/582499978.db2.gz DJJZTJPTLJMUDT-ZIAGYGMSSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128196 582503001 /nfs/dbraw/zinc/50/30/01/582503001.db2.gz JMVFACMNFOHGFJ-GXTWGEPZSA-N 2 0 222.376 2.251 10 0 BEAERP C(C[N@@H+]1CCCC12CC[NH2+]CC2)C1CCC1 ZINC000757127932 582503392 /nfs/dbraw/zinc/50/33/92/582503392.db2.gz IDZGISUXMBMCOV-UHFFFAOYSA-N 2 0 222.376 2.395 10 0 BEAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400501075 533840246 /nfs/dbraw/zinc/84/02/46/533840246.db2.gz IOUFJYBEMJHDQR-GXTWGEPZSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400701000 533916101 /nfs/dbraw/zinc/91/61/01/533916101.db2.gz KEDLEBVNBWYSLE-JQWIXIFHSA-N 2 0 238.762 2.428 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400521982 534001133 /nfs/dbraw/zinc/00/11/33/534001133.db2.gz 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210.346 2.138 10 0 BEAERP [NH3+]CC[C@H]1CC[C@@H](c2cccs2)[NH2+]C1 ZINC000757216813 586441414 /nfs/dbraw/zinc/44/14/14/586441414.db2.gz QDGWVVXDSUOGIU-ZJUUUORDSA-N 2 0 210.346 2.138 10 0 BEAERP C[C@@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216514 586441440 /nfs/dbraw/zinc/44/14/40/586441440.db2.gz QAIMKJKSEOXSTN-MFKMUULPSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccccc2)[NH2+]1 ZINC000757217412 586441526 /nfs/dbraw/zinc/44/15/26/586441526.db2.gz RTWUVJCFIAWECV-RAIGVLPGSA-N 2 0 204.317 2.075 10 0 BEAERP C[C@@H]1CC(c2cccc(C[NH3+])c2)C[C@@H](C)[NH2+]1 ZINC000757220708 586442395 /nfs/dbraw/zinc/44/23/95/586442395.db2.gz ZHVFQKQQSUKLIX-GHMZBOCLSA-N 2 0 218.344 2.389 10 0 BEAERP [NH3+]C[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220391 586442427 /nfs/dbraw/zinc/44/24/27/586442427.db2.gz YYVNISUQRPKWES-GWCFXTLKSA-N 2 0 229.327 2.167 10 0 BEAERP C[C@H]1C[C@H](c2cccc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000757233057 586443327 /nfs/dbraw/zinc/44/33/27/586443327.db2.gz 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CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231802 711691136 /nfs/dbraw/zinc/69/11/36/711691136.db2.gz BKOKHDKCWOHQRU-FVCCEPFGSA-N 2 0 210.365 2.377 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@H](C)C(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000710765681 712256160 /nfs/dbraw/zinc/25/61/60/712256160.db2.gz SCUGPKOVDFPJBL-SGMGOOAPSA-N 2 0 242.407 2.107 10 0 BEAERP [NH3+]C1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000715753954 712531646 /nfs/dbraw/zinc/53/16/46/712531646.db2.gz LQGQNEAGUZRTMZ-HTAVTVPLSA-N 2 0 228.405 2.132 10 0 BEAERP C[C@H]([NH2+]C1CCC=CCC1)[C@H]1CC[NH2+]C1 ZINC000718016403 712736647 /nfs/dbraw/zinc/73/66/47/712736647.db2.gz BDIPXOQUOXSSJZ-RYUDHWBXSA-N 2 0 208.349 2.073 10 0 BEAERP Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000724024353 711556966 /nfs/dbraw/zinc/55/69/66/711556966.db2.gz PQLMNLAZDKDREC-ZIAGYGMSSA-N 2 0 247.386 2.306 10 0 BEAERP Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000724023872 711557042 /nfs/dbraw/zinc/55/70/42/711557042.db2.gz PQLMNLAZDKDREC-UONOGXRCSA-N 2 0 247.386 2.306 10 0 BEAERP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@]12C[C@H]1CCCC2 ZINC000708865612 712202020 /nfs/dbraw/zinc/20/20/20/712202020.db2.gz JXGAEYUCKGJITN-SCRDCRAPSA-N 2 0 222.376 2.297 10 0 BEAERP C1[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000712370831 712428125 /nfs/dbraw/zinc/42/81/25/712428125.db2.gz AJHUCJPJSAXRBJ-RFQIPJPRSA-N 2 0 222.376 2.297 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000712630217 712439331 /nfs/dbraw/zinc/43/93/31/712439331.db2.gz MLDCSOGXJVKKTQ-MYPMTAMASA-N 2 0 236.403 2.400 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000712667241 712439994 /nfs/dbraw/zinc/43/99/94/712439994.db2.gz NDOWNERMCCAMIQ-GHYVTOPFSA-N 2 0 222.376 2.010 10 0 BEAERP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000712764464 712449239 /nfs/dbraw/zinc/44/92/39/712449239.db2.gz NDOWNERMCCAMIQ-ZZVYKPCYSA-N 2 0 222.376 2.010 10 0 BEAERP C[N@H+](CCCCCC[NH3+])Cc1ccccn1 ZINC000036777698 712494839 /nfs/dbraw/zinc/49/48/39/712494839.db2.gz ZTEYAXBDMGRWAP-UHFFFAOYSA-N 2 0 221.348 2.033 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H](C)CC2CC2)CC1 ZINC000714753303 712497255 /nfs/dbraw/zinc/49/72/55/712497255.db2.gz JRLFLCVJJOJKAA-NSHDSACASA-N 2 0 210.365 2.378 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H](C)CCCOC)CC1 ZINC000714753123 712497302 /nfs/dbraw/zinc/49/73/02/712497302.db2.gz HAWNJTHUZUACNJ-LBPRGKRZSA-N 2 0 228.380 2.005 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]12 ZINC000714918444 712500013 /nfs/dbraw/zinc/50/00/13/712500013.db2.gz CXNHTQZAIQPZMN-CAEXGNQWSA-N 2 0 234.387 2.092 10 0 BEAERP [NH3+]C1CCC([NH2+]CCCCC2CC2)CC1 ZINC000716413704 712559318 /nfs/dbraw/zinc/55/93/18/712559318.db2.gz STWDFNOSMOYTCO-UHFFFAOYSA-N 2 0 210.365 2.426 10 0 BEAERP C(CCC1CC1)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000716413057 712559421 /nfs/dbraw/zinc/55/94/21/712559421.db2.gz LUJOVUBPFQLZNG-ZDUSSCGKSA-N 2 0 210.365 2.298 10 0 BEAERP CC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000037478634 712647711 /nfs/dbraw/zinc/64/77/11/712647711.db2.gz YSDMFQMZNNZPHB-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C1=CCCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000718066380 712740758 /nfs/dbraw/zinc/74/07/58/712740758.db2.gz HSNNYFRVBUORLG-GFCCVEGCSA-N 2 0 208.349 2.074 10 0 BEAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713840 712749858 /nfs/dbraw/zinc/74/98/58/712749858.db2.gz WEWAKAVXYJVGAE-CYBMUJFWSA-N 2 0 234.343 2.011 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2)C1 ZINC000040624142 1171147818 /nfs/dbraw/zinc/14/78/18/1171147818.db2.gz LULGXHHEFHRZCP-LBPRGKRZSA-N 2 0 219.332 2.224 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685953529 538897907 /nfs/dbraw/zinc/89/79/07/538897907.db2.gz IGFFGXGJIJTBKY-DGCLKSJQSA-N 2 0 210.365 2.378 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@H]2C ZINC000685954102 538898939 /nfs/dbraw/zinc/89/89/39/538898939.db2.gz LASOZELEFIPBGQ-QNWHQSFQSA-N 2 0 210.365 2.234 10 0 BEAERP CCC1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2CC ZINC000685955366 538900508 /nfs/dbraw/zinc/90/05/08/538900508.db2.gz YLFRVGKAOOKGHD-CPCZMJQVSA-N 2 0 210.365 2.378 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(C)CC2 ZINC000685955133 538900825 /nfs/dbraw/zinc/90/08/25/538900825.db2.gz UGTHRFWKICWCAP-CPCZMJQVSA-N 2 0 210.365 2.378 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@@H]2C ZINC000685952778 538896842 /nfs/dbraw/zinc/89/68/42/538896842.db2.gz CUAIQZBKRPFHCF-AVGNSLFASA-N 2 0 210.365 2.377 10 0 BEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCC[C@@H](C)C2 ZINC000685953113 538897121 /nfs/dbraw/zinc/89/71/21/538897121.db2.gz GEOJHZJSLOOTFB-FRRDWIJNSA-N 2 0 210.365 2.377 10 0 BEAERP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000052790507 178025203 /nfs/dbraw/zinc/02/52/03/178025203.db2.gz CXMHYJKFWPBBKK-CQSZACIVSA-N 2 0 249.402 2.073 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381623643 398267202 /nfs/dbraw/zinc/26/72/02/398267202.db2.gz SUDJKLNVDHTOSJ-WOPDTQHZSA-N 2 0 246.345 2.481 10 0 BEAERP CCC(CC)[N@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000042681757 168373498 /nfs/dbraw/zinc/37/34/98/168373498.db2.gz WOEIOCRKWWGUKI-ZDUSSCGKSA-N 2 0 244.423 2.497 10 0 BEAERP CCC(CC)[N@H+](CCOC)C[C@@](C)([NH3+])C1CC1 ZINC000042681725 168373655 /nfs/dbraw/zinc/37/36/55/168373655.db2.gz DMOHAHYJUPOVKN-CQSZACIVSA-N 2 0 242.407 2.251 10 0 BEAERP [NH3+]C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000145847171 342763651 /nfs/dbraw/zinc/76/36/51/342763651.db2.gz ZCBPUBMEXHAGAD-UHFFFAOYSA-N 2 0 232.318 2.235 10 0 BEAERP CCC(CC)[NH2+]C[C@H](C)N(C)C1CCOCC1 ZINC000053492101 168388975 /nfs/dbraw/zinc/38/89/75/168388975.db2.gz XTEBQXSEZKATFK-LBPRGKRZSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000169 398335656 /nfs/dbraw/zinc/33/56/56/398335656.db2.gz CHFWAZGVJCVBOG-KGLIPLIRSA-N 2 0 224.392 2.497 10 0 BEAERP [NH3+][C@@H]1CCC[C@@H](C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000022000330 343032798 /nfs/dbraw/zinc/03/27/98/343032798.db2.gz ZZYZUFNSKAIYCJ-ZDEQEGDKSA-N 2 0 210.365 2.412 10 0 BEAERP C[NH2+][C@H](C)CC[N@H+](C)Cc1ccccc1 ZINC000043816451 344236689 /nfs/dbraw/zinc/23/66/89/344236689.db2.gz KNVLQNQYALCQEX-GFCCVEGCSA-N 2 0 206.333 2.116 10 0 BEAERP CCc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000300046934 344380510 /nfs/dbraw/zinc/38/05/10/344380510.db2.gz BDHYIKXLRKRZQV-JOYOIKCWSA-N 2 0 224.373 2.090 10 0 BEAERP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534177 344541992 /nfs/dbraw/zinc/54/19/92/344541992.db2.gz CMIZHRJPQDOQCX-OLZOCXBDSA-N 2 0 212.381 2.354 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(C)cc1 ZINC000675053189 537862253 /nfs/dbraw/zinc/86/22/53/537862253.db2.gz HMGKDBDVSZWNOB-KBPBESRZSA-N 2 0 218.344 2.479 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(C)cc1 ZINC000675053199 537863394 /nfs/dbraw/zinc/86/33/94/537863394.db2.gz HMGKDBDVSZWNOB-ZIAGYGMSSA-N 2 0 218.344 2.479 10 0 BEAERP C[C@H]1C[C@H](C[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000235670424 344975177 /nfs/dbraw/zinc/97/51/77/344975177.db2.gz XTHDXODMLQSPJO-GXTWGEPZSA-N 2 0 218.344 2.164 10 0 BEAERP C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000634998825 345199107 /nfs/dbraw/zinc/19/91/07/345199107.db2.gz LNMBPUFFIDWKEM-HHTDUIENSA-N 2 0 224.392 2.339 10 0 BEAERP C[C@H]1C[N@H+](CC2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000634998826 345199405 /nfs/dbraw/zinc/19/94/05/345199405.db2.gz LNMBPUFFIDWKEM-YIOUJQMASA-N 2 0 224.392 2.339 10 0 BEAERP CCC1CC[NH+](Cc2occc2C[NH3+])CC1 ZINC000052346979 168528469 /nfs/dbraw/zinc/52/84/69/168528469.db2.gz XBQMJCOZKNKXCM-UHFFFAOYSA-N 2 0 222.332 2.360 10 0 BEAERP C[NH+](C)C[C@@]12CC[N@H+](C)[C@@H](Cc3ccccc31)C2 ZINC000095753847 346080528 /nfs/dbraw/zinc/08/05/28/346080528.db2.gz FMVMKSGQUQLJQC-HOCLYGCPSA-N 2 0 244.382 2.136 10 0 BEAERP Cc1cccc(CCC[NH2+]CCC[NH+](C)C)c1 ZINC000076277421 179054529 /nfs/dbraw/zinc/05/45/29/179054529.db2.gz FFALLJRCBFOJEO-UHFFFAOYSA-N 2 0 234.387 2.469 10 0 BEAERP Cc1cccc(C[N@@H+](C)[C@H](C)CC[NH3+])c1 ZINC000042435695 179068949 /nfs/dbraw/zinc/06/89/49/179068949.db2.gz MNKQHHIXVUUWBW-GFCCVEGCSA-N 2 0 206.333 2.164 10 0 BEAERP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000037484593 179092478 /nfs/dbraw/zinc/09/24/78/179092478.db2.gz DSDCVVHUHWCSTF-AWEZNQCLSA-N 2 0 218.344 2.036 10 0 BEAERP CCOC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000580062448 346502204 /nfs/dbraw/zinc/50/22/04/346502204.db2.gz CQUFMFBGGYNHGG-IHRRRGAJSA-N 2 0 242.407 2.025 10 0 BEAERP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577161775 365848415 /nfs/dbraw/zinc/84/84/15/365848415.db2.gz RAPDVESTPNJPBE-UTLUCORTSA-N 2 0 238.297 2.305 10 0 BEAERP [NH3+][C@@H](CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114349137 347352183 /nfs/dbraw/zinc/35/21/83/347352183.db2.gz DPXXYMQUWQIWCM-ZDUSSCGKSA-N 2 0 249.314 2.081 10 0 BEAERP Cc1ccccc1C[N@H+](CCC(N)=[NH2+])C1CC1 ZINC000042547946 179271251 /nfs/dbraw/zinc/27/12/51/179271251.db2.gz CFLPNCSWSSMQDT-UHFFFAOYSA-N 2 0 231.343 2.285 10 0 BEAERP Cc1ccccc1[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C ZINC000069796298 179332339 /nfs/dbraw/zinc/33/23/39/179332339.db2.gz XTQYAQRPEBMHNQ-OCCSQVGLSA-N 2 0 218.344 2.337 10 0 BEAERP Cc1ncccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250896928 180228574 /nfs/dbraw/zinc/22/85/74/180228574.db2.gz WWMSYRVMYFQVHR-STQMWFEESA-N 2 0 231.343 2.429 10 0 BEAERP CC(C)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336683437 191125567 /nfs/dbraw/zinc/12/55/67/191125567.db2.gz IVPOSSPCLJGCPM-NEPJUHHUSA-N 2 0 200.370 2.208 10 0 BEAERP CC(C)[C@@H]([NH3+])CC[NH2+]Cc1ccccc1 ZINC000129224844 351008760 /nfs/dbraw/zinc/00/87/60/351008760.db2.gz CXAIPSWWKFQZEX-ZDUSSCGKSA-N 2 0 206.333 2.150 10 0 BEAERP CCN(Cc1ccccc1)[C@H](C)C[NH2+]C ZINC000052443696 351001186 /nfs/dbraw/zinc/00/11/86/351001186.db2.gz LDTFNYNPBSVZGH-GFCCVEGCSA-N 2 0 206.333 2.116 10 0 BEAERP C[C@@H]1CCC[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725270481 538102118 /nfs/dbraw/zinc/10/21/18/538102118.db2.gz OJXCWMMYSHDLCO-ZIHBUVQPSA-N 2 0 222.376 2.378 10 0 BEAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])C2CCCC2)C1 ZINC000062991785 187784271 /nfs/dbraw/zinc/78/42/71/187784271.db2.gz MITSNECBAHGSLK-GFCCVEGCSA-N 2 0 237.391 2.474 10 0 BEAERP CC(C)(C[NH3+])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809712 188103856 /nfs/dbraw/zinc/10/38/56/188103856.db2.gz HUPIHLKBRQHGCR-NWDGAFQWSA-N 2 0 210.365 2.236 10 0 BEAERP COc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H](C)C2)cc1 ZINC000049663514 188125561 /nfs/dbraw/zinc/12/55/61/188125561.db2.gz LKGSWJAYJDZRHC-CYBMUJFWSA-N 2 0 248.370 2.127 10 0 BEAERP c1ccc(CCC[NH+]2CCC[NH2+]CCC2)cc1 ZINC000049666798 188125733 /nfs/dbraw/zinc/12/57/33/188125733.db2.gz NSOVSBKLGODYFM-UHFFFAOYSA-N 2 0 232.371 2.305 10 0 BEAERP C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000052375658 188126384 /nfs/dbraw/zinc/12/63/84/188126384.db2.gz VFMKKJRRUZQFHH-LBPRGKRZSA-N 2 0 218.344 2.390 10 0 BEAERP CC(C)[N@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000019282575 188172256 /nfs/dbraw/zinc/17/22/56/188172256.db2.gz OEKJAICWBYUIGE-UHFFFAOYSA-N 2 0 210.296 2.125 10 0 BEAERP C[C@H]1CC[NH2+]C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000389740512 357023412 /nfs/dbraw/zinc/02/34/12/357023412.db2.gz YPTPNZDJIVLBDT-XHDPSFHLSA-N 2 0 241.338 2.067 10 0 BEAERP CC(C)[NH2+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000685947458 538889285 /nfs/dbraw/zinc/88/92/85/538889285.db2.gz NNOPUZYIQZTWDO-UPJWGTAASA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685951095 538894599 /nfs/dbraw/zinc/89/45/99/538894599.db2.gz MSDXRQCKWQTYTQ-YVECIDJPSA-N 2 0 224.392 2.208 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951091 538894619 /nfs/dbraw/zinc/89/46/19/538894619.db2.gz MSDXRQCKWQTYTQ-POQQGIQPSA-N 2 0 224.392 2.208 10 0 BEAERP CCCC[N@H+](CC)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950910 538894778 /nfs/dbraw/zinc/89/47/78/538894778.db2.gz HRYQCAYBSJOKAP-VXGBXAGGSA-N 2 0 212.381 2.352 10 0 BEAERP CCC[N@H+](C(C)C)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950983 538894838 /nfs/dbraw/zinc/89/48/38/538894838.db2.gz KPHRFJLPWKCAEX-ITGUQSILSA-N 2 0 212.381 2.351 10 0 BEAERP CC(C)=CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584774311 358175128 /nfs/dbraw/zinc/17/51/28/358175128.db2.gz MXABFGWQYFWBQW-CHWSQXEVSA-N 2 0 210.365 2.320 10 0 BEAERP C[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600404 358434379 /nfs/dbraw/zinc/43/43/79/358434379.db2.gz XXQYPRWOZKUAMD-YUELXQCFSA-N 2 0 230.355 2.241 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000052205534 358776319 /nfs/dbraw/zinc/77/63/19/358776319.db2.gz YDIKTWLMHKGHRG-IHRRRGAJSA-N 2 0 240.391 2.018 10 0 BEAERP CC[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])C1CC1 ZINC000306586109 360485260 /nfs/dbraw/zinc/48/52/60/360485260.db2.gz RBYYIMDEBHOZKI-OAHLLOKOSA-N 2 0 232.371 2.493 10 0 BEAERP C[C@@H](CC1CCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000133334811 491151193 /nfs/dbraw/zinc/15/11/93/491151193.db2.gz ZRPBSPOWXJGHHR-LBPRGKRZSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@H](CC1CCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000133335011 491151197 /nfs/dbraw/zinc/15/11/97/491151197.db2.gz ZRPBSPOWXJGHHR-GFCCVEGCSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000622044090 370675569 /nfs/dbraw/zinc/67/55/69/370675569.db2.gz UMYWQASWHVYMRA-GARJFASQSA-N 2 0 232.318 2.009 10 0 BEAERP C[C@H]([NH2+]CC1CC(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000622044516 370677535 /nfs/dbraw/zinc/67/75/35/370677535.db2.gz IWBTWSACQVMNDR-PYNQCMFNSA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000629553967 361439672 /nfs/dbraw/zinc/43/96/72/361439672.db2.gz FTYHLOCJVBFZHN-HIFPTAJRSA-N 2 0 222.376 2.426 10 0 BEAERP [NH3+]C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000026514461 181344416 /nfs/dbraw/zinc/34/44/16/181344416.db2.gz WWOHYLBDKWFZGN-CQSZACIVSA-N 2 0 216.328 2.097 10 0 BEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1 ZINC000042287873 181344908 /nfs/dbraw/zinc/34/49/08/181344908.db2.gz SKSGSZYRUJSEMC-AGUYFDCRSA-N 2 0 246.354 2.020 10 0 BEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000040749247 181345446 /nfs/dbraw/zinc/34/54/46/181345446.db2.gz HHQJTWJHSORCAT-AGUYFDCRSA-N 2 0 234.318 2.280 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357199 364078970 /nfs/dbraw/zinc/07/89/70/364078970.db2.gz COTQNSZZEDMAQW-OCCSQVGLSA-N 2 0 242.407 2.251 10 0 BEAERP CO[C@H]1C[N@H+](CCC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630363758 364080537 /nfs/dbraw/zinc/08/05/37/364080537.db2.gz ZIOILAOVMCNSPB-KGLIPLIRSA-N 2 0 240.391 2.005 10 0 BEAERP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000630526791 364213424 /nfs/dbraw/zinc/21/34/24/364213424.db2.gz DPGDVJZHJXAVTF-SWLSCSKDSA-N 2 0 241.338 2.209 10 0 BEAERP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074204366 541344382 /nfs/dbraw/zinc/34/43/82/541344382.db2.gz YVHHPBHDNOEETG-OLZOCXBDSA-N 2 0 204.317 2.089 10 0 BEAERP C[C@@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)C[NH2+]1 ZINC000630535738 364231443 /nfs/dbraw/zinc/23/14/43/364231443.db2.gz ZMLXRFOZTCIYBW-NEPJUHHUSA-N 2 0 241.338 2.209 10 0 BEAERP Cc1cc(N2CCCCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000630550807 364243808 /nfs/dbraw/zinc/24/38/08/364243808.db2.gz XISBCPWNPXMBAV-GFCCVEGCSA-N 2 0 219.332 2.098 10 0 BEAERP [NH3+]CC1(N2CCSCC2)CCCCCCC1 ZINC000020257116 181360013 /nfs/dbraw/zinc/36/00/13/181360013.db2.gz IAZYNCVKXMJTOI-UHFFFAOYSA-N 2 0 242.432 2.477 10 0 BEAERP CCSCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000133808027 364368169 /nfs/dbraw/zinc/36/81/69/364368169.db2.gz SIYIYTOFQUHQDT-VOMCLLRMSA-N 2 0 230.421 2.378 10 0 BEAERP [NH3+]CC1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000076677859 181365549 /nfs/dbraw/zinc/36/55/49/181365549.db2.gz MWGYTDSQNBWRCE-GJZGRUSLSA-N 2 0 230.355 2.103 10 0 BEAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000104320890 181386056 /nfs/dbraw/zinc/38/60/56/181386056.db2.gz RFLOPGXKGMCSMP-CQSZACIVSA-N 2 0 248.370 2.269 10 0 BEAERP CCCCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574683572 365118569 /nfs/dbraw/zinc/11/85/69/365118569.db2.gz SCUSIQYLQQJZBH-UONOGXRCSA-N 2 0 242.407 2.171 10 0 BEAERP [NH3+]CCc1ccccc1OCCC[NH+]1CCCC1 ZINC000033424873 181412511 /nfs/dbraw/zinc/41/25/11/181412511.db2.gz WBFHPLGXNVYHCI-UHFFFAOYSA-N 2 0 248.370 2.053 10 0 BEAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000579613594 366908769 /nfs/dbraw/zinc/90/87/69/366908769.db2.gz VLFJVNQUGBMRPU-MHDGFBEUSA-N 2 0 240.391 2.050 10 0 BEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH+]1CCCCCCC1 ZINC000037158794 181430810 /nfs/dbraw/zinc/43/08/10/181430810.db2.gz NKULTPYSWJDVAE-STQMWFEESA-N 2 0 210.365 2.380 10 0 BEAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000581720408 367783083 /nfs/dbraw/zinc/78/30/83/367783083.db2.gz STEYQSJBQZEDSZ-PWSUYJOCSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000581878533 367865730 /nfs/dbraw/zinc/86/57/30/367865730.db2.gz NDBNJWWHDSXGLN-NWDGAFQWSA-N 2 0 228.355 2.246 10 0 BEAERP CSCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566908978 326092828 /nfs/dbraw/zinc/09/28/28/326092828.db2.gz RSTQICKOBVTMNR-NEPJUHHUSA-N 2 0 230.421 2.107 10 0 BEAERP [NH3+]C[C@H]1[C@@H]2C[N@@H+](Cc3ccccc3)CCC[C@@H]12 ZINC000083072568 181440107 /nfs/dbraw/zinc/44/01/07/181440107.db2.gz CRIVWPDSORCWPD-RRFJBIMHSA-N 2 0 230.355 2.103 10 0 BEAERP C[C@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838045 369114607 /nfs/dbraw/zinc/11/46/07/369114607.db2.gz YVLYQWMHUAAIBZ-NWDGAFQWSA-N 2 0 224.392 2.339 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000631837508 372627160 /nfs/dbraw/zinc/62/71/60/372627160.db2.gz SYSAUBMJBJPESZ-YPMHNXCESA-N 2 0 236.334 2.161 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000631837296 372627714 /nfs/dbraw/zinc/62/77/14/372627714.db2.gz ADCWMLSDGJHGNN-WBMJQRKESA-N 2 0 244.382 2.202 10 0 BEAERP C[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000631837061 372627939 /nfs/dbraw/zinc/62/79/39/372627939.db2.gz MJDFPDORDOBHLL-WOPDTQHZSA-N 2 0 212.381 2.195 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631840136 372636618 /nfs/dbraw/zinc/63/66/18/372636618.db2.gz PWIAYWFXDQKFHQ-SGMGOOAPSA-N 2 0 248.370 2.283 10 0 BEAERP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631844063 372643295 /nfs/dbraw/zinc/64/32/95/372643295.db2.gz UYGQQEXXWVPTRX-PWSUYJOCSA-N 2 0 238.762 2.367 10 0 BEAERP CCC[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052444589 169079610 /nfs/dbraw/zinc/07/96/10/169079610.db2.gz UMZTWFFETYLYOI-KGLIPLIRSA-N 2 0 242.407 2.121 10 0 BEAERP CCC[N@H+](CCC[NH3+])Cc1cccc(OC)c1 ZINC000036731882 169155294 /nfs/dbraw/zinc/15/52/94/169155294.db2.gz ZPQJJJJPMRLNIE-UHFFFAOYSA-N 2 0 236.359 2.256 10 0 BEAERP CCC[N@H+](CCC[NH3+])CCOc1ccccc1 ZINC000044421437 169155969 /nfs/dbraw/zinc/15/59/69/169155969.db2.gz WEOUCNLCXVOGPM-UHFFFAOYSA-N 2 0 236.359 2.126 10 0 BEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)CC)CC1 ZINC000122756734 169186534 /nfs/dbraw/zinc/18/65/34/169186534.db2.gz QYCDGMCLUSHZRI-GFCCVEGCSA-N 2 0 212.381 2.497 10 0 BEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC000037221200 169190745 /nfs/dbraw/zinc/19/07/45/169190745.db2.gz QJIYGSUYASZAFJ-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)COC)CC1 ZINC000037209115 169191797 /nfs/dbraw/zinc/19/17/97/169191797.db2.gz KNVGQVIRODXDAI-CHWSQXEVSA-N 2 0 242.407 2.121 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)C)[C@H](C)C1 ZINC000073654041 169209024 /nfs/dbraw/zinc/20/90/24/169209024.db2.gz RRNQJHWAOWCJDL-OLZOCXBDSA-N 2 0 212.381 2.352 10 0 BEAERP CCC[NH2+]CC[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507781 169261482 /nfs/dbraw/zinc/26/14/82/169261482.db2.gz XBOKAPDHVGVOTM-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+]C[C@H](C)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000052372110 169263229 /nfs/dbraw/zinc/26/32/29/169263229.db2.gz QLHANYTZKIJAAO-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+]C[C@@](C)(CC)C[N@@H+]1CCCOCC1 ZINC000061934543 169263357 /nfs/dbraw/zinc/26/33/57/169263357.db2.gz LTGJERVIBKQIBD-CQSZACIVSA-N 2 0 242.407 2.125 10 0 BEAERP CCC[NH2+]C[C@](C)(CC)C[N@@H+]1CCCOCC1 ZINC000061934544 169264478 /nfs/dbraw/zinc/26/44/78/169264478.db2.gz LTGJERVIBKQIBD-AWEZNQCLSA-N 2 0 242.407 2.125 10 0 BEAERP c1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000076677792 183399884 /nfs/dbraw/zinc/39/98/84/183399884.db2.gz BUXOLSLXVAQEEE-CABCVRRESA-N 2 0 230.355 2.261 10 0 BEAERP c1ccc(C[NH+]2C[C@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC000083072559 183402935 /nfs/dbraw/zinc/40/29/35/183402935.db2.gz UVZLRLITANEWQD-HUUCEWRRSA-N 2 0 230.355 2.118 10 0 BEAERP CCCO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042425486 169311440 /nfs/dbraw/zinc/31/14/40/169311440.db2.gz BAPMSDCUGAZLJJ-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP CCCO[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000042425475 169311575 /nfs/dbraw/zinc/31/15/75/169311575.db2.gz BKACYBAQSDQLJC-AWEZNQCLSA-N 2 0 242.407 2.397 10 0 BEAERP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C)C1 ZINC000052371619 169311843 /nfs/dbraw/zinc/31/18/43/169311843.db2.gz LELHJQVBYYIXQO-UONOGXRCSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+][C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC000049709036 169291842 /nfs/dbraw/zinc/29/18/42/169291842.db2.gz ZVUSKHBWKOLQFT-OLZOCXBDSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[C@@H](C)[N@H+](C)CC1(C[NH2+]C)CCOCC1 ZINC000052181902 169364339 /nfs/dbraw/zinc/36/43/39/169364339.db2.gz IOSADKUPLYILSZ-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485303 169359653 /nfs/dbraw/zinc/35/96/53/169359653.db2.gz BXPNRSGGPVBGPE-CHWSQXEVSA-N 2 0 224.392 2.497 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000348149546 383900100 /nfs/dbraw/zinc/90/01/00/383900100.db2.gz KDASVDATUQJTTP-UZGDPCLZSA-N 2 0 222.376 2.247 10 0 BEAERP C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000068592798 384003342 /nfs/dbraw/zinc/00/33/42/384003342.db2.gz NWKPWPVTPIKZQR-SCRDCRAPSA-N 2 0 218.344 2.244 10 0 BEAERP C[C@@H]1[C@@H](C)[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000068592795 384001487 /nfs/dbraw/zinc/00/14/87/384001487.db2.gz NWKPWPVTPIKZQR-BZPMIXESSA-N 2 0 218.344 2.244 10 0 BEAERP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH3+])C3)c2c1 ZINC000073738634 384021267 /nfs/dbraw/zinc/02/12/67/384021267.db2.gz LAEHGBQGGCPNQI-LLVKDONJSA-N 2 0 227.311 2.081 10 0 BEAERP Cc1[nH+]ccc(N[C@@H]2CC[C@H](C[NH3+])C2)c1Cl ZINC000335583469 384349108 /nfs/dbraw/zinc/34/91/08/384349108.db2.gz ZCMFVEXFERTFNQ-VHSXEESVSA-N 2 0 239.750 2.005 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1ccccc1Cl ZINC000037713175 384508691 /nfs/dbraw/zinc/50/86/91/384508691.db2.gz WNAMLXMQVZKCML-VIFPVBQESA-N 2 0 212.724 2.339 10 0 BEAERP C1[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591090 384518912 /nfs/dbraw/zinc/51/89/12/384518912.db2.gz KEEGRIMIBOKAII-NWDGAFQWSA-N 2 0 208.349 2.051 10 0 BEAERP C1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591092 384520364 /nfs/dbraw/zinc/52/03/64/384520364.db2.gz KEEGRIMIBOKAII-RYUDHWBXSA-N 2 0 208.349 2.051 10 0 BEAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1ccccc1 ZINC000011848777 384618366 /nfs/dbraw/zinc/61/83/66/384618366.db2.gz WLJVCQIISALCSF-HNNXBMFYSA-N 2 0 243.354 2.098 10 0 BEAERP C[C@@]1([NH2+]C[C@H]2CCC[NH2+]C2)CC=CCC1 ZINC000334852414 384749429 /nfs/dbraw/zinc/74/94/29/384749429.db2.gz GWFUHOQPCLJMGW-QWHCGFSZSA-N 2 0 208.349 2.074 10 0 BEAERP CC[C@@H](C[NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293956 384896374 /nfs/dbraw/zinc/89/63/74/384896374.db2.gz NDDFXINAVDENOT-KBPBESRZSA-N 2 0 232.371 2.379 10 0 BEAERP Cc1ccccc1C[NH2+]C(C)(C)CC[NH3+] ZINC000258715527 384933467 /nfs/dbraw/zinc/93/34/67/384933467.db2.gz DCMZIEIJMMUXEL-UHFFFAOYSA-N 2 0 206.333 2.212 10 0 BEAERP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1 ZINC000258769848 384943100 /nfs/dbraw/zinc/94/31/00/384943100.db2.gz NYIAKMHSSQTVKW-VIFPVBQESA-N 2 0 212.724 2.167 10 0 BEAERP CCc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1 ZINC000258874123 384947430 /nfs/dbraw/zinc/94/74/30/384947430.db2.gz PNTWNIGDRZZQED-UHFFFAOYSA-N 2 0 220.360 2.466 10 0 BEAERP Cc1[nH+]ccc(N2CCC(C)([NH3+])CC2)c1Cl ZINC000643028341 385523561 /nfs/dbraw/zinc/52/35/61/385523561.db2.gz GKTYOZFRBRIJTC-UHFFFAOYSA-N 2 0 239.750 2.361 10 0 BEAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)C[NH+](C)C ZINC000336733736 385644331 /nfs/dbraw/zinc/64/43/31/385644331.db2.gz GQXPWPNLKYKCOL-FRRDWIJNSA-N 2 0 230.371 2.302 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@H]1CCC[NH2+]C1 ZINC000647801107 385809694 /nfs/dbraw/zinc/80/96/94/385809694.db2.gz OBUYLOOQRQVZKU-AXFHLTTASA-N 2 0 234.334 2.255 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000647801109 385809815 /nfs/dbraw/zinc/80/98/15/385809815.db2.gz OBUYLOOQRQVZKU-GARJFASQSA-N 2 0 234.334 2.255 10 0 BEAERP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)CC(F)F ZINC000647801459 385812871 /nfs/dbraw/zinc/81/28/71/385812871.db2.gz WIPGMHICPNIOQZ-NXEZZACHSA-N 2 0 220.307 2.009 10 0 BEAERP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335035648 385926649 /nfs/dbraw/zinc/92/66/49/385926649.db2.gz WYFMBSJGGAINBI-QWRGUYRKSA-N 2 0 232.318 2.296 10 0 BEAERP CCN1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000061839590 386548045 /nfs/dbraw/zinc/54/80/45/386548045.db2.gz FYQBBVLSWUFMPO-LBPRGKRZSA-N 2 0 212.381 2.497 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1cccc(F)c1C(F)(F)F ZINC000575437859 387111410 /nfs/dbraw/zinc/11/14/10/387111410.db2.gz AQRVHMUPSSARRK-QMMMGPOBSA-N 2 0 236.212 2.193 10 0 BEAERP Cc1ccc(F)c([C@H]([NH3+])CCCC[NH3+])c1F ZINC000575438066 387112182 /nfs/dbraw/zinc/11/21/82/387112182.db2.gz BTODYBRSYWHLBN-SNVBAGLBSA-N 2 0 228.286 2.402 10 0 BEAERP Cc1ccc(C)c([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575438107 387112825 /nfs/dbraw/zinc/11/28/25/387112825.db2.gz DYEJZHPOUBRNCN-CYBMUJFWSA-N 2 0 206.333 2.432 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc2[nH]ccc2c1 ZINC000575438622 387131852 /nfs/dbraw/zinc/13/18/52/387131852.db2.gz MFIUCAFURXQYAN-LBPRGKRZSA-N 2 0 217.316 2.297 10 0 BEAERP Cc1ccc(F)c([C@@H]([NH3+])CCCC[NH3+])c1F ZINC000575437954 387113293 /nfs/dbraw/zinc/11/32/93/387113293.db2.gz BTODYBRSYWHLBN-JTQLQIEISA-N 2 0 228.286 2.402 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000575439923 387125392 /nfs/dbraw/zinc/12/53/92/387125392.db2.gz XXPFZHZPONBCLI-NSHDSACASA-N 2 0 212.724 2.469 10 0 BEAERP COc1ccc(Cl)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439645 387126400 /nfs/dbraw/zinc/12/64/00/387126400.db2.gz SXNNJZPHVXZDHE-NSHDSACASA-N 2 0 242.750 2.477 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CC[NH3+])cc1Br ZINC000575440139 387127305 /nfs/dbraw/zinc/12/73/05/387127305.db2.gz JVAVVEUUQWPYEB-JTQLQIEISA-N 2 0 243.148 2.106 10 0 BEAERP Cc1cccc(C)c1[C@H]([NH3+])CCCC[NH3+] ZINC000575440127 387127370 /nfs/dbraw/zinc/12/73/70/387127370.db2.gz VXMRPQREKALSDB-GFCCVEGCSA-N 2 0 206.333 2.432 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)ccc1F ZINC000575440135 387127539 /nfs/dbraw/zinc/12/75/39/387127539.db2.gz JNDWJDYNBNDFRB-NSHDSACASA-N 2 0 214.259 2.094 10 0 BEAERP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000572474136 387189133 /nfs/dbraw/zinc/18/91/33/387189133.db2.gz WCTWXYMJIZIYDT-OLZOCXBDSA-N 2 0 236.359 2.108 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1F ZINC000575440456 387134533 /nfs/dbraw/zinc/13/45/33/387134533.db2.gz WCVQHIZXECKAFL-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000514872175 387306739 /nfs/dbraw/zinc/30/67/39/387306739.db2.gz CNIYRLDRPMSTKJ-KGLIPLIRSA-N 2 0 242.407 2.027 10 0 BEAERP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000643500454 387336133 /nfs/dbraw/zinc/33/61/33/387336133.db2.gz XPXFAXTZYJQRSK-QNMSZWNNSA-N 2 0 222.376 2.294 10 0 BEAERP CCN1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324854552 387541736 /nfs/dbraw/zinc/54/17/36/387541736.db2.gz ZARWZQRIBIMINB-UONOGXRCSA-N 2 0 222.376 2.249 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1cccc(OC(F)F)c1 ZINC000037713474 387564770 /nfs/dbraw/zinc/56/47/70/387564770.db2.gz VSDPLROUQLTAIB-VIFPVBQESA-N 2 0 244.285 2.287 10 0 BEAERP c1ccc(OCCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129225374 387765188 /nfs/dbraw/zinc/76/51/88/387765188.db2.gz PLMMLKLDBPUUQK-AWEZNQCLSA-N 2 0 248.370 2.187 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978138 387788464 /nfs/dbraw/zinc/78/84/64/387788464.db2.gz HAXGQRBKHSTUBN-RDBSUJKOSA-N 2 0 248.370 2.042 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@H]1CC[NH2+]C1 ZINC000400508112 387985684 /nfs/dbraw/zinc/98/56/84/387985684.db2.gz KQLSCCDGWRNCHE-FDZXDKCCSA-N 2 0 222.376 2.153 10 0 BEAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000335077907 388448383 /nfs/dbraw/zinc/44/83/83/388448383.db2.gz PXMJIOYUUJORNV-BPCQOVAHSA-N 2 0 222.376 2.154 10 0 BEAERP CSC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000517122844 388537840 /nfs/dbraw/zinc/53/78/40/388537840.db2.gz LBRFARMCBXBXEM-RYUDHWBXSA-N 2 0 242.432 2.250 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000575438276 388622617 /nfs/dbraw/zinc/62/26/17/388622617.db2.gz GXDBOEOYNIOGAE-SECBINFHSA-N 2 0 230.258 2.027 10 0 BEAERP COc1cc([C@H]([NH3+])CCC[NH3+])ccc1Cl ZINC000575439827 388629739 /nfs/dbraw/zinc/62/97/39/388629739.db2.gz YJYZQXABLJATCG-SNVBAGLBSA-N 2 0 228.723 2.087 10 0 BEAERP C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400455840 533387805 /nfs/dbraw/zinc/38/78/05/533387805.db2.gz PXOSVAOOPGUQJY-ZIAGYGMSSA-N 2 0 248.370 2.043 10 0 BEAERP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400473314 533445149 /nfs/dbraw/zinc/44/51/49/533445149.db2.gz YVKBGCLNWFLNOH-BDAKNGLRSA-N 2 0 244.791 2.489 10 0 BEAERP CC(C)[NH+]1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000036190046 132340790 /nfs/dbraw/zinc/34/07/90/132340790.db2.gz XOSUZPMBHCXDRV-CYBMUJFWSA-N 2 0 247.386 2.237 10 0 BEAERP c1cc(N2CCC[C@@H](C[NH2+]C3CC3)C2)cc[nH+]1 ZINC000053702274 132363164 /nfs/dbraw/zinc/36/31/64/132363164.db2.gz PDRZXTRYMTZXEZ-LBPRGKRZSA-N 2 0 231.343 2.050 10 0 BEAERP C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219860605 134292421 /nfs/dbraw/zinc/29/24/21/134292421.db2.gz OIVQKZLRNVMPBW-MCIONIFRSA-N 2 0 224.392 2.497 10 0 BEAERP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539325 134382687 /nfs/dbraw/zinc/38/26/87/134382687.db2.gz FJYHVTRNMJTIEA-KCPJHIHWSA-N 2 0 248.370 2.128 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252728710 135102257 /nfs/dbraw/zinc/10/22/57/135102257.db2.gz CKUZDPSZJNLYIS-RQJABVFESA-N 2 0 222.376 2.391 10 0 BEAERP CC1(C)C[N@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000259383214 135142459 /nfs/dbraw/zinc/14/24/59/135142459.db2.gz WHWSWGVRLHWJSG-CQSZACIVSA-N 2 0 232.371 2.288 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261538103 135175165 /nfs/dbraw/zinc/17/51/65/135175165.db2.gz CEKRYULCMVDJAK-LLVKDONJSA-N 2 0 246.345 2.496 10 0 BEAERP CC1CCC(C[NH2+]CCC[NH+](C)C)CC1 ZINC000084330842 135211111 /nfs/dbraw/zinc/21/11/11/135211111.db2.gz DJTPKJWCCDRBNR-UHFFFAOYSA-N 2 0 212.381 2.354 10 0 BEAERP Cc1cc(C)c(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000334869328 135405825 /nfs/dbraw/zinc/40/58/25/135405825.db2.gz OIWLAVJQBQUDDZ-UHFFFAOYSA-N 2 0 233.359 2.058 10 0 BEAERP COc1cc([C@H](C)[NH2+]CCCC[NH3+])ccc1F ZINC000215473858 135450655 /nfs/dbraw/zinc/45/06/55/135450655.db2.gz QHECWNHAWAKBOM-JTQLQIEISA-N 2 0 240.322 2.224 10 0 BEAERP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700614 397802423 /nfs/dbraw/zinc/80/24/23/397802423.db2.gz OSIAREHDRLOPEC-WDEREUQCSA-N 2 0 232.318 2.093 10 0 BEAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691025 167029831 /nfs/dbraw/zinc/02/98/31/167029831.db2.gz WPIMPDDQSUFNKL-LPWJVIDDSA-N 2 0 242.432 2.056 10 0 BEAERP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)CCc1ccncc1 ZINC000052483060 167111574 /nfs/dbraw/zinc/11/15/74/167111574.db2.gz TZULRIMLFLVEKA-CQSZACIVSA-N 2 0 249.402 2.190 10 0 BEAERP CC[NH+](CC)CCOc1ccc([C@@H](C)[NH3+])cc1 ZINC000022220093 169783177 /nfs/dbraw/zinc/78/31/77/169783177.db2.gz SPPSPVKWRNZSPR-GFCCVEGCSA-N 2 0 236.359 2.427 10 0 BEAERP CC(C)[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037222067 167386062 /nfs/dbraw/zinc/38/60/62/167386062.db2.gz LSHAJSYQJJEIGZ-VXGBXAGGSA-N 2 0 212.381 2.351 10 0 BEAERP CC(C)c1ccc(C[C@@H](C[NH3+])C[NH+](C)C)cc1 ZINC000011799991 167599035 /nfs/dbraw/zinc/59/90/35/167599035.db2.gz QMKAMLSHPPZVTP-AWEZNQCLSA-N 2 0 234.387 2.489 10 0 BEAERP CC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324150 411144428 /nfs/dbraw/zinc/14/44/28/411144428.db2.gz AAGIJTMNFJZHQX-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783025 411359628 /nfs/dbraw/zinc/35/96/28/411359628.db2.gz MCDMYQKOMQHFDT-MCIONIFRSA-N 2 0 247.386 2.163 10 0 BEAERP CC1CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503012 168183483 /nfs/dbraw/zinc/18/34/83/168183483.db2.gz RFPGOHNYRIPBOP-OLZOCXBDSA-N 2 0 210.365 2.236 10 0 BEAERP CC[NH+]1CCC(C[C@H]2CCCC[NH2+]2)CC1 ZINC000169726653 169952637 /nfs/dbraw/zinc/95/26/37/169952637.db2.gz NEPRHVUWPNUEOJ-CYBMUJFWSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+]CCCCC[N@@H+]1CCC[C@@H](OCC)C1 ZINC000052372274 170111802 /nfs/dbraw/zinc/11/18/02/170111802.db2.gz MNTLKBXNZCOZAE-CQSZACIVSA-N 2 0 242.407 2.267 10 0 BEAERP CC[NH2+]CCCCC[N@H+](C)C[C@H]1CCCOC1 ZINC000104191486 170111812 /nfs/dbraw/zinc/11/18/12/170111812.db2.gz FLHYCYNJZNMUFH-CQSZACIVSA-N 2 0 242.407 2.125 10 0 BEAERP CC[NH2+]CC[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545470 170116981 /nfs/dbraw/zinc/11/69/81/170116981.db2.gz GIGOUTLMKHMNRI-STQMWFEESA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH2+]C[C@@H](OCC[NH+]1CCCCC1)C(C)C ZINC000052670620 170120011 /nfs/dbraw/zinc/12/00/11/170120011.db2.gz GALHMWZZGZMGPZ-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]C[C@@](C)(CC)C[N@H+](C)C1CCOCC1 ZINC000051218324 170120616 /nfs/dbraw/zinc/12/06/16/170120616.db2.gz CEDRBKAEWKCVJX-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]C[C@@]1(C[N@H+](C)[C@H](C)CC)CCCOC1 ZINC000104308981 170121147 /nfs/dbraw/zinc/12/11/47/170121147.db2.gz YHNMUBVRELQJDM-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]Cc1ccc(C[NH+](CC)CC)o1 ZINC000045205586 170126712 /nfs/dbraw/zinc/12/67/12/170126712.db2.gz OCUKRFONTONUPB-UHFFFAOYSA-N 2 0 210.321 2.231 10 0 BEAERP CC[NH2+]Cc1cccc(OCCC[NH+](C)C)c1 ZINC000033434449 170128200 /nfs/dbraw/zinc/12/82/00/170128200.db2.gz ATFNYSCGPLTQCN-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP CC[NH2+]Cc1cnc(CC[NH+](CC)CC)s1 ZINC000040996608 170130118 /nfs/dbraw/zinc/13/01/18/170130118.db2.gz CEQUNFDUFGYERB-UHFFFAOYSA-N 2 0 241.404 2.137 10 0 BEAERP CC[NH2+][C@@H]1CCCCC[C@H]1[NH+]1CCCC1 ZINC000043807280 170150180 /nfs/dbraw/zinc/15/01/80/170150180.db2.gz DUKFGHBUUOHBKN-CHWSQXEVSA-N 2 0 210.365 2.393 10 0 BEAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCCC1 ZINC000060720684 170150809 /nfs/dbraw/zinc/15/08/09/170150809.db2.gz VBORMLQNBVKEGY-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP CCOCCC[N@@H+]1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049665160 170374449 /nfs/dbraw/zinc/37/44/49/170374449.db2.gz ZXUCZIOMPLRTAA-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267638 170725905 /nfs/dbraw/zinc/72/59/05/170725905.db2.gz PQKVKCDIFKJNHZ-SECBINFHSA-N 2 0 237.322 2.340 10 0 BEAERP CC(C)CC1([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000662067555 411969804 /nfs/dbraw/zinc/96/98/04/411969804.db2.gz ZBXNWHIRQFCKFG-LBPRGKRZSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662267121 412057450 /nfs/dbraw/zinc/05/74/50/412057450.db2.gz SDZVVDJHDWFSIV-YNEHKIRRSA-N 2 0 208.349 2.012 10 0 BEAERP CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662267120 412057599 /nfs/dbraw/zinc/05/75/99/412057599.db2.gz SDZVVDJHDWFSIV-XQQFMLRXSA-N 2 0 208.349 2.012 10 0 BEAERP CC[C@@H]1C[N@H+](CCC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000050952673 171080089 /nfs/dbraw/zinc/08/00/89/171080089.db2.gz HJJVVVDVPHEUIJ-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP CC[C@@](C)(C[NH2+]C)C[N@H+](CCOC)CC(C)C ZINC000051251319 171166506 /nfs/dbraw/zinc/16/65/06/171166506.db2.gz MKTNNOLETAIZLO-AWEZNQCLSA-N 2 0 244.423 2.227 10 0 BEAERP CC[C@@](C)(C[NH2+]C)C[N@H+](C)CCc1ccccn1 ZINC000051214515 171167296 /nfs/dbraw/zinc/16/72/96/171167296.db2.gz LNKBZJYGTNMTQC-HNNXBMFYSA-N 2 0 249.402 2.192 10 0 BEAERP CC[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052444277 171307431 /nfs/dbraw/zinc/30/74/31/171307431.db2.gz KLGGLKRQIKJGIG-MJBXVCDLSA-N 2 0 242.407 2.262 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000665263710 412206842 /nfs/dbraw/zinc/20/68/42/412206842.db2.gz SNBHHYWRNNDIMP-AICCOOGYSA-N 2 0 236.403 2.400 10 0 BEAERP CCn1cccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226346268 172207011 /nfs/dbraw/zinc/20/70/11/172207011.db2.gz WGSAQRNFBAKQMM-UHFFFAOYSA-N 2 0 249.402 2.330 10 0 BEAERP C[NH+]1CCC(C[NH3+])(c2ccc(Cl)cc2)CC1 ZINC000033487106 172985061 /nfs/dbraw/zinc/98/50/61/172985061.db2.gz PJRDJLCXRDHQAZ-UHFFFAOYSA-N 2 0 238.762 2.262 10 0 BEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCCC1 ZINC000049772945 173005785 /nfs/dbraw/zinc/00/57/85/173005785.db2.gz CLABDDCKXWRCIX-CYBMUJFWSA-N 2 0 210.365 2.393 10 0 BEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC000052205759 173007436 /nfs/dbraw/zinc/00/74/36/173007436.db2.gz WEBZJMYVZQPOHN-KBPBESRZSA-N 2 0 240.391 2.020 10 0 BEAERP C[N@@H+]1CCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000034017282 173026808 /nfs/dbraw/zinc/02/68/08/173026808.db2.gz BOMGTDONYIEQMW-CQSZACIVSA-N 2 0 218.344 2.261 10 0 BEAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203761 173058520 /nfs/dbraw/zinc/05/85/20/173058520.db2.gz PGPJLFCSSHKVMW-RYUDHWBXSA-N 2 0 246.345 2.448 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000037646158 173147413 /nfs/dbraw/zinc/14/74/13/173147413.db2.gz PPJNBJFARYDRJT-IUODEOHRSA-N 2 0 230.355 2.215 10 0 BEAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccc(Cl)c2)C1 ZINC000257624427 173149086 /nfs/dbraw/zinc/14/90/86/173149086.db2.gz BKXPARMUWPCNJD-AAEUAGOBSA-N 2 0 238.762 2.162 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000045630712 173322878 /nfs/dbraw/zinc/32/28/78/173322878.db2.gz XLDLUWVYKDDWDR-LBPRGKRZSA-N 2 0 208.349 2.027 10 0 BEAERP C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000037255826 173324210 /nfs/dbraw/zinc/32/42/10/173324210.db2.gz WGPKQIOLQSLSIN-YPMHNXCESA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373070 173358467 /nfs/dbraw/zinc/35/84/67/173358467.db2.gz GZAMFGQAVQNIBB-ZFWWWQNUSA-N 2 0 232.371 2.474 10 0 BEAERP C[NH2+]CCc1ccc(C[NH+]2CCCC2)cc1 ZINC000083007803 173359659 /nfs/dbraw/zinc/35/96/59/173359659.db2.gz AXABIFDTGLBMKV-UHFFFAOYSA-N 2 0 218.344 2.044 10 0 BEAERP C[NH2+]C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000040592275 173368005 /nfs/dbraw/zinc/36/80/05/173368005.db2.gz WJTNXAMNMIOTQZ-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425063 173370526 /nfs/dbraw/zinc/37/05/26/173370526.db2.gz WHPAEZSUSISYFF-KBPBESRZSA-N 2 0 240.391 2.020 10 0 BEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419382 173370629 /nfs/dbraw/zinc/37/06/29/173370629.db2.gz BTIFZQFVUGWNNT-KBPBESRZSA-N 2 0 240.391 2.018 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccsc2)C1 ZINC000061363908 173382286 /nfs/dbraw/zinc/38/22/86/173382286.db2.gz UTGXZZURKAMNBY-GHMZBOCLSA-N 2 0 224.373 2.350 10 0 BEAERP COCC[N@H+]([C@H](C)C1CC1)C1CCC([NH3+])CC1 ZINC000055144616 174285617 /nfs/dbraw/zinc/28/56/17/174285617.db2.gz BDFUVXFGRAMSEH-LMWSTFAQSA-N 2 0 240.391 2.003 10 0 BEAERP COCC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000036883488 174291262 /nfs/dbraw/zinc/29/12/62/174291262.db2.gz DMEHDONGKRYVFU-UHFFFAOYSA-N 2 0 228.380 2.006 10 0 BEAERP COc1ccc(C)cc1[C@@H](CCC[NH3+])[NH+](C)C ZINC000019673880 175079517 /nfs/dbraw/zinc/07/95/17/175079517.db2.gz VSPQCHPSQIJHTB-CYBMUJFWSA-N 2 0 236.359 2.345 10 0 BEAERP COc1ccc([C@@H](CCC[NH3+])[NH+](C)C)cc1 ZINC000019673869 175178596 /nfs/dbraw/zinc/17/85/96/175178596.db2.gz JUQACEGPOCERKX-CYBMUJFWSA-N 2 0 222.332 2.037 10 0 BEAERP COc1ccc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)cc1C ZINC000070277745 175185963 /nfs/dbraw/zinc/18/59/63/175185963.db2.gz FMVFNQBTJYBHKJ-UKRRQHHQSA-N 2 0 248.370 2.345 10 0 BEAERP COc1cccc(C[N@@H+]2CCC[NH2+]C[C@H](C)C2)c1 ZINC000049666964 175258340 /nfs/dbraw/zinc/25/83/40/175258340.db2.gz RQEGLUNJXBPATE-ZDUSSCGKSA-N 2 0 248.370 2.127 10 0 BEAERP COc1cccc([C@@H](CCC[NH3+])[NH+](C)C)c1 ZINC000019673907 175287491 /nfs/dbraw/zinc/28/74/91/175287491.db2.gz OHFBJELTFSIANY-CYBMUJFWSA-N 2 0 222.332 2.037 10 0 BEAERP COc1cccc([C@@H](CC[NH3+])C[NH+]2CCCC2)c1 ZINC000076634832 175287571 /nfs/dbraw/zinc/28/75/71/175287571.db2.gz RAHOYZRKTJDHED-AWEZNQCLSA-N 2 0 248.370 2.223 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131456343 175292407 /nfs/dbraw/zinc/29/24/07/175292407.db2.gz MHULZIDFKNLKME-AVGNSLFASA-N 2 0 248.370 2.425 10 0 BEAERP C[C@@H](Cc1ccco1)[NH2+]C1CCC([NH3+])CC1 ZINC000062772119 175774744 /nfs/dbraw/zinc/77/47/44/175774744.db2.gz DRWFSIIKTXMHEJ-UNXYVOJBSA-N 2 0 222.332 2.070 10 0 BEAERP C[C@H](CC[NH3+])[N@H+](C)[C@@H](C)c1ccccc1 ZINC000049813582 176020391 /nfs/dbraw/zinc/02/03/91/176020391.db2.gz IBPQXMMTWHMKRY-NEPJUHHUSA-N 2 0 206.333 2.417 10 0 BEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049661332 176022338 /nfs/dbraw/zinc/02/23/38/176022338.db2.gz HTXVCTKKWFBJTI-OLZOCXBDSA-N 2 0 218.344 2.289 10 0 BEAERP C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256829 176032812 /nfs/dbraw/zinc/03/28/12/176032812.db2.gz QIXMJKHXVYDBKK-QWRGUYRKSA-N 2 0 208.305 2.011 10 0 BEAERP C[C@@H](c1cccs1)[NH+]1CCC([NH3+])CC1 ZINC000026513919 176034560 /nfs/dbraw/zinc/03/45/60/176034560.db2.gz RRRDXJWBSOLIDD-VIFPVBQESA-N 2 0 210.346 2.232 10 0 BEAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC(C[NH3+])CC1 ZINC000044511941 176086504 /nfs/dbraw/zinc/08/65/04/176086504.db2.gz ISXLQVINGCMJML-DGCLKSJQSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC[NH2+]CCC1 ZINC000049665318 176086738 /nfs/dbraw/zinc/08/67/38/176086738.db2.gz WDNUUNHKJGCJIW-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000037910073 176109061 /nfs/dbraw/zinc/10/90/61/176109061.db2.gz CNWRFKAZELTYJW-SNVBAGLBSA-N 2 0 222.307 2.269 10 0 BEAERP C[C@@H]1CC[NH+](CCc2cccnc2)CC[C@@H](C)[NH2+]1 ZINC000049666863 176169621 /nfs/dbraw/zinc/16/96/21/176169621.db2.gz YLZNTTHRWOLEFY-ZIAGYGMSSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000042427465 176224357 /nfs/dbraw/zinc/22/43/57/176224357.db2.gz DPFOMVJJLYPKFN-GHMZBOCLSA-N 2 0 224.373 2.307 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)C[C@@H]1[NH3+] ZINC000068592715 176305922 /nfs/dbraw/zinc/30/59/22/176305922.db2.gz NJDHZADSNKQAJW-BZPMIXESSA-N 2 0 218.344 2.244 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[NH3+])CCC2)C1 ZINC000058082590 176360927 /nfs/dbraw/zinc/36/09/27/176360927.db2.gz SNQOPQGTOHNXKQ-VXGBXAGGSA-N 2 0 210.365 2.093 10 0 BEAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000049553058 176909450 /nfs/dbraw/zinc/90/94/50/176909450.db2.gz ITYMVIITZZLMKK-NEPJUHHUSA-N 2 0 236.359 2.383 10 0 BEAERP C[C@H](c1cccs1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527593 177049124 /nfs/dbraw/zinc/04/91/24/177049124.db2.gz MIHDNGGEPCMZHF-GHMZBOCLSA-N 2 0 224.373 2.480 10 0 BEAERP C[C@H](c1ccco1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511677 177049444 /nfs/dbraw/zinc/04/94/44/177049444.db2.gz DUOVFPUXKXCHPJ-SNVBAGLBSA-N 2 0 208.305 2.011 10 0 BEAERP C[C@H]1CCCC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000049814817 177075179 /nfs/dbraw/zinc/07/51/79/177075179.db2.gz RWGNRNBNBWXGDD-LBPRGKRZSA-N 2 0 210.365 2.380 10 0 BEAERP C[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764267 177075764 /nfs/dbraw/zinc/07/57/64/177075764.db2.gz MEBMBLCNLWDAQX-STQMWFEESA-N 2 0 210.365 2.393 10 0 BEAERP C[C@H]1CCCC[N@@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000019482635 177077135 /nfs/dbraw/zinc/07/71/35/177077135.db2.gz ZILRBMXBUYMYDY-NSHDSACASA-N 2 0 231.343 2.345 10 0 BEAERP C[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731289 177099203 /nfs/dbraw/zinc/09/92/03/177099203.db2.gz BKHQVEDNCZWDCA-DZGCQCFKSA-N 2 0 232.371 2.461 10 0 BEAERP C[C@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081467 177100490 /nfs/dbraw/zinc/10/04/90/177100490.db2.gz ROEZKSQLMWMKKZ-AVGNSLFASA-N 2 0 210.365 2.236 10 0 BEAERP C[C@H]1CCC[N@H+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019479780 177102493 /nfs/dbraw/zinc/10/24/93/177102493.db2.gz JCGWXAHNHDWHOL-NSHDSACASA-N 2 0 231.343 2.203 10 0 BEAERP C[C@H]1CCC[C@@H]([NH+]2CCC[NH2+]CCC2)C1 ZINC000049665923 177121293 /nfs/dbraw/zinc/12/12/93/177121293.db2.gz YLBNJPUCWCPLDD-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1[C@H]([NH2+]C2CC[NH2+]CC2)CCC[C@@H]1C ZINC000038040604 177123229 /nfs/dbraw/zinc/12/32/29/177123229.db2.gz GLILUBLVMICMFH-DMDPSCGWSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCC[NH2+]C1 ZINC000019507013 177132019 /nfs/dbraw/zinc/13/20/19/177132019.db2.gz YTQFOZSUKFBQCQ-RWMBFGLXSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@H]1CCC[C@H]([N@H+](C)C2CC[NH2+]CC2)C1 ZINC000042493389 177134797 /nfs/dbraw/zinc/13/47/97/177134797.db2.gz ABOAHFDVBCZSAG-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CC2CCC2)C1 ZINC000044390313 177158099 /nfs/dbraw/zinc/15/80/99/177158099.db2.gz VXONAOUWCMQCJO-NEPJUHHUSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CC2CCCC2)C1 ZINC000049666017 177158954 /nfs/dbraw/zinc/15/89/54/177158954.db2.gz DZXQOSJWCUSAPL-OLZOCXBDSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666680 177169597 /nfs/dbraw/zinc/16/95/97/177169597.db2.gz XINNRMQKLWURFW-RDBSUJKOSA-N 2 0 247.386 2.463 10 0 BEAERP C[C@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C[C@@H]1C ZINC000082835955 177193082 /nfs/dbraw/zinc/19/30/82/177193082.db2.gz HZVHIPHFEIJXIH-RWMBFGLXSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H]1C[N@H+](CCCC[NH2+]C(C)(C)C)CCCO1 ZINC000061935694 177248482 /nfs/dbraw/zinc/24/84/82/177248482.db2.gz BTKFYQNCBKZETO-ZDUSSCGKSA-N 2 0 242.407 2.266 10 0 BEAERP C[C@@H](c1ccco1)[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000044390344 177281874 /nfs/dbraw/zinc/28/18/74/177281874.db2.gz DSSPEHQGLUFOIK-RYUDHWBXSA-N 2 0 222.332 2.272 10 0 BEAERP C[C@H]1C[NH2+]CCC[N@H+](CCC2CCCC2)C1 ZINC000049666900 177281903 /nfs/dbraw/zinc/28/19/03/177281903.db2.gz SRSXRLSTGHWAEB-ZDUSSCGKSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H](c1cccnc1)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666654 177285416 /nfs/dbraw/zinc/28/54/16/177285416.db2.gz IEJZGRCNCZVRBA-MJBXVCDLSA-N 2 0 247.386 2.320 10 0 BEAERP C[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666683 177285570 /nfs/dbraw/zinc/28/55/70/177285570.db2.gz WIYGNGHTTDNASJ-MJBXVCDLSA-N 2 0 247.386 2.320 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2occc2C[NH3+])C1 ZINC000052420646 177315493 /nfs/dbraw/zinc/31/54/93/177315493.db2.gz YPJLCHKVUMRXSG-PHIMTYICSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000026515081 177358689 /nfs/dbraw/zinc/35/86/89/177358689.db2.gz DFIGHHKRSRRDCH-IHRRRGAJSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000400325068 224988095 /nfs/dbraw/zinc/98/80/95/224988095.db2.gz DDGPRLCVZLHSLU-VXGBXAGGSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400317786 226340319 /nfs/dbraw/zinc/34/03/19/226340319.db2.gz ADAAYDOAXQPFIF-NDBYEHHHSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400347719 226341309 /nfs/dbraw/zinc/34/13/09/226341309.db2.gz IFXOHRJNOLCYLI-DZGCQCFKSA-N 2 0 232.371 2.125 10 0 BEAERP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400701004 226349448 /nfs/dbraw/zinc/34/94/48/226349448.db2.gz KEDLEBVNBWYSLE-PWSUYJOCSA-N 2 0 238.762 2.428 10 0 BEAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000398335597 262731794 /nfs/dbraw/zinc/73/17/94/262731794.db2.gz KGZSPMPTPVGQLC-FRRDWIJNSA-N 2 0 210.365 2.012 10 0 BEAERP Cc1cc(NC[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000082575557 487678424 /nfs/dbraw/zinc/67/84/24/487678424.db2.gz ADJXUFVJDFRXEP-VIFPVBQESA-N 2 0 215.300 2.302 10 0 BEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)c2ccccc21 ZINC000252766911 487833347 /nfs/dbraw/zinc/83/33/47/487833347.db2.gz GIKYBLNNYYEAMX-DRABBMOASA-N 2 0 246.354 2.024 10 0 BEAERP CCCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400457921 528061536 /nfs/dbraw/zinc/06/15/36/528061536.db2.gz QNLOPWCEMBCMRA-NWDGAFQWSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000666743705 487869571 /nfs/dbraw/zinc/86/95/71/487869571.db2.gz OUARPOHTBFNGAH-WXHSDQCUSA-N 2 0 210.365 2.282 10 0 BEAERP CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000570262391 323054424 /nfs/dbraw/zinc/05/44/24/323054424.db2.gz QHKRNRVBADWGTE-NEPJUHHUSA-N 2 0 212.381 2.400 10 0 BEAERP CCSCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570624404 323064787 /nfs/dbraw/zinc/06/47/87/323064787.db2.gz LYDOXDGNPSHXNS-NWDGAFQWSA-N 2 0 230.421 2.107 10 0 BEAERP C([NH2+][C@H]1CCCC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000414899752 323151877 /nfs/dbraw/zinc/15/18/77/323151877.db2.gz CSHMPBWUKPADBF-YUTCNCBUSA-N 2 0 222.376 2.154 10 0 BEAERP CCCC[NH+]1CCC([NH2+]C[C@@H](C)COC)CC1 ZINC000131853076 325187625 /nfs/dbraw/zinc/18/76/25/325187625.db2.gz SBOQXCZYNVZFHV-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@H]1CCC[NH2+]C1 ZINC000566090825 325992716 /nfs/dbraw/zinc/99/27/16/325992716.db2.gz DIBQBMRSTNZAHA-AVGNSLFASA-N 2 0 242.432 2.250 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000566672543 326072435 /nfs/dbraw/zinc/07/24/35/326072435.db2.gz CXQCNJIMHAXBAS-XQQFMLRXSA-N 2 0 242.432 2.107 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084220742 488038610 /nfs/dbraw/zinc/03/86/10/488038610.db2.gz MUNGLKRJUGMNFX-RTXFEEFZSA-N 2 0 238.400 2.396 10 0 BEAERP Cc1cc[nH+]c(NCCC2CC[NH2+]CC2)c1 ZINC000257647461 488076422 /nfs/dbraw/zinc/07/64/22/488076422.db2.gz IVRBDOYXYFFVFA-UHFFFAOYSA-N 2 0 219.332 2.192 10 0 BEAERP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]CC1 ZINC000403137055 488115154 /nfs/dbraw/zinc/11/51/54/488115154.db2.gz CBBUDLBWOURMTJ-APIJFGDWSA-N 2 0 236.403 2.497 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400944077 491069171 /nfs/dbraw/zinc/06/91/71/491069171.db2.gz CIILHAXTNUUFJZ-KSTCHIGDSA-N 2 0 222.376 2.153 10 0 BEAERP CCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757126546 582501589 /nfs/dbraw/zinc/50/15/89/582501589.db2.gz GCLUMCHJSSWNID-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128224 582502986 /nfs/dbraw/zinc/50/29/86/582502986.db2.gz JMVFACMNFOHGFJ-TZMCWYRMSA-N 2 0 222.376 2.251 10 0 BEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757139595 582519938 /nfs/dbraw/zinc/51/99/38/582519938.db2.gz GZOKYQSHJJMQLB-UHFFFAOYSA-N 2 0 240.391 2.081 10 0 BEAERP C[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400367996 533721112 /nfs/dbraw/zinc/72/11/12/533721112.db2.gz FVSCFRXPMJCDSD-GRYCIOLGSA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H]([NH2+]CC1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400553040 533838953 /nfs/dbraw/zinc/83/89/53/533838953.db2.gz YIRZBLARLPRPMD-GNRIBBGQSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400501076 533840656 /nfs/dbraw/zinc/84/06/56/533840656.db2.gz IOUFJYBEMJHDQR-JSGCOSHPSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400391882 533880405 /nfs/dbraw/zinc/88/04/05/533880405.db2.gz NMOSNFXIAQIZTQ-TUAOUCFPSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400507183 533880854 /nfs/dbraw/zinc/88/08/54/533880854.db2.gz DRORBENTZCJUCY-AVGNSLFASA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400507184 533904754 /nfs/dbraw/zinc/90/47/54/533904754.db2.gz DRORBENTZCJUCY-RWMBFGLXSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000400507992 533926645 /nfs/dbraw/zinc/92/66/45/533926645.db2.gz DWDUMOOSFRMPBZ-JQWIXIFHSA-N 2 0 238.762 2.428 10 0 BEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C[C@H]1C ZINC000252475090 520596610 /nfs/dbraw/zinc/59/66/10/520596610.db2.gz SMBBDDCAEVIFFW-DGCLKSJQSA-N 2 0 210.365 2.391 10 0 BEAERP CC(C)C1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400483254 527615017 /nfs/dbraw/zinc/61/50/17/527615017.db2.gz WSZMVLCKXRZBJC-NWDGAFQWSA-N 2 0 210.365 2.010 10 0 BEAERP CC(C)C[NH2+][C@@H]1c2ccccc2[C@H]2C[NH2+]C[C@H]21 ZINC000503713210 528067505 /nfs/dbraw/zinc/06/75/05/528067505.db2.gz VFTINDXPLPKLQE-RBSFLKMASA-N 2 0 230.355 2.290 10 0 BEAERP CC[C@H](C[NH2+]C1CC[NH2+]CC1)CC(F)(F)F ZINC000402663842 529361192 /nfs/dbraw/zinc/36/11/92/529361192.db2.gz LXHYQENXSLQAER-VIFPVBQESA-N 2 0 238.297 2.307 10 0 BEAERP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261768407 536156777 /nfs/dbraw/zinc/15/67/77/536156777.db2.gz DLYQDRYBNAEEKS-GFCCVEGCSA-N 2 0 248.370 2.038 10 0 BEAERP CCCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757124056 582499553 /nfs/dbraw/zinc/49/95/53/582499553.db2.gz BNOUIKAPGMZWBP-CHWSQXEVSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757131239 582505955 /nfs/dbraw/zinc/50/59/55/582505955.db2.gz PXKVBVDERKLGGI-OUCADQQQSA-N 2 0 222.376 2.249 10 0 BEAERP CC(C)[C@@H](C)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757133678 582509520 /nfs/dbraw/zinc/50/95/20/582509520.db2.gz UAHTZUZMAFDXND-GFCCVEGCSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757133693 582509708 /nfs/dbraw/zinc/50/97/08/582509708.db2.gz UAHTZUZMAFDXND-LBPRGKRZSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCC1CC1 ZINC000757133755 582510437 /nfs/dbraw/zinc/51/04/37/582510437.db2.gz UEEGGKJLMWBYIS-GXTWGEPZSA-N 2 0 222.376 2.393 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757134998 582514340 /nfs/dbraw/zinc/51/43/40/582514340.db2.gz XTUUDHBNECBTHM-IHRRRGAJSA-N 2 0 224.392 2.495 10 0 BEAERP CCC1(CC)C[NH2+][C@]2(CCC[N@H+](C)CC2)OC1 ZINC000757152915 582537632 /nfs/dbraw/zinc/53/76/32/582537632.db2.gz VFNIOCVMRQJUAG-CQSZACIVSA-N 2 0 240.391 2.225 10 0 BEAERP CC(=O)c1ccc([C@@H]2[NH2+][C@H](C)CC[C@H]2C[NH3+])cc1 ZINC000757218009 582562511 /nfs/dbraw/zinc/56/25/11/582562511.db2.gz UMTKNVQIJNRTKN-ONERCXAPSA-N 2 0 246.354 2.277 10 0 BEAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757126657 586425988 /nfs/dbraw/zinc/42/59/88/586425988.db2.gz GGLPYBCRSVCGPH-JSGCOSHPSA-N 2 0 222.376 2.393 10 0 BEAERP CC1(c2ccc([C@H]3C[NH2+]CC[C@@H]3[NH3+])cc2)CC1 ZINC000757211803 586438991 /nfs/dbraw/zinc/43/89/91/586438991.db2.gz IUGJZYGCLDZVDV-KGLIPLIRSA-N 2 0 230.355 2.142 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccs2)[NH2+]1 ZINC000757213452 586439835 /nfs/dbraw/zinc/43/98/35/586439835.db2.gz KHJKMHRGQKGJHK-FXPVBKGRSA-N 2 0 210.346 2.136 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccs2)[NH2+]1 ZINC000757213457 586439945 /nfs/dbraw/zinc/43/99/45/586439945.db2.gz KHJKMHRGQKGJHK-WCABBAIRSA-N 2 0 210.346 2.136 10 0 BEAERP C[C@H]1CC[C@H](c2ccc(C[NH3+])cc2)[NH2+]C1 ZINC000757216732 586441054 /nfs/dbraw/zinc/44/10/54/586441054.db2.gz QOKMVGYXROYDNK-GXFFZTMASA-N 2 0 204.317 2.206 10 0 BEAERP C[C@H]1CC[C@@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757216464 586441071 /nfs/dbraw/zinc/44/10/71/586441071.db2.gz PRAOCHHZTZVDRA-GWCFXTLKSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217909 586441756 /nfs/dbraw/zinc/44/17/56/586441756.db2.gz TZJIIASWNBHJEX-RBDSIQFVSA-N 2 0 246.354 2.133 10 0 BEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217899 586441934 /nfs/dbraw/zinc/44/19/34/586441934.db2.gz TZJIIASWNBHJEX-IDTSFGKNSA-N 2 0 246.354 2.133 10 0 BEAERP CC(=O)c1ccc([C@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cc1 ZINC000757219681 586442006 /nfs/dbraw/zinc/44/20/06/586442006.db2.gz ZBOXRWIXTJRMEY-SWLSCSKDSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@H]1CC(c2cccc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000757220715 586442446 /nfs/dbraw/zinc/44/24/46/586442446.db2.gz ZHVFQKQQSUKLIX-QWRGUYRKSA-N 2 0 218.344 2.389 10 0 BEAERP C[C@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757220866 586442606 /nfs/dbraw/zinc/44/26/06/586442606.db2.gz ZTGDPDUYTUYCTF-GXFFZTMASA-N 2 0 204.317 2.206 10 0 BEAERP [NH3+][C@H]1CC[NH2+]C[C@H]1c1cscc1C(F)F ZINC000757235584 586443259 /nfs/dbraw/zinc/44/32/59/586443259.db2.gz LUIPONUDDQMSTF-RCOVLWMOSA-N 2 0 232.299 2.090 10 0 BEAERP C[C@H]1C[C@@H](c2cccc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000757233048 586443439 /nfs/dbraw/zinc/44/34/39/586443439.db2.gz JMMAPUJBDVGIOW-AAEUAGOBSA-N 2 0 230.355 2.188 10 0 BEAERP C[C@@H]1C[C@H](c2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC000757237344 586443533 /nfs/dbraw/zinc/44/35/33/586443533.db2.gz PXJPQWABQCYCPV-VXGBXAGGSA-N 2 0 230.355 2.188 10 0 BEAERP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122308969 633206246 /nfs/dbraw/zinc/20/62/46/633206246.db2.gz RYAXDYAIASELGX-UKRRQHHQSA-N 2 0 232.371 2.146 10 0 BEAERP CC[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000037478552 711466952 /nfs/dbraw/zinc/46/69/52/711466952.db2.gz LSGKCNZRKRNOQM-CYBMUJFWSA-N 2 0 210.365 2.393 10 0 BEAERP CC(C)CCCC[NH2+]CCC[NH+](C)C ZINC000125767542 641972124 /nfs/dbraw/zinc/97/21/24/641972124.db2.gz GMSVZEKEHHMOIX-UHFFFAOYSA-N 2 0 200.370 2.354 10 0 BEAERP Cc1cccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000074204361 643653306 /nfs/dbraw/zinc/65/33/06/643653306.db2.gz LVJRACXGEULFOF-CHWSQXEVSA-N 2 0 204.317 2.089 10 0 BEAERP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074204369 643654746 /nfs/dbraw/zinc/65/47/46/643654746.db2.gz YVHHPBHDNOEETG-STQMWFEESA-N 2 0 204.317 2.089 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000685951911 644518767 /nfs/dbraw/zinc/51/87/67/644518767.db2.gz ZAVXHTSGWWHUDN-LPWJVIDDSA-N 2 0 224.392 2.493 10 0 BEAERP C[C@H]([NH2+]CCCCC1CC1)[C@H]1CC[NH2+]C1 ZINC000716371098 712556872 /nfs/dbraw/zinc/55/68/72/712556872.db2.gz VTEUHMFNQDMLHP-AAEUAGOBSA-N 2 0 210.365 2.154 10 0 BEAERP [NH3+]C1CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000717067982 712627263 /nfs/dbraw/zinc/62/72/63/712627263.db2.gz OMEPDRFBQLLRET-GMZKHCIJSA-N 2 0 222.376 2.282 10 0 BEAERP C[C@@H]([NH2+]C1CCC=CCC1)[C@H]1CC[NH2+]C1 ZINC000718016400 712736319 /nfs/dbraw/zinc/73/63/19/712736319.db2.gz BDIPXOQUOXSSJZ-NEPJUHHUSA-N 2 0 208.349 2.073 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000720898629 712874917 /nfs/dbraw/zinc/87/49/17/712874917.db2.gz CITQPTSXGDSBIQ-NXEZZACHSA-N 2 0 232.318 2.009 10 0 BEAERP C[NH+](C)CCCC[NH2+]CCc1ccccc1 ZINC000045662999 711488211 /nfs/dbraw/zinc/48/82/11/711488211.db2.gz OWXDKHPKZCCDQH-UHFFFAOYSA-N 2 0 220.360 2.161 10 0 BEAERP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCOC1 ZINC000723990164 711551748 /nfs/dbraw/zinc/55/17/48/711551748.db2.gz XTLWXFPUALAVIV-RYSNWHEDSA-N 2 0 240.391 2.051 10 0 BEAERP C[C@@H]([NH2+]CCC1CC=CC1)[C@@H]1CCC[NH2+]C1 ZINC000724184559 711567794 /nfs/dbraw/zinc/56/77/94/711567794.db2.gz KMXRJLLSULXLKH-TZMCWYRMSA-N 2 0 222.376 2.320 10 0 BEAERP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231737 711691427 /nfs/dbraw/zinc/69/14/27/711691427.db2.gz BKOKHDKCWOHQRU-QNWHQSFQSA-N 2 0 210.365 2.377 10 0 BEAERP C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000712493233 712431118 /nfs/dbraw/zinc/43/11/18/712431118.db2.gz BUPNBQMFQQWBKC-IKOXMDCHSA-N 2 0 222.376 2.153 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@H](C)CCCOC)CC1 ZINC000714753122 712497269 /nfs/dbraw/zinc/49/72/69/712497269.db2.gz HAWNJTHUZUACNJ-GFCCVEGCSA-N 2 0 228.380 2.005 10 0 BEAERP CC[C@H](C1CC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753962 712497693 /nfs/dbraw/zinc/49/76/93/712497693.db2.gz ODSSXUPYDLIIEY-GFCCVEGCSA-N 2 0 210.365 2.378 10 0 BEAERP Cc1cc(NC[C@H]2C[C@@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000715096801 712508597 /nfs/dbraw/zinc/50/85/97/712508597.db2.gz NBWISEITIZRLIB-TXEJJXNPSA-N 2 0 241.338 2.114 10 0 BEAERP Cc1cc(NC[C@H]2C[C@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000715114005 712509847 /nfs/dbraw/zinc/50/98/47/712509847.db2.gz NBWISEITIZRLIB-HAQNSBGRSA-N 2 0 241.338 2.114 10 0 BEAERP C[C@@H]([NH2+]C1CCC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000718041223 712737902 /nfs/dbraw/zinc/73/79/02/712737902.db2.gz ZFCDTQJSFYCFCS-CHWSQXEVSA-N 2 0 222.376 2.463 10 0 BEAERP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000720898634 712875299 /nfs/dbraw/zinc/87/52/99/712875299.db2.gz CITQPTSXGDSBIQ-VHSXEESVSA-N 2 0 232.318 2.009 10 0 BEAERP CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C ZINC000685955250 538900613 /nfs/dbraw/zinc/90/06/13/538900613.db2.gz WUIIPRXCKGSHRG-OTTFEQOBSA-N 2 0 210.365 2.378 10 0 BEAERP CCC(CC)(C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744724 168322590 /nfs/dbraw/zinc/32/25/90/168322590.db2.gz BADXWYQFAVUMML-UHFFFAOYSA-N 2 0 243.439 2.024 10 0 BEAERP C[C@@H]([N@H+](C)C[C@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000062912004 349496350 /nfs/dbraw/zinc/49/63/50/349496350.db2.gz VHKPDJACYGASJG-DGCLKSJQSA-N 2 0 212.381 2.352 10 0 BEAERP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000052790506 178022538 /nfs/dbraw/zinc/02/25/38/178022538.db2.gz CXMHYJKFWPBBKK-AWEZNQCLSA-N 2 0 249.402 2.073 10 0 BEAERP CCC1([N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000536954525 398198069 /nfs/dbraw/zinc/19/80/69/398198069.db2.gz NUDQZARQWZVUMF-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000576742964 365672694 /nfs/dbraw/zinc/67/26/94/365672694.db2.gz MZGURPUZXBAUFC-OCCSQVGLSA-N 2 0 222.376 2.465 10 0 BEAERP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381596805 398265870 /nfs/dbraw/zinc/26/58/70/398265870.db2.gz FPLNFIPFJYBLPA-VXGBXAGGSA-N 2 0 246.345 2.353 10 0 BEAERP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381752835 398271149 /nfs/dbraw/zinc/27/11/49/398271149.db2.gz WCZCIUIDEFHICB-NSHDSACASA-N 2 0 234.334 2.353 10 0 BEAERP CC[C@@H]1CN(C/C(C)=C\Cl)CCC[NH2+]1 ZINC000308461115 342814762 /nfs/dbraw/zinc/81/47/62/342814762.db2.gz WKZPJBXXRPRCBH-ZJRUKIMVSA-N 2 0 216.756 2.203 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000050566554 539011182 /nfs/dbraw/zinc/01/11/82/539011182.db2.gz OXFMRIAUDDFZDK-NWDGAFQWSA-N 2 0 210.365 2.249 10 0 BEAERP CN(CC[NH2+]CC1CC1)C1CCCCC1 ZINC000037478504 342937039 /nfs/dbraw/zinc/93/70/39/342937039.db2.gz UXSWHVSXUWICHG-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH+](CC)Cc1ccc(CC[NH3+])cc1 ZINC000035855120 343142914 /nfs/dbraw/zinc/14/29/14/343142914.db2.gz IUEUTXMLGUDPDJ-UHFFFAOYSA-N 2 0 206.333 2.030 10 0 BEAERP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400362211 259354097 /nfs/dbraw/zinc/35/40/97/259354097.db2.gz DLNFJEIOBWPIKY-GXFFZTMASA-N 2 0 222.376 2.010 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657773 343503887 /nfs/dbraw/zinc/50/38/87/343503887.db2.gz WHVICIVLOGPDPJ-MQYQWHSLSA-N 2 0 224.392 2.351 10 0 BEAERP CCSCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133778248 344322245 /nfs/dbraw/zinc/32/22/45/344322245.db2.gz QOFXLVKKIMIDSI-VXGBXAGGSA-N 2 0 230.421 2.250 10 0 BEAERP C[C@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2ccccc21 ZINC000385175039 344360394 /nfs/dbraw/zinc/36/03/94/344360394.db2.gz GVSNNOBNBMVJQS-WDEREUQCSA-N 2 0 227.311 2.161 10 0 BEAERP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCC[NH2+]2)C1 ZINC000100289070 344411223 /nfs/dbraw/zinc/41/12/23/344411223.db2.gz SJSOQIPWFQABOH-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP CCC[C@@H](C)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049553623 344653210 /nfs/dbraw/zinc/65/32/10/344653210.db2.gz IOXJCLCDXLUSLA-VXGBXAGGSA-N 2 0 200.370 2.352 10 0 BEAERP CC[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1 ZINC000127762397 344644565 /nfs/dbraw/zinc/64/45/65/344644565.db2.gz CZYNVWVBJARFSY-ZDUSSCGKSA-N 2 0 206.333 2.246 10 0 BEAERP C[NH+]1CCC(C[NH3+])(CCc2ccccc2)CC1 ZINC000211719571 344685563 /nfs/dbraw/zinc/68/55/63/344685563.db2.gz DLEDHBWDPBKENJ-UHFFFAOYSA-N 2 0 232.371 2.290 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(C)cc1 ZINC000675053197 537862065 /nfs/dbraw/zinc/86/20/65/537862065.db2.gz HMGKDBDVSZWNOB-UONOGXRCSA-N 2 0 218.344 2.479 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(C)cc1 ZINC000675053192 537862535 /nfs/dbraw/zinc/86/25/35/537862535.db2.gz HMGKDBDVSZWNOB-KGLIPLIRSA-N 2 0 218.344 2.479 10 0 BEAERP C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000230903945 349922320 /nfs/dbraw/zinc/92/23/20/349922320.db2.gz DTDOFYNAYVGQID-AWEZNQCLSA-N 2 0 218.344 2.118 10 0 BEAERP C[C@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000634998824 345199318 /nfs/dbraw/zinc/19/93/18/345199318.db2.gz LNMBPUFFIDWKEM-GNRIBBGQSA-N 2 0 224.392 2.339 10 0 BEAERP CCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000635019659 345222553 /nfs/dbraw/zinc/22/25/53/345222553.db2.gz JDJCXJYRYHPLRT-RYUDHWBXSA-N 2 0 212.381 2.400 10 0 BEAERP CCC(C)(C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000635019657 345222762 /nfs/dbraw/zinc/22/27/62/345222762.db2.gz JDJCXJYRYHPLRT-NEPJUHHUSA-N 2 0 212.381 2.400 10 0 BEAERP CC(F)(F)CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390243786 259383708 /nfs/dbraw/zinc/38/37/08/259383708.db2.gz PMRPGIJVVYIYBK-SNVBAGLBSA-N 2 0 220.307 2.154 10 0 BEAERP CC1(C)CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000061821237 537904753 /nfs/dbraw/zinc/90/47/53/537904753.db2.gz SMNRROJKSUQCAO-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400749603 345733698 /nfs/dbraw/zinc/73/36/98/345733698.db2.gz VFRKUTGRAISOEM-MDZLAQPJSA-N 2 0 238.400 2.267 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400749616 345734268 /nfs/dbraw/zinc/73/42/68/345734268.db2.gz VFRKUTGRAISOEM-WZRBSPASSA-N 2 0 238.400 2.267 10 0 BEAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)C[NH3+])c1 ZINC000042435682 179065686 /nfs/dbraw/zinc/06/56/86/179065686.db2.gz BQCANXPJJFFOHJ-LBPRGKRZSA-N 2 0 206.333 2.022 10 0 BEAERP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577161773 365848029 /nfs/dbraw/zinc/84/80/29/365848029.db2.gz RAPDVESTPNJPBE-KXUCPTDWSA-N 2 0 238.297 2.305 10 0 BEAERP Cc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484586 179280850 /nfs/dbraw/zinc/28/08/50/179280850.db2.gz IXMGXTWWTYCGOK-CYBMUJFWSA-N 2 0 218.344 2.036 10 0 BEAERP Cc1[nH+]ccc(NC[C@H](C)C[NH3+])c1Cl ZINC000307633613 180199922 /nfs/dbraw/zinc/19/99/22/180199922.db2.gz RNTSIGLIRYOQEJ-SSDOTTSWSA-N 2 0 213.712 2.050 10 0 BEAERP Cc1nccc(NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000131489132 180201610 /nfs/dbraw/zinc/20/16/10/180201610.db2.gz IVHMKCHPDNOABT-CYBMUJFWSA-N 2 0 248.374 2.317 10 0 BEAERP CC(C)(C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000616620160 350933535 /nfs/dbraw/zinc/93/35/35/350933535.db2.gz GLVNWVZXBWKOPW-LLVKDONJSA-N 2 0 207.321 2.319 10 0 BEAERP C[C@@H]1C/C(=C/C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000307047404 351447387 /nfs/dbraw/zinc/44/73/87/351447387.db2.gz FIEGIEYTXGRTDN-AISSWFOISA-N 2 0 216.328 2.166 10 0 BEAERP C[C@@H]1CCC[C@H](C2=CC[C@@](C)([NH3+])CC2)[NH2+]1 ZINC000725273174 538104436 /nfs/dbraw/zinc/10/44/36/538104436.db2.gz WRCYSXCVGVYPSH-RAIGVLPGSA-N 2 0 208.349 2.345 10 0 BEAERP C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380758 188086153 /nfs/dbraw/zinc/08/61/53/188086153.db2.gz WGVAHBURXCRAAF-BETUJISGSA-N 2 0 248.370 2.015 10 0 BEAERP Cc1cc(N[C@@H](C)CCCC[NH3+])cc[nH+]1 ZINC000308865140 188164973 /nfs/dbraw/zinc/16/49/73/188164973.db2.gz WOJRYSGURYCXKI-JTQLQIEISA-N 2 0 207.321 2.319 10 0 BEAERP Cc1ccc([C@H]([NH2+]CCC[NH3+])C2CC2)cc1 ZINC000037713745 358476715 /nfs/dbraw/zinc/47/67/15/358476715.db2.gz GZSKZTVKJJWWJV-AWEZNQCLSA-N 2 0 218.344 2.385 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405531353 353795667 /nfs/dbraw/zinc/79/56/67/353795667.db2.gz YGWVVJKRVGTKKO-STQMWFEESA-N 2 0 218.344 2.244 10 0 BEAERP NC(=[NH2+])c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC000019474173 181194513 /nfs/dbraw/zinc/19/45/13/181194513.db2.gz IVDMSQHDHLXVTH-UHFFFAOYSA-N 2 0 235.306 2.096 10 0 BEAERP CCOc1ccccc1C[NH2+][C@@H]1CCN(CC)C1 ZINC000389194672 355835660 /nfs/dbraw/zinc/83/56/60/355835660.db2.gz WRWGZKXXSMNWKH-CQSZACIVSA-N 2 0 248.370 2.269 10 0 BEAERP C[C@H]1CCCC[N@@H+]1C1CC2(C1)CC[NH2+]CC2 ZINC000675069638 538499013 /nfs/dbraw/zinc/49/90/13/538499013.db2.gz JPITUALBLXATKN-LBPRGKRZSA-N 2 0 222.376 2.393 10 0 BEAERP CC[N@H+](CC(C)C)C1CC2(C1)CC[NH2+]CC2 ZINC000675070039 538499707 /nfs/dbraw/zinc/49/97/07/538499707.db2.gz OSZHXOAEHAMCOU-UHFFFAOYSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@H]([NH3+])CCNc1cc[nH+]c2ccccc12 ZINC000063171420 357553024 /nfs/dbraw/zinc/55/30/24/357553024.db2.gz IQZCDSGBHSEGDS-JTQLQIEISA-N 2 0 215.300 2.384 10 0 BEAERP C[C@@H]1CCC[C@H](C2CCC3(C[C@@H]3[NH3+])CC2)[NH2+]1 ZINC000685950505 538893892 /nfs/dbraw/zinc/89/38/92/538893892.db2.gz RXLBHCQWOJXNQG-HUEPFSFMSA-N 2 0 222.376 2.425 10 0 BEAERP CCC1CC[NH+](C2[C@H](C)C[NH2+]C[C@H]2C)CC1 ZINC000685950575 538893985 /nfs/dbraw/zinc/89/39/85/538893985.db2.gz BFSFYMSQRNZHGV-VXGBXAGGSA-N 2 0 224.392 2.352 10 0 BEAERP CC[C@@H]1CCC[N@@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685950844 538894401 /nfs/dbraw/zinc/89/44/01/538894401.db2.gz FETHWMACROPDLE-JHJVBQTASA-N 2 0 224.392 2.352 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CCC(C)(C)CC1 ZINC000685950805 538894843 /nfs/dbraw/zinc/89/48/43/538894843.db2.gz DJSOQFFOTXNLLN-RYUDHWBXSA-N 2 0 224.392 2.352 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000685951473 538895135 /nfs/dbraw/zinc/89/51/35/538895135.db2.gz VHIJIINIUUZUBS-ITGUQSILSA-N 2 0 222.376 2.106 10 0 BEAERP C[C@@H]([N@H+](C)C[C@@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000219863013 358014507 /nfs/dbraw/zinc/01/45/07/358014507.db2.gz VHKPDJACYGASJG-YPMHNXCESA-N 2 0 212.381 2.352 10 0 BEAERP CCC[NH2+]CCC1CC[NH+](CCC)CC1 ZINC000584636958 358322234 /nfs/dbraw/zinc/32/22/34/358322234.db2.gz KSUHZUNERHXUJZ-UHFFFAOYSA-N 2 0 212.381 2.498 10 0 BEAERP C[C@]1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000219865247 134292249 /nfs/dbraw/zinc/29/22/49/134292249.db2.gz MNRPAPMXGASSBW-CVEARBPZSA-N 2 0 244.382 2.476 10 0 BEAERP C[C@H](CC[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000134272187 358784527 /nfs/dbraw/zinc/78/45/27/358784527.db2.gz WPFXJDAIGGQONV-SNVBAGLBSA-N 2 0 215.300 2.384 10 0 BEAERP CCN1C[C@H]([NH2+][C@@H](C)C2CCC2)[C@@H](C)C1 ZINC000309044804 491143322 /nfs/dbraw/zinc/14/33/22/491143322.db2.gz NTFHGRDLZUIELD-GVXVVHGQSA-N 2 0 210.365 2.105 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCC12CC2 ZINC000629553924 361440372 /nfs/dbraw/zinc/44/03/72/361440372.db2.gz DSWCCZXQIILQSW-QWHCGFSZSA-N 2 0 222.376 2.298 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000629554333 361441768 /nfs/dbraw/zinc/44/17/68/361441768.db2.gz HUUBBIFKIBVDEY-RWMBFGLXSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000629554336 361441866 /nfs/dbraw/zinc/44/18/66/361441866.db2.gz HUUBBIFKIBVDEY-XQQFMLRXSA-N 2 0 222.376 2.154 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630357201 364079535 /nfs/dbraw/zinc/07/95/35/364079535.db2.gz COTQNSZZEDMAQW-TZMCWYRMSA-N 2 0 242.407 2.251 10 0 BEAERP C[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000630568775 364264620 /nfs/dbraw/zinc/26/46/20/364264620.db2.gz KHRGEUAJCSIVIG-NWDGAFQWSA-N 2 0 241.338 2.266 10 0 BEAERP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573830846 364927184 /nfs/dbraw/zinc/92/71/84/364927184.db2.gz MUHIGRQFCISIOV-LOWDOPEQSA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]CCCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000049580717 181375579 /nfs/dbraw/zinc/37/55/79/181375579.db2.gz WWJAKBXNIFEWTN-CQSZACIVSA-N 2 0 233.359 2.348 10 0 BEAERP C([NH2+][C@H]1CCC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000168765061 365000761 /nfs/dbraw/zinc/00/07/61/365000761.db2.gz WAXGKQOQDCUMPZ-ZDUSSCGKSA-N 2 0 222.376 2.154 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000168765154 365001209 /nfs/dbraw/zinc/00/12/09/365001209.db2.gz WAXGKQOQDCUMPZ-CYBMUJFWSA-N 2 0 222.376 2.154 10 0 BEAERP [NH3+]CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000042373160 181383121 /nfs/dbraw/zinc/38/31/21/181383121.db2.gz NNMMOYHBBYWRAL-CYBMUJFWSA-N 2 0 204.317 2.076 10 0 BEAERP C[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000581364060 367393897 /nfs/dbraw/zinc/39/38/97/367393897.db2.gz PGKAJYMAMRCLAA-QWRGUYRKSA-N 2 0 234.334 2.400 10 0 BEAERP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000581720407 367783128 /nfs/dbraw/zinc/78/31/28/367783128.db2.gz STEYQSJBQZEDSZ-JQWIXIFHSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2ccccc21 ZINC000385175023 367805240 /nfs/dbraw/zinc/80/52/40/367805240.db2.gz GVSNNOBNBMVJQS-MNOVXSKESA-N 2 0 227.311 2.161 10 0 BEAERP Cc1cccc(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839691 369170652 /nfs/dbraw/zinc/17/06/52/369170652.db2.gz JRSKBYAHNSJXSG-KBPBESRZSA-N 2 0 232.371 2.330 10 0 BEAERP C[C@@](C[NH3+])(CC1CC1)NCc1ccccc1 ZINC000229716411 372184728 /nfs/dbraw/zinc/18/47/28/372184728.db2.gz JTCSTISYKBWNTM-AWEZNQCLSA-N 2 0 218.344 2.294 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837122 372627689 /nfs/dbraw/zinc/62/76/89/372627689.db2.gz NBLOHWQOODGQFJ-HBNTYKKESA-N 2 0 234.334 2.194 10 0 BEAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839552 372635933 /nfs/dbraw/zinc/63/59/33/372635933.db2.gz HRABYVDZHUTUSH-MDZLAQPJSA-N 2 0 236.334 2.413 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843889 372641416 /nfs/dbraw/zinc/64/14/16/372641416.db2.gz SYWXCOLVSSPUKJ-JSGCOSHPSA-N 2 0 218.344 2.022 10 0 BEAERP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631845162 372643145 /nfs/dbraw/zinc/64/31/45/372643145.db2.gz UVCIDVCTSUUJOK-JQWIXIFHSA-N 2 0 238.762 2.367 10 0 BEAERP CCC[NH+](CCC)C[C@@]1(C[NH2+]CC)CCOC1 ZINC000051211301 169149588 /nfs/dbraw/zinc/14/95/88/169149588.db2.gz PBDATEHSOXLTCM-AWEZNQCLSA-N 2 0 242.407 2.125 10 0 BEAERP CCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062615873 169195034 /nfs/dbraw/zinc/19/50/34/169195034.db2.gz AFNUPNDIYASCSJ-OAHLLOKOSA-N 2 0 232.371 2.303 10 0 BEAERP CCC[NH2+]CC(C)(C)C[N@H+](CC)CCOCC ZINC000104189715 169255854 /nfs/dbraw/zinc/25/58/54/169255854.db2.gz LSKIZFQUMLPDCA-UHFFFAOYSA-N 2 0 244.423 2.371 10 0 BEAERP CCC[NH2+]C[C@@H](OCC[NH+]1CCCC1)C(C)C ZINC000052670011 169262941 /nfs/dbraw/zinc/26/29/41/169262941.db2.gz CSCROISNUHZEGV-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+]C[C@@H](C)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000052510616 169261622 /nfs/dbraw/zinc/26/16/22/169261622.db2.gz MIQDHSPTNCBCET-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+]C[C@@H](CC)N(CCC)CC[NH+](C)C ZINC000052544133 169262333 /nfs/dbraw/zinc/26/23/33/169262333.db2.gz REUOIGPOLSAPIH-CQSZACIVSA-N 2 0 243.439 2.038 10 0 BEAERP c1ccc(C2(C[NH2+]CC3CC3)CC[NH2+]CC2)cc1 ZINC000062943799 183387933 /nfs/dbraw/zinc/38/79/33/183387933.db2.gz CHLNSSPZHXNCIU-UHFFFAOYSA-N 2 0 244.382 2.307 10 0 BEAERP CCC[NH2+]C[C@]1(C[N@H+](CC)CCC)CCOC1 ZINC000051214831 169264482 /nfs/dbraw/zinc/26/44/82/169264482.db2.gz DIWSFSVCKPBSLN-AWEZNQCLSA-N 2 0 242.407 2.125 10 0 BEAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]CC)no1 ZINC000052480616 169365433 /nfs/dbraw/zinc/36/54/33/169365433.db2.gz VYZWYUYEQNFIKQ-LLVKDONJSA-N 2 0 239.363 2.405 10 0 BEAERP CCC[C@@H]([NH3+])[C@H](CC)N(C)Cc1ccccn1 ZINC000036777346 169392497 /nfs/dbraw/zinc/39/24/97/169392497.db2.gz CDSJVUJUHHWQSK-KGLIPLIRSA-N 2 0 235.375 2.419 10 0 BEAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)CC[NH+](C)C ZINC000104200797 169399802 /nfs/dbraw/zinc/39/98/02/169399802.db2.gz UYCBJOIJEOVQSL-ZIAGYGMSSA-N 2 0 243.439 2.037 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000348149547 383900298 /nfs/dbraw/zinc/90/02/98/383900298.db2.gz KDASVDATUQJTTP-XCCSTKFXSA-N 2 0 222.376 2.247 10 0 BEAERP CC1(C)CC([NH2+]C2CCC2)CC(C)(C)[NH2+]1 ZINC000044480384 384333501 /nfs/dbraw/zinc/33/35/01/384333501.db2.gz OSGDWTONNKTQTI-UHFFFAOYSA-N 2 0 210.365 2.438 10 0 BEAERP FC1(F)CCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335661256 384464632 /nfs/dbraw/zinc/46/46/32/384464632.db2.gz FUDIYVZUMPXCEA-WDEREUQCSA-N 2 0 232.318 2.154 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1cccc(Cl)c1 ZINC000037713370 384512453 /nfs/dbraw/zinc/51/24/53/384512453.db2.gz FZZQNTWVPOLSCV-VIFPVBQESA-N 2 0 212.724 2.339 10 0 BEAERP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398325345 384704433 /nfs/dbraw/zinc/70/44/33/384704433.db2.gz OBSJPLNZYOFCLD-AWEZNQCLSA-N 2 0 248.370 2.173 10 0 BEAERP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)nc1C ZINC000313913585 384709058 /nfs/dbraw/zinc/70/90/58/384709058.db2.gz JFHWCZMQWBFRIH-UHFFFAOYSA-N 2 0 233.359 2.058 10 0 BEAERP C[NH2+][C@H](CC[C@@H]([NH2+]C)C(C)C)C(C)C ZINC000616568432 384714226 /nfs/dbraw/zinc/71/42/26/384714226.db2.gz AHSRPQKRSBVPLB-VXGBXAGGSA-N 2 0 200.370 2.255 10 0 BEAERP C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CC[NH2+]C1 ZINC000335029177 384777616 /nfs/dbraw/zinc/77/76/16/384777616.db2.gz ZCPVQSWZPNWEFR-VHSXEESVSA-N 2 0 232.318 2.152 10 0 BEAERP C[C@@]1([NH2+]C[C@@H]2CCC[NH2+]C2)CC=CCC1 ZINC000334852402 384748843 /nfs/dbraw/zinc/74/88/43/384748843.db2.gz GWFUHOQPCLJMGW-CHWSQXEVSA-N 2 0 208.349 2.074 10 0 BEAERP C[C@@H]([NH3+])CC[NH2+]Cc1coc2ccccc12 ZINC000258792736 384945461 /nfs/dbraw/zinc/94/54/61/384945461.db2.gz QJBCMQVPHKDHLL-SNVBAGLBSA-N 2 0 218.300 2.260 10 0 BEAERP Cc1c[nH+]ccc1N[C@@H](C)CCCC[NH3+] ZINC000308944846 385301381 /nfs/dbraw/zinc/30/13/81/385301381.db2.gz VYDOOFFECCEZHK-NSHDSACASA-N 2 0 207.321 2.319 10 0 BEAERP C[C@@H]1[C@H]([NH3+])CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000169616726 385415137 /nfs/dbraw/zinc/41/51/37/385415137.db2.gz NWKPWPVTPIKZQR-OUCADQQQSA-N 2 0 218.344 2.244 10 0 BEAERP Cc1[nH+]ccc(NCC[NH2+]C2CC2)c1Cl ZINC000308881965 385904796 /nfs/dbraw/zinc/90/47/96/385904796.db2.gz VUCYVBFXGUHQSO-UHFFFAOYSA-N 2 0 225.723 2.207 10 0 BEAERP [NH3+]C1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000335034138 385923199 /nfs/dbraw/zinc/92/31/99/385923199.db2.gz IQMBIKDRIFDSQZ-ILDUYXDCSA-N 2 0 232.318 2.424 10 0 BEAERP C(COC1CCCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129256679 386070896 /nfs/dbraw/zinc/07/08/96/386070896.db2.gz WYGKZLLHXDLXAG-ZDUSSCGKSA-N 2 0 240.391 2.067 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]12 ZINC000310379389 386179968 /nfs/dbraw/zinc/17/99/68/386179968.db2.gz GOOYSOJBRVWXMT-WHOHXGKFSA-N 2 0 244.329 2.091 10 0 BEAERP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414899167 386239035 /nfs/dbraw/zinc/23/90/35/386239035.db2.gz CGSHZKBWWXJHNJ-UPJWGTAASA-N 2 0 210.365 2.012 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)C1(C2CC2)CCC1 ZINC000391444885 386269610 /nfs/dbraw/zinc/26/96/10/386269610.db2.gz CYOZFUWPIHWMEH-CYBMUJFWSA-N 2 0 222.376 2.298 10 0 BEAERP CCC(CC)(CC)C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000391244046 386501486 /nfs/dbraw/zinc/50/14/86/386501486.db2.gz KXXTXANWCMGWCW-LBPRGKRZSA-N 2 0 212.381 2.402 10 0 BEAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cccnc1 ZINC000160894404 386519679 /nfs/dbraw/zinc/51/96/79/386519679.db2.gz TTWAIDKNVFEKGQ-BZPMIXESSA-N 2 0 233.359 2.263 10 0 BEAERP C[C@]1(C[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062910883 386531467 /nfs/dbraw/zinc/53/14/67/386531467.db2.gz QFRNEIPTURIHDI-HNNXBMFYSA-N 2 0 230.355 2.044 10 0 BEAERP C[C@]1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000062912329 386533374 /nfs/dbraw/zinc/53/33/74/386533374.db2.gz MNRPAPMXGASSBW-HOTGVXAUSA-N 2 0 244.382 2.476 10 0 BEAERP C[C@@H]1CC(C[NH2+]C2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000335498941 386625882 /nfs/dbraw/zinc/62/58/82/386625882.db2.gz ZGQXDFKGMLLHGF-IENTYSSBSA-N 2 0 240.391 2.050 10 0 BEAERP CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911612 386655224 /nfs/dbraw/zinc/65/52/24/386655224.db2.gz VZAOXMSZOPTONS-ZDUSSCGKSA-N 2 0 210.365 2.108 10 0 BEAERP CC(C)COCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000520393117 386662055 /nfs/dbraw/zinc/66/20/55/386662055.db2.gz COAKEVNHLFIVQQ-KBPBESRZSA-N 2 0 242.407 2.027 10 0 BEAERP Clc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398380391 386819348 /nfs/dbraw/zinc/81/93/48/386819348.db2.gz UFDCVEOWZTTXKI-NSHDSACASA-N 2 0 224.735 2.039 10 0 BEAERP Cc1ccc(C)c([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575438008 387113335 /nfs/dbraw/zinc/11/33/35/387113335.db2.gz DYEJZHPOUBRNCN-ZDUSSCGKSA-N 2 0 206.333 2.432 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000575439391 387123947 /nfs/dbraw/zinc/12/39/47/387123947.db2.gz ILIJCDVJAFOINQ-SNVBAGLBSA-N 2 0 216.687 2.218 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000575439390 387124304 /nfs/dbraw/zinc/12/43/04/387124304.db2.gz IFYVOKCGVDNPIU-SNVBAGLBSA-N 2 0 232.249 2.233 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])cc1Cl ZINC000575440174 387127150 /nfs/dbraw/zinc/12/71/50/387127150.db2.gz MHNJJUWMKGUOMA-NSHDSACASA-N 2 0 212.724 2.387 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(F)cc1Cl ZINC000575440290 387127869 /nfs/dbraw/zinc/12/78/69/387127869.db2.gz ZQPHEEYLWVEKOH-SNVBAGLBSA-N 2 0 216.687 2.218 10 0 BEAERP Cc1cccc(Cl)c1[C@@H]([NH3+])CCC[NH3+] ZINC000575438466 387129948 /nfs/dbraw/zinc/12/99/48/387129948.db2.gz JINDQMQOMYLUCL-JTQLQIEISA-N 2 0 212.724 2.387 10 0 BEAERP CC(C)CC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400435600 387285492 /nfs/dbraw/zinc/28/54/92/387285492.db2.gz LEYKTJNKZBHRAD-CHWSQXEVSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)c1cccs1)C1C[NH2+]C1 ZINC000422772459 387670029 /nfs/dbraw/zinc/67/00/29/387670029.db2.gz YRYWCQSPSMBYEQ-BDAKNGLRSA-N 2 0 210.346 2.007 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978135 387789551 /nfs/dbraw/zinc/78/95/51/387789551.db2.gz HAXGQRBKHSTUBN-HZSPNIEDSA-N 2 0 248.370 2.042 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000422986871 387795693 /nfs/dbraw/zinc/79/56/93/387795693.db2.gz DNMLHUYUVHPUKP-HBNTYKKESA-N 2 0 232.318 2.152 10 0 BEAERP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000422986868 387796064 /nfs/dbraw/zinc/79/60/64/387796064.db2.gz DNMLHUYUVHPUKP-AXFHLTTASA-N 2 0 232.318 2.152 10 0 BEAERP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423090747 387882532 /nfs/dbraw/zinc/88/25/32/387882532.db2.gz WAQKPITYUPOCQI-AAEUAGOBSA-N 2 0 210.365 2.297 10 0 BEAERP C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@@H]1CC[NH2+]C1 ZINC000400508113 387985995 /nfs/dbraw/zinc/98/59/95/387985995.db2.gz KQLSCCDGWRNCHE-MGYRSQIZSA-N 2 0 222.376 2.153 10 0 BEAERP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC1(C)C ZINC000423209987 387996212 /nfs/dbraw/zinc/99/62/12/387996212.db2.gz GNMLBPDGIRBVSB-VKYHIEHISA-N 2 0 222.376 2.294 10 0 BEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423274863 388055451 /nfs/dbraw/zinc/05/54/51/388055451.db2.gz MQWAYNSTNBLOMJ-AVGNSLFASA-N 2 0 222.376 2.426 10 0 BEAERP [NH3+]C/C=C1/CCC[N@H+](Cc2ccccc2)C1 ZINC000069049971 388412573 /nfs/dbraw/zinc/41/25/73/388412573.db2.gz IHUXQCNNVONXCF-ZSOIEALJSA-N 2 0 216.328 2.168 10 0 BEAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1C ZINC000575438668 388623914 /nfs/dbraw/zinc/62/39/14/388623914.db2.gz MVNKISPUHZMQHF-LBPRGKRZSA-N 2 0 222.332 2.132 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(F)c1F ZINC000575440228 388631127 /nfs/dbraw/zinc/63/11/27/388631127.db2.gz WCRWAGKKWJVAPF-SNVBAGLBSA-N 2 0 214.259 2.094 10 0 BEAERP CC1(C)CC(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000530220267 388631913 /nfs/dbraw/zinc/63/19/13/388631913.db2.gz TZBWJFCBNDHOCP-XQQFMLRXSA-N 2 0 222.376 2.092 10 0 BEAERP COc1cccc([C@@H](C)N2CCC[C@@H]([NH3+])C2)c1 ZINC000217502029 134249020 /nfs/dbraw/zinc/24/90/20/134249020.db2.gz VNEZORRJPBYODI-DGCLKSJQSA-N 2 0 234.343 2.179 10 0 BEAERP C([C@@H]1CC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000178996705 134314126 /nfs/dbraw/zinc/31/41/26/134314126.db2.gz AOVURXQPVBVZKA-ZDUSSCGKSA-N 2 0 222.376 2.347 10 0 BEAERP CC[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000222740755 134333932 /nfs/dbraw/zinc/33/39/32/134333932.db2.gz CZGPMQCRFGTRGM-XQQFMLRXSA-N 2 0 212.381 2.493 10 0 BEAERP CCCn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000226865295 134370613 /nfs/dbraw/zinc/37/06/13/134370613.db2.gz XTKCTGZYQUFEOM-ZFWWWQNUSA-N 2 0 249.402 2.470 10 0 BEAERP Cc1c[nH+]ccc1N(C)CC[C@H]([NH3+])C(C)C ZINC000227737822 134386218 /nfs/dbraw/zinc/38/62/18/134386218.db2.gz YTVOIQLWYSTORM-LBPRGKRZSA-N 2 0 221.348 2.200 10 0 BEAERP Cc1c[nH+]ccc1N1CCC([NH+]2CCCC2)CC1 ZINC000191979176 134581307 /nfs/dbraw/zinc/58/13/07/134581307.db2.gz QVBTZCMDYFPPNE-UHFFFAOYSA-N 2 0 245.370 2.455 10 0 BEAERP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533068 135163882 /nfs/dbraw/zinc/16/38/82/135163882.db2.gz DMMMVAOWGRTAIL-QWRGUYRKSA-N 2 0 232.318 2.093 10 0 BEAERP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533066 135164303 /nfs/dbraw/zinc/16/43/03/135164303.db2.gz DMMMVAOWGRTAIL-GHMZBOCLSA-N 2 0 232.318 2.093 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261538121 135175161 /nfs/dbraw/zinc/17/51/61/135175161.db2.gz DVEGQXYBGFGWDQ-GRYCIOLGSA-N 2 0 246.345 2.481 10 0 BEAERP Cc1[nH+]ccc(N2CCC(C[NH3+])CC2)c1Cl ZINC000261593457 135233539 /nfs/dbraw/zinc/23/35/39/135233539.db2.gz WXKSJZCKQCTODF-UHFFFAOYSA-N 2 0 239.750 2.219 10 0 BEAERP C[C@H](CC1CC1)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086496361 135492388 /nfs/dbraw/zinc/49/23/88/135492388.db2.gz QICFMCMUYIBLDA-MDZLAQPJSA-N 2 0 210.365 2.295 10 0 BEAERP C[N@H+](CCC[NH3+])C[C@H]1CCCCC1(F)F ZINC000381689384 397800235 /nfs/dbraw/zinc/80/02/35/397800235.db2.gz NHWLWOLIZPDACR-SNVBAGLBSA-N 2 0 220.307 2.093 10 0 BEAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000258906082 322878406 /nfs/dbraw/zinc/87/84/06/322878406.db2.gz MWAOOSCSAMJQAA-ZDUSSCGKSA-N 2 0 218.344 2.003 10 0 BEAERP CSc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000258857394 322878785 /nfs/dbraw/zinc/87/87/85/322878785.db2.gz YEMXYNGRIQFXBV-SNVBAGLBSA-N 2 0 224.373 2.235 10 0 BEAERP COc1cccc([C@H](C)[N@H+](C)CCC[NH3+])c1 ZINC000133210322 410435506 /nfs/dbraw/zinc/43/55/06/410435506.db2.gz IIOMZHSULXGDCF-NSHDSACASA-N 2 0 222.332 2.037 10 0 BEAERP [NH3+]C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000394507952 410618103 /nfs/dbraw/zinc/61/81/03/410618103.db2.gz LVODVGKFEBNFIV-JTQLQIEISA-N 2 0 232.318 2.235 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263934 410736785 /nfs/dbraw/zinc/73/67/85/410736785.db2.gz YIWYEXLKLWTSKD-IGQOVBAYSA-N 2 0 222.376 2.154 10 0 BEAERP CC(C)[NH2+]CC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000104196193 167108505 /nfs/dbraw/zinc/10/85/05/167108505.db2.gz VQTFXKQFFBRDFO-CYBMUJFWSA-N 2 0 242.407 2.121 10 0 BEAERP CC1CC[NH+](C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000058081642 168182989 /nfs/dbraw/zinc/18/29/89/168182989.db2.gz VEBBQEWMYSTPOY-STQMWFEESA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](C[C@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000053860893 168183307 /nfs/dbraw/zinc/18/33/07/168183307.db2.gz JTFYLZMGHNQAOL-MJBXVCDLSA-N 2 0 224.392 2.482 10 0 BEAERP CC1CC[NH+](Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267521 168184730 /nfs/dbraw/zinc/18/47/30/168184730.db2.gz CMNAMKUSCWDIGL-UHFFFAOYSA-N 2 0 249.333 2.342 10 0 BEAERP CC[NH2+]CCCCC[N@@H+]1CCC[C@H](OCC)C1 ZINC000052372273 170111542 /nfs/dbraw/zinc/11/15/42/170111542.db2.gz MNTLKBXNZCOZAE-AWEZNQCLSA-N 2 0 242.407 2.267 10 0 BEAERP CC[NH2+]C[C@@H](C)C[N@H+](CCOC)C(CC)CC ZINC000052573307 170119001 /nfs/dbraw/zinc/11/90/01/170119001.db2.gz FSQPJVGYAHEPMC-CYBMUJFWSA-N 2 0 244.423 2.369 10 0 BEAERP CC[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000033434448 170127754 /nfs/dbraw/zinc/12/77/54/170127754.db2.gz JDFQLZWPTPSUNE-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP CC[NH2+]Cc1ccoc1C[N@H+](C)CC(C)C ZINC000052452560 170129157 /nfs/dbraw/zinc/12/91/57/170129157.db2.gz SYEFDLSQTCUFJA-UHFFFAOYSA-N 2 0 224.348 2.477 10 0 BEAERP CC[NH2+][C@@H](C)Cc1nc2cc(C)ccc2[nH]1 ZINC000061181827 170139878 /nfs/dbraw/zinc/13/98/78/170139878.db2.gz FJBXTGLLLDYXAW-JTQLQIEISA-N 2 0 217.316 2.412 10 0 BEAERP CC[NH2+][C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713707 170152346 /nfs/dbraw/zinc/15/23/46/170152346.db2.gz OVEFFKQXTGBDAM-SMDDNHRTSA-N 2 0 236.403 2.495 10 0 BEAERP CC[NH2+][C@H]1CC[N@H+](CC2CCC2)C[C@@H]1C ZINC000049710561 170166552 /nfs/dbraw/zinc/16/65/52/170166552.db2.gz NCPQFLMNBGKZBZ-AAEUAGOBSA-N 2 0 210.365 2.106 10 0 BEAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000053862422 170166694 /nfs/dbraw/zinc/16/66/94/170166694.db2.gz OSKPUASRNJYNGX-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP CC[C@@H](C[NH2+]C(C)(C)C)OC1CC[NH+](C)CC1 ZINC000052596532 170826601 /nfs/dbraw/zinc/82/66/01/170826601.db2.gz NQWYSRHIDQFTRC-LBPRGKRZSA-N 2 0 242.407 2.264 10 0 BEAERP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]CC1 ZINC000662267223 412058856 /nfs/dbraw/zinc/05/88/56/412058856.db2.gz RHHMSGADCUFWHH-XJFOESAGSA-N 2 0 222.376 2.106 10 0 BEAERP C[N@H+](CC1CC=CC1)[C@H]1CCC[NH2+]CC1 ZINC000662265439 412055375 /nfs/dbraw/zinc/05/53/75/412055375.db2.gz AMEOZQYKEUTOEK-ZDUSSCGKSA-N 2 0 208.349 2.027 10 0 BEAERP CC[C@H](C)C[N@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000037173367 171274174 /nfs/dbraw/zinc/27/41/74/171274174.db2.gz CWVJKWBQYCMXAN-NSHDSACASA-N 2 0 233.359 2.449 10 0 BEAERP CC[C@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019144 171284067 /nfs/dbraw/zinc/28/40/67/171284067.db2.gz VDRSPDRHYZNMNH-FUDCBSFHSA-N 2 0 224.392 2.495 10 0 BEAERP CC[C@H](C)[N@H+](C)[C@@H](CN)c1cccc(OC)c1 ZINC000037109739 171309304 /nfs/dbraw/zinc/30/93/04/171309304.db2.gz MGZZVWBVRPVORP-FZMZJTMJSA-N 2 0 236.359 2.425 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)CCC1CC[NH2+]CC1 ZINC000042584312 171315101 /nfs/dbraw/zinc/31/51/01/171315101.db2.gz AUZZGHYEIFXEEA-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@H](C)[C@H](N)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073522 171396807 /nfs/dbraw/zinc/39/68/07/171396807.db2.gz UUXOUHJJKYPAKH-QNWHQSFQSA-N 2 0 212.381 2.338 10 0 BEAERP [NH3+]C1CCC([NH2+]CCCC2CCC2)CC1 ZINC000665267255 412202159 /nfs/dbraw/zinc/20/21/59/412202159.db2.gz SQYMHSLRLGXHEC-UHFFFAOYSA-N 2 0 210.365 2.426 10 0 BEAERP CCn1cc(C[NH2+]CCC[NH2+]C)c2ccccc21 ZINC000020968445 172169787 /nfs/dbraw/zinc/16/97/87/172169787.db2.gz CGWUUXMZWPJRML-UHFFFAOYSA-N 2 0 245.370 2.360 10 0 BEAERP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336779759 172430879 /nfs/dbraw/zinc/43/08/79/172430879.db2.gz PMSYJKZCPHBUEG-OLZOCXBDSA-N 2 0 230.371 2.446 10 0 BEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC000052205757 173005252 /nfs/dbraw/zinc/00/52/52/173005252.db2.gz WEBZJMYVZQPOHN-KGLIPLIRSA-N 2 0 240.391 2.020 10 0 BEAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(F)F)CC[C@H]21 ZINC000336203762 173035936 /nfs/dbraw/zinc/03/59/36/173035936.db2.gz PGPJLFCSSHKVMW-VXGBXAGGSA-N 2 0 246.345 2.448 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000082380066 173042453 /nfs/dbraw/zinc/04/24/53/173042453.db2.gz XORZBVQTSUNZOY-CHWSQXEVSA-N 2 0 204.317 2.028 10 0 BEAERP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000082328974 173119154 /nfs/dbraw/zinc/11/91/54/173119154.db2.gz NMVIYJIRSMGZDN-DGCLKSJQSA-N 2 0 238.762 2.162 10 0 BEAERP C[NH2+]C(C)(C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061319615 173319445 /nfs/dbraw/zinc/31/94/45/173319445.db2.gz CAPGJTFJYQCBSH-QWHCGFSZSA-N 2 0 224.392 2.497 10 0 BEAERP C[NH2+]C1CC[NH+](C2(C)CCCCC2)CC1 ZINC000045045998 173323162 /nfs/dbraw/zinc/32/31/62/173323162.db2.gz WTYWTNKJVYYJPT-UHFFFAOYSA-N 2 0 210.365 2.393 10 0 BEAERP C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000037241337 173324538 /nfs/dbraw/zinc/32/45/38/173324538.db2.gz FZYKWFWJGQDVNN-GFCCVEGCSA-N 2 0 218.344 2.431 10 0 BEAERP C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000037241964 173324586 /nfs/dbraw/zinc/32/45/86/173324586.db2.gz WDJGHEOGTJJGHC-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC1(C[N@@H+]2CCCSCC2)CCCC1 ZINC000051284162 173337711 /nfs/dbraw/zinc/33/77/11/173337711.db2.gz SWRIXOGYWCMLMK-UHFFFAOYSA-N 2 0 242.432 2.205 10 0 BEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000053035116 173381351 /nfs/dbraw/zinc/38/13/51/173381351.db2.gz KVPVMEZNRZCBIM-TZMCWYRMSA-N 2 0 246.354 2.052 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]2C)oc1C ZINC000052375709 173386572 /nfs/dbraw/zinc/38/65/72/173386572.db2.gz MIYFJIDKYNITLS-SNVBAGLBSA-N 2 0 222.332 2.292 10 0 BEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000052484487 173389010 /nfs/dbraw/zinc/38/90/10/173389010.db2.gz WEMZMYDDCAQJEG-ZDUSSCGKSA-N 2 0 248.370 2.127 10 0 BEAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CC[C@H](C)C1 ZINC000052484459 173390698 /nfs/dbraw/zinc/39/06/98/173390698.db2.gz AVQGNRXDPFEQLB-ZDUSSCGKSA-N 2 0 248.370 2.127 10 0 BEAERP C[NH2+]Cc1occc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378739 173399948 /nfs/dbraw/zinc/39/99/48/173399948.db2.gz SCNQBOZTBSIJKU-NSHDSACASA-N 2 0 222.332 2.373 10 0 BEAERP COCCC[N@@H+]1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053657333 174231611 /nfs/dbraw/zinc/23/16/11/174231611.db2.gz ATOJALFYAJEZOO-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+]([C@@H](C)CC[NH2+]C(C)(C)C)C1CC1 ZINC000052542569 174284489 /nfs/dbraw/zinc/28/44/89/174284489.db2.gz ACJBQMYCWODLDX-LBPRGKRZSA-N 2 0 242.407 2.264 10 0 BEAERP COCC[N@H+](CC(C)C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042368743 174287802 /nfs/dbraw/zinc/28/78/02/174287802.db2.gz IHASKAHCLWZDAA-KBPBESRZSA-N 2 0 242.407 2.251 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000131456165 175292451 /nfs/dbraw/zinc/29/24/51/175292451.db2.gz MHULZIDFKNLKME-AGIUHOORSA-N 2 0 248.370 2.425 10 0 BEAERP COc1ccccc1C[N@H+](C)[C@H](C)CCC[NH3+] ZINC000052542274 175326406 /nfs/dbraw/zinc/32/64/06/175326406.db2.gz QOCKSKHHRDOPCU-GFCCVEGCSA-N 2 0 236.359 2.254 10 0 BEAERP COc1ccccc1[C@H](CCC[NH3+])[NH+](C)C ZINC000019673905 175352982 /nfs/dbraw/zinc/35/29/82/175352982.db2.gz QFGODFRTBNWTRY-LBPRGKRZSA-N 2 0 222.332 2.037 10 0 BEAERP C[C@@H](c1ccco1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511675 176032655 /nfs/dbraw/zinc/03/26/55/176032655.db2.gz DUOVFPUXKXCHPJ-JTQLQIEISA-N 2 0 208.305 2.011 10 0 BEAERP C[C@@H](c1cccs1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527592 176034352 /nfs/dbraw/zinc/03/43/52/176034352.db2.gz MIHDNGGEPCMZHF-WDEREUQCSA-N 2 0 224.373 2.480 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052378726 176072843 /nfs/dbraw/zinc/07/28/43/176072843.db2.gz DWMHOKLAUNIGJR-SNVBAGLBSA-N 2 0 208.305 2.113 10 0 BEAERP C[C@@H]1CCCC[C@H]1C[NH+]1CCC[NH2+]CCC1 ZINC000042867342 176084448 /nfs/dbraw/zinc/08/44/48/176084448.db2.gz CFOVPAXGHVIEDF-KGLIPLIRSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]1CCCC[C@H]1[N@H+](C)C1(CN)CCOCC1 ZINC000042606719 176085529 /nfs/dbraw/zinc/08/55/29/176085529.db2.gz NWYUYCAJYRMMJT-CHWSQXEVSA-N 2 0 240.391 2.005 10 0 BEAERP C[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731288 176099904 /nfs/dbraw/zinc/09/99/04/176099904.db2.gz BKHQVEDNCZWDCA-UKRRQHHQSA-N 2 0 232.371 2.461 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000037910043 176107958 /nfs/dbraw/zinc/10/79/58/176107958.db2.gz KFZSYVRGFMGCJC-LLVKDONJSA-N 2 0 204.317 2.130 10 0 BEAERP C[C@@H]1CCC[N@@H+]1CCOc1ccc(CC[NH3+])cc1 ZINC000037910099 176108740 /nfs/dbraw/zinc/10/87/40/176108740.db2.gz OVEZQRHSBZZLIE-CYBMUJFWSA-N 2 0 248.370 2.051 10 0 BEAERP C[C@@H]1CC[NH+](CC2CCC2)CC[C@@H](C)[NH2+]1 ZINC000049665867 176168631 /nfs/dbraw/zinc/16/86/31/176168631.db2.gz MGQQGJCJNJAYPL-VXGBXAGGSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2ccccn2)C1 ZINC000036777410 176208545 /nfs/dbraw/zinc/20/85/45/176208545.db2.gz AHZPUMWMZYAHIR-MRVWCRGKSA-N 2 0 233.359 2.029 10 0 BEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2cccnc2)C1 ZINC000036771149 176208710 /nfs/dbraw/zinc/20/87/10/176208710.db2.gz CKBBWFSSXCPBRV-MRVWCRGKSA-N 2 0 233.359 2.029 10 0 BEAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](C)N1Cc1ccccc1 ZINC000169616763 176209221 /nfs/dbraw/zinc/20/92/21/176209221.db2.gz ULXWOSFIBHNQLH-YRGRVCCFSA-N 2 0 218.344 2.387 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2occc2C[NH3+])C1 ZINC000052420648 176361791 /nfs/dbraw/zinc/36/17/91/176361791.db2.gz YPJLCHKVUMRXSG-GHMZBOCLSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081419 176362366 /nfs/dbraw/zinc/36/23/66/176362366.db2.gz BPBXBTIVPVRTCY-MQYQWHSLSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@H](c1ccco1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527636 177049482 /nfs/dbraw/zinc/04/94/82/177049482.db2.gz QIXMJKHXVYDBKK-GHMZBOCLSA-N 2 0 208.305 2.011 10 0 BEAERP C[C@H](c1ccsc1)[NH+]1CCC(C[NH3+])CC1 ZINC000050345202 177051667 /nfs/dbraw/zinc/05/16/67/177051667.db2.gz QJGFAFSQTGWGLL-SNVBAGLBSA-N 2 0 224.373 2.480 10 0 BEAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC(C[NH3+])CC1 ZINC000044511939 177081698 /nfs/dbraw/zinc/08/16/98/177081698.db2.gz ISXLQVINGCMJML-AAEUAGOBSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000053861892 177099732 /nfs/dbraw/zinc/09/97/32/177099732.db2.gz XJBGICIFSPYZCA-RFGFWPKPSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@H]1CCC[N@@H+]1CCOc1cccc(C[NH3+])c1 ZINC000038000062 177109529 /nfs/dbraw/zinc/10/95/29/177109529.db2.gz SMLNHNFZEYHQJL-LBPRGKRZSA-N 2 0 234.343 2.008 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C2CCCC2)C1 ZINC000049664901 177157102 /nfs/dbraw/zinc/15/71/02/177157102.db2.gz MCLAAKBEXZEIDJ-NEPJUHHUSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@H]1CC[N@H+](CC2CCCC2)CCC[NH2+]1 ZINC000049666003 177159011 /nfs/dbraw/zinc/15/90/11/177159011.db2.gz QVCYXJWECYHROR-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1CC[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000111763018 177161298 /nfs/dbraw/zinc/16/12/98/177161298.db2.gz RVRWYYPNTDCZFL-ZDUSSCGKSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCc2ccco2)C1 ZINC000049667382 177161930 /nfs/dbraw/zinc/16/19/30/177161930.db2.gz FCJGCSKQEFAFQN-OLZOCXBDSA-N 2 0 236.359 2.142 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000042427468 177189221 /nfs/dbraw/zinc/18/92/21/177189221.db2.gz DPFOMVJJLYPKFN-QWRGUYRKSA-N 2 0 224.373 2.307 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCC(C)(C)C ZINC000042427492 177200610 /nfs/dbraw/zinc/20/06/10/177200610.db2.gz UQKOUERYGKPTGQ-NWDGAFQWSA-N 2 0 212.381 2.482 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH3+])CCC2)C1 ZINC000058082580 177313686 /nfs/dbraw/zinc/31/36/86/177313686.db2.gz SNQOPQGTOHNXKQ-TXEJJXNPSA-N 2 0 210.365 2.093 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C(N)=[NH2+])C1 ZINC000019513399 177315266 /nfs/dbraw/zinc/31/52/66/177315266.db2.gz ULFKHFVUPISGIZ-TXEJJXNPSA-N 2 0 245.370 2.449 10 0 BEAERP C[C@H]([NH2+]CC1C(C)(C)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400359351 225066707 /nfs/dbraw/zinc/06/67/07/225066707.db2.gz CNJJYURANQCKIW-WDEREUQCSA-N 2 0 224.392 2.256 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400394597 225152997 /nfs/dbraw/zinc/15/29/97/225152997.db2.gz JDBAEGVKUMGXDG-OUAUKWLOSA-N 2 0 224.373 2.397 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000400394601 226342677 /nfs/dbraw/zinc/34/26/77/226342677.db2.gz JDBAEGVKUMGXDG-VWYCJHECSA-N 2 0 224.373 2.397 10 0 BEAERP Cc1cscc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400452204 226344159 /nfs/dbraw/zinc/34/41/59/226344159.db2.gz RHOCHTZDYLEDMT-GHMZBOCLSA-N 2 0 224.373 2.144 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400515299 226345630 /nfs/dbraw/zinc/34/56/30/226345630.db2.gz MVOZEQRCPVNPAD-YIYPIFLZSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400558258 226346470 /nfs/dbraw/zinc/34/64/70/226346470.db2.gz ZTMAYHDDNXOIFH-POQQGIQPSA-N 2 0 224.392 2.399 10 0 BEAERP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400701707 226349776 /nfs/dbraw/zinc/34/97/76/226349776.db2.gz KEDLEBVNBWYSLE-ZYHUDNBSSA-N 2 0 238.762 2.428 10 0 BEAERP Clc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398380388 262760704 /nfs/dbraw/zinc/76/07/04/262760704.db2.gz UFDCVEOWZTTXKI-LLVKDONJSA-N 2 0 224.735 2.039 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400534677 229150869 /nfs/dbraw/zinc/15/08/69/229150869.db2.gz SRBGQRMVXPZWER-RQJABVFESA-N 2 0 224.392 2.400 10 0 BEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000222948066 487748220 /nfs/dbraw/zinc/74/82/20/487748220.db2.gz HYEJTFRUWMFXJY-YRGRVCCFSA-N 2 0 246.354 2.370 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164376188 487827264 /nfs/dbraw/zinc/82/72/64/487827264.db2.gz UEHYAJPLXYWUHC-RVMXOQNASA-N 2 0 210.365 2.090 10 0 BEAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000572111825 323540196 /nfs/dbraw/zinc/54/01/96/323540196.db2.gz XGCCJOKHMJYTTB-NWDGAFQWSA-N 2 0 210.365 2.154 10 0 BEAERP CC(C)(CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000406020590 487495560 /nfs/dbraw/zinc/49/55/60/487495560.db2.gz DKRSTCGEYFGTAR-YUTCNCBUSA-N 2 0 236.403 2.482 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000094086121 487512459 /nfs/dbraw/zinc/51/24/59/487512459.db2.gz SMWVHRJXPFINKL-HSBZDZAISA-N 2 0 230.355 2.186 10 0 BEAERP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]CC1 ZINC000403137057 488114878 /nfs/dbraw/zinc/11/48/78/488114878.db2.gz CBBUDLBWOURMTJ-KBXIAJHMSA-N 2 0 236.403 2.497 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000242539019 520023431 /nfs/dbraw/zinc/02/34/31/520023431.db2.gz JLZDNMLZVHZDLZ-CHWSQXEVSA-N 2 0 212.381 2.352 10 0 BEAERP CCOCCCN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757125355 582500057 /nfs/dbraw/zinc/50/00/57/582500057.db2.gz DJJZTJPTLJMUDT-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP CC[C@@H]1CC[NH2+]C2(CC[NH+](CC(C)C)CC2)O1 ZINC000757138934 582518335 /nfs/dbraw/zinc/51/83/35/582518335.db2.gz DWKNFBGVOFRFOG-CYBMUJFWSA-N 2 0 240.391 2.223 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400391879 533881080 /nfs/dbraw/zinc/88/10/80/533881080.db2.gz NMOSNFXIAQIZTQ-SRVKXCTJSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400473315 533918774 /nfs/dbraw/zinc/91/87/74/533918774.db2.gz YVKBGCLNWFLNOH-DTWKUNHWSA-N 2 0 244.791 2.489 10 0 BEAERP CC(C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000242495598 519730884 /nfs/dbraw/zinc/73/08/84/519730884.db2.gz GKTCJDLUNONRIG-ZIAGYGMSSA-N 2 0 224.392 2.449 10 0 BEAERP C[C@@H]1[C@H]([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854465 525699647 /nfs/dbraw/zinc/69/96/47/525699647.db2.gz NWKPWPVTPIKZQR-SGMGOOAPSA-N 2 0 218.344 2.244 10 0 BEAERP CCCC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400457922 528061925 /nfs/dbraw/zinc/06/19/25/528061925.db2.gz QNLOPWCEMBCMRA-RYUDHWBXSA-N 2 0 210.365 2.154 10 0 BEAERP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400317831 528656505 /nfs/dbraw/zinc/65/65/05/528656505.db2.gz ADWZYTYVYVIVDH-OCCSQVGLSA-N 2 0 248.370 2.173 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH+](CC)CC)[C@@H](C)C1 ZINC000226858340 534949933 /nfs/dbraw/zinc/94/99/33/534949933.db2.gz XFKDNNXXXRQXHS-QWHCGFSZSA-N 2 0 212.381 2.449 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](C)C1 ZINC000226858159 534958784 /nfs/dbraw/zinc/95/87/84/534958784.db2.gz LSFDYFLOEXRDQN-STQMWFEESA-N 2 0 210.365 2.203 10 0 BEAERP C[C@@H]1CC[C@H](C)[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951927 566486743 /nfs/dbraw/zinc/48/67/43/566486743.db2.gz ZHSYTKMHYMPGNI-VOAKCMCISA-N 2 0 224.392 2.351 10 0 BEAERP C[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951926 566486892 /nfs/dbraw/zinc/48/68/92/566486892.db2.gz ZHSYTKMHYMPGNI-RGDJUOJXSA-N 2 0 224.392 2.351 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757124322 582499637 /nfs/dbraw/zinc/49/96/37/582499637.db2.gz CFOLKHFBJXSDBV-STQMWFEESA-N 2 0 210.365 2.249 10 0 BEAERP C(C[N@@H+]1CCC[C@@]12CCC[NH2+]C2)C1CCC1 ZINC000757128227 582502971 /nfs/dbraw/zinc/50/29/71/582502971.db2.gz JOBIFEYFMRYXCI-CQSZACIVSA-N 2 0 222.376 2.395 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757131237 582505766 /nfs/dbraw/zinc/50/57/66/582505766.db2.gz PXKVBVDERKLGGI-OBJOEFQTSA-N 2 0 222.376 2.249 10 0 BEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138392 582517941 /nfs/dbraw/zinc/51/79/41/582517941.db2.gz CAILFRSKEOGFNT-CQSZACIVSA-N 2 0 240.391 2.223 10 0 BEAERP CCC1(CC)CC[NH2+][C@]2(CCC[N@H+](C)CC2)O1 ZINC000757139789 582520461 /nfs/dbraw/zinc/52/04/61/582520461.db2.gz HLBZKTVQQGJEBU-CQSZACIVSA-N 2 0 240.391 2.367 10 0 BEAERP CCC1(CC)CC[NH2+][C@@]2(CCC[N@H+](C)CC2)O1 ZINC000757139786 582520490 /nfs/dbraw/zinc/52/04/90/582520490.db2.gz HLBZKTVQQGJEBU-AWEZNQCLSA-N 2 0 240.391 2.367 10 0 BEAERP CC1(c2ccc([C@H]3C[NH2+]C[C@H](C[NH3+])C3)cc2)CC1 ZINC000757218586 582562101 /nfs/dbraw/zinc/56/21/01/582562101.db2.gz VASWUXZNPHQZIH-GXTWGEPZSA-N 2 0 244.382 2.390 10 0 BEAERP C[C@@H]1CC[C@H](c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000757220307 582562895 /nfs/dbraw/zinc/56/28/95/582562895.db2.gz YKYRMXSEQWHUIR-MFKMUULPSA-N 2 0 204.317 2.001 10 0 BEAERP Cc1ccc(C)c([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000211432128 583441591 /nfs/dbraw/zinc/44/15/91/583441591.db2.gz ITKFKCMRZDXVOC-OCCSQVGLSA-N 2 0 218.344 2.397 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757133725 586427053 /nfs/dbraw/zinc/42/70/53/586427053.db2.gz UAOGOGXWNSLEPY-STQMWFEESA-N 2 0 210.365 2.106 10 0 BEAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757143998 586428513 /nfs/dbraw/zinc/42/85/13/586428513.db2.gz ZJYUTENRRSARQF-GFCCVEGCSA-N 2 0 240.391 2.223 10 0 BEAERP [NH3+]Cc1cccc(-c2cccc3c2C[NH2+]CC3)c1 ZINC000757213687 586439876 /nfs/dbraw/zinc/43/98/76/586439876.db2.gz LNHQHGCUYJFSHU-UHFFFAOYSA-N 2 0 238.334 2.458 10 0 BEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccs2)[NH2+]1 ZINC000757217122 586441280 /nfs/dbraw/zinc/44/12/80/586441280.db2.gz RFQVOEIUGANPQQ-MIZYBKAJSA-N 2 0 224.373 2.382 10 0 BEAERP C[C@H]1CCC[NH2+][C@H]1c1cccc(C[NH3+])c1 ZINC000757217743 586441747 /nfs/dbraw/zinc/44/17/47/586441747.db2.gz SDYNUDAYVFKHHV-GXFFZTMASA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1C[C@@H](c2cccc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000757220713 586442360 /nfs/dbraw/zinc/44/23/60/586442360.db2.gz ZHVFQKQQSUKLIX-GNXNZQSNSA-N 2 0 218.344 2.389 10 0 BEAERP C[C@@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757220872 586442913 /nfs/dbraw/zinc/44/29/13/586442913.db2.gz ZTGDPDUYTUYCTF-ZWNOBZJWSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H](C[NH2+]CCc1ccccc1)C[NH+](C)C ZINC000309727253 632661146 /nfs/dbraw/zinc/66/11/46/632661146.db2.gz DKDFMODONAWRQF-ZDUSSCGKSA-N 2 0 220.360 2.016 10 0 BEAERP CCC(CC)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000129185103 638704813 /nfs/dbraw/zinc/70/48/13/638704813.db2.gz ROVTWRBUJWSQQL-YPMHNXCESA-N 2 0 212.381 2.339 10 0 BEAERP CC(C)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000319400482 641604314 /nfs/dbraw/zinc/60/43/14/641604314.db2.gz MBPWGJACSGWZFW-GFCCVEGCSA-N 2 0 210.365 2.106 10 0 BEAERP C[NH+]1CCC(C[NH2+][C@@H]2COc3ccccc32)CC1 ZINC000070528488 643034730 /nfs/dbraw/zinc/03/47/30/643034730.db2.gz ORQCZLDUHWRRMQ-CQSZACIVSA-N 2 0 246.354 2.052 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000044677453 643547823 /nfs/dbraw/zinc/54/78/23/643547823.db2.gz YIRKCKKSGODIAD-REBRKWNGSA-N 2 0 230.355 2.212 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000685951910 644518556 /nfs/dbraw/zinc/51/85/56/644518556.db2.gz ZAVXHTSGWWHUDN-KCLGILNXSA-N 2 0 224.392 2.493 10 0 BEAERP CCCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000134208759 711491519 /nfs/dbraw/zinc/49/15/19/711491519.db2.gz LXBYDYCJZDIIMM-OLZOCXBDSA-N 2 0 212.381 2.483 10 0 BEAERP Cc1cnc(C[NH2+][C@@H](C)CCCC[NH3+])c(C)c1 ZINC000724040629 711557421 /nfs/dbraw/zinc/55/74/21/711557421.db2.gz DCHHVHFTYSTZLM-ZDUSSCGKSA-N 2 0 235.375 2.306 10 0 BEAERP CC(F)(F)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000718574251 711661279 /nfs/dbraw/zinc/66/12/79/711661279.db2.gz YYWKZCDTFGPJFE-HBNTYKKESA-N 2 0 232.318 2.091 10 0 BEAERP C[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000700454314 711995073 /nfs/dbraw/zinc/99/50/73/711995073.db2.gz IXSHDOMEIHBGTQ-YVECIDJPSA-N 2 0 210.365 2.105 10 0 BEAERP CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000701984824 712034410 /nfs/dbraw/zinc/03/44/10/712034410.db2.gz KGFBHQGEMGDADL-WCQYABFASA-N 2 0 210.365 2.154 10 0 BEAERP C[N@H+](CCCCCC[NH3+])Cc1cccnc1 ZINC000036771398 712494540 /nfs/dbraw/zinc/49/45/40/712494540.db2.gz RKCZNJZTQUFOAQ-UHFFFAOYSA-N 2 0 221.348 2.033 10 0 BEAERP CN(Cc1cccnc1)C1(C[NH3+])CCCCC1 ZINC000036770997 712494967 /nfs/dbraw/zinc/49/49/67/712494967.db2.gz ZHHWVXZXMNUKJC-UHFFFAOYSA-N 2 0 233.359 2.175 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC000714753331 712497363 /nfs/dbraw/zinc/49/73/63/712497363.db2.gz KDWXXBGMQTYUOP-NWDGAFQWSA-N 2 0 210.365 2.378 10 0 BEAERP CCC1([NH3+])CC[NH+](C(C2CC2)C2CC2)CC1 ZINC000714754916 712497535 /nfs/dbraw/zinc/49/75/35/712497535.db2.gz ZMVIHHJOULNDAN-UHFFFAOYSA-N 2 0 222.376 2.378 10 0 BEAERP CC[C@@H]([C@H]1CCOC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754534 712497996 /nfs/dbraw/zinc/49/79/96/712497996.db2.gz VWCFNDRUHWBHRL-STQMWFEESA-N 2 0 240.391 2.005 10 0 BEAERP C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000716551966 712563306 /nfs/dbraw/zinc/56/33/06/712563306.db2.gz NTGUKYXNEUJHQF-ULXLPNHUSA-N 2 0 236.403 2.256 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000717053944 712625796 /nfs/dbraw/zinc/62/57/96/712625796.db2.gz VYNYZMYVESWFRF-VQJWOFKYSA-N 2 0 236.403 2.400 10 0 BEAERP Fc1ccc(CC[NH2+]CCCn2ccnc2)cc1 ZINC000049327605 1171690561 /nfs/dbraw/zinc/69/05/61/1171690561.db2.gz GVLIVVSEOYQRCC-UHFFFAOYSA-N 2 0 247.317 2.245 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685952583 538896478 /nfs/dbraw/zinc/89/64/78/538896478.db2.gz AOOYVXKQBRWLNU-JTQLQIEISA-N 2 0 232.318 2.378 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685953100 538897377 /nfs/dbraw/zinc/89/73/77/538897377.db2.gz GBUWERBLNYSNPA-QNWHQSFQSA-N 2 0 210.365 2.234 10 0 BEAERP CCC(CC)(C[NH3+])C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051252586 168323170 /nfs/dbraw/zinc/32/31/70/168323170.db2.gz YVXBRSFJVLJHPL-QWHCGFSZSA-N 2 0 240.391 2.005 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000378712574 346812429 /nfs/dbraw/zinc/81/24/29/346812429.db2.gz VDUPWUSEVQNAQH-AAVRWANBSA-N 2 0 224.392 2.495 10 0 BEAERP Cc1cc(N(C)CCC[NH3+])c2ccccc2[nH+]1 ZINC000035697563 178099031 /nfs/dbraw/zinc/09/90/31/178099031.db2.gz CXCOLIMJQYPIBI-UHFFFAOYSA-N 2 0 229.327 2.328 10 0 BEAERP Cc1cc([C@@H](CC[NH3+])C[NH+](C)C)c(C)n1C1CC1 ZINC000076653812 178234994 /nfs/dbraw/zinc/23/49/94/178234994.db2.gz AITHRVOBXAPDSX-ZDUSSCGKSA-N 2 0 249.402 2.434 10 0 BEAERP Cc1cc2[nH+]c(N)n(CCC[NH+](C)C)c2cc1C ZINC000075415136 178301607 /nfs/dbraw/zinc/30/16/07/178301607.db2.gz IVIDCAXSMQBVPO-UHFFFAOYSA-N 2 0 246.358 2.187 10 0 BEAERP CCC(CC)[N@H+](CCO)CCC[NH2+]C(C)(C)C ZINC000042513784 168374432 /nfs/dbraw/zinc/37/44/32/168374432.db2.gz QHNJTIHNURCOHX-UHFFFAOYSA-N 2 0 244.423 2.248 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381623635 398267156 /nfs/dbraw/zinc/26/71/56/398267156.db2.gz SUDJKLNVDHTOSJ-IJLUTSLNSA-N 2 0 246.345 2.481 10 0 BEAERP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690694 398269545 /nfs/dbraw/zinc/26/95/45/398269545.db2.gz NKWPOQMYGBDPDQ-NWDGAFQWSA-N 2 0 246.345 2.483 10 0 BEAERP C[NH2+]CCC[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000381752828 398271160 /nfs/dbraw/zinc/27/11/60/398271160.db2.gz WCZCIUIDEFHICB-LLVKDONJSA-N 2 0 234.334 2.353 10 0 BEAERP CC(C)[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037222068 538962059 /nfs/dbraw/zinc/96/20/59/538962059.db2.gz LSHAJSYQJJEIGZ-NWDGAFQWSA-N 2 0 212.381 2.351 10 0 BEAERP CC[C@@H](C)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC000146718222 342771262 /nfs/dbraw/zinc/77/12/62/342771262.db2.gz KMYDFNDFCUPNSQ-GFCCVEGCSA-N 2 0 240.391 2.018 10 0 BEAERP CC(C)[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC000147141552 342774212 /nfs/dbraw/zinc/77/42/12/342774212.db2.gz AOYNPLYXXQWNLX-UHFFFAOYSA-N 2 0 210.365 2.106 10 0 BEAERP CCN1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000390433700 539021583 /nfs/dbraw/zinc/02/15/83/539021583.db2.gz QXOGSGYFGZDBJM-IHRRRGAJSA-N 2 0 224.392 2.495 10 0 BEAERP CCCOc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000233250872 342900825 /nfs/dbraw/zinc/90/08/25/342900825.db2.gz QYZKQCOUQOGJSP-DOMZBBRYSA-N 2 0 248.370 2.254 10 0 BEAERP CCCOc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000233250881 342900838 /nfs/dbraw/zinc/90/08/38/342900838.db2.gz QYZKQCOUQOGJSP-WFASDCNBSA-N 2 0 248.370 2.254 10 0 BEAERP C/C(=C/Cl)C[N@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 ZINC000308471707 346875516 /nfs/dbraw/zinc/87/55/16/346875516.db2.gz IZPRHUSWZDKHAP-XXLCQIKASA-N 2 0 216.756 2.046 10 0 BEAERP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916080 398335270 /nfs/dbraw/zinc/33/52/70/398335270.db2.gz YXOKMQJJFIBUQN-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211934052 343017232 /nfs/dbraw/zinc/01/72/32/343017232.db2.gz SABYSSJBJRPWRZ-UHFFFAOYSA-N 2 0 230.355 2.317 10 0 BEAERP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400353887 529683563 /nfs/dbraw/zinc/68/35/63/529683563.db2.gz LLFIVJPLOPJULY-CYDGBPFRSA-N 2 0 212.381 2.399 10 0 BEAERP CCC[C@H](C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000051321025 343255653 /nfs/dbraw/zinc/25/56/53/343255653.db2.gz WSRRIGVXPOEXAZ-LBPRGKRZSA-N 2 0 212.381 2.483 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(C)CC1 ZINC000130219178 136372600 /nfs/dbraw/zinc/37/26/00/136372600.db2.gz XFXDIWCKFYAMSY-RWMBFGLXSA-N 2 0 222.376 2.391 10 0 BEAERP [NH3+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000043642007 343479614 /nfs/dbraw/zinc/47/96/14/343479614.db2.gz IFQRFSKEHYUZAT-ILXRZTDVSA-N 2 0 230.355 2.246 10 0 BEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657778 343503916 /nfs/dbraw/zinc/50/39/16/343503916.db2.gz WHVICIVLOGPDPJ-RQJABVFESA-N 2 0 224.392 2.351 10 0 BEAERP Cc1ccc(C[NH2+]C[C@H](C)CC[NH3+])cc1 ZINC000049813548 178612822 /nfs/dbraw/zinc/61/28/22/178612822.db2.gz CJUORAAATZDEJY-GFCCVEGCSA-N 2 0 206.333 2.070 10 0 BEAERP CCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000042447412 344454165 /nfs/dbraw/zinc/45/41/65/344454165.db2.gz BRVMUSRKKBUJKJ-ZDUSSCGKSA-N 2 0 212.381 2.482 10 0 BEAERP CC[NH+]1CCC(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000107450266 344483133 /nfs/dbraw/zinc/48/31/33/344483133.db2.gz HLLCGDDXVNRIEW-ZDUSSCGKSA-N 2 0 210.365 2.108 10 0 BEAERP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000235383325 344899152 /nfs/dbraw/zinc/89/91/52/344899152.db2.gz XTHDXODMLQSPJO-TZMCWYRMSA-N 2 0 218.344 2.164 10 0 BEAERP C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000634998823 345199709 /nfs/dbraw/zinc/19/97/09/345199709.db2.gz LNMBPUFFIDWKEM-FKZOYECMSA-N 2 0 224.392 2.339 10 0 BEAERP C[C@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000634999736 345200753 /nfs/dbraw/zinc/20/07/53/345200753.db2.gz YKJLQUOWKUPZSJ-ZOBORPQBSA-N 2 0 224.392 2.339 10 0 BEAERP Cc1cccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000062911515 179066746 /nfs/dbraw/zinc/06/67/46/179066746.db2.gz LSKQNTSSSHNNEI-OAHLLOKOSA-N 2 0 232.371 2.426 10 0 BEAERP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577161774 365848160 /nfs/dbraw/zinc/84/81/60/365848160.db2.gz RAPDVESTPNJPBE-OPRDCNLKSA-N 2 0 238.297 2.305 10 0 BEAERP COc1ccc([C@H]([NH2+]CCC[NH3+])C2CC2)cc1 ZINC000037713780 187392806 /nfs/dbraw/zinc/39/28/06/187392806.db2.gz OJXCVURPTSUALQ-CQSZACIVSA-N 2 0 234.343 2.085 10 0 BEAERP Cc1[nH+]ccc(NC[C@@H](C)C[NH3+])c1Cl ZINC000307633614 180200820 /nfs/dbraw/zinc/20/08/20/180200820.db2.gz RNTSIGLIRYOQEJ-ZETCQYMHSA-N 2 0 213.712 2.050 10 0 BEAERP Cc1ncsc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235345965 180317094 /nfs/dbraw/zinc/31/70/94/180317094.db2.gz SFDYCMUUPNBXLS-MWLCHTKSSA-N 2 0 239.388 2.011 10 0 BEAERP CC[N@@H+]1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616610437 350805642 /nfs/dbraw/zinc/80/56/42/350805642.db2.gz JMZFBTSVNDTBAV-LLVKDONJSA-N 2 0 219.332 2.084 10 0 BEAERP CC(C)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336683440 191125530 /nfs/dbraw/zinc/12/55/30/191125530.db2.gz IVPOSSPCLJGCPM-VXGBXAGGSA-N 2 0 200.370 2.208 10 0 BEAERP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000052417415 350991982 /nfs/dbraw/zinc/99/19/82/350991982.db2.gz GQZPCLANUFQCDT-CYBMUJFWSA-N 2 0 220.360 2.364 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000306773735 351014945 /nfs/dbraw/zinc/01/49/45/351014945.db2.gz IYIGGQWFACQAML-SECBINFHSA-N 2 0 219.115 2.342 10 0 BEAERP C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824525 351132399 /nfs/dbraw/zinc/13/23/99/351132399.db2.gz USAALUUCCKLXMC-CABCVRRESA-N 2 0 230.355 2.070 10 0 BEAERP CC[C@H](C[NH3+])Nc1cc[nH+]c(C)c1Cl ZINC000307043561 351444593 /nfs/dbraw/zinc/44/45/93/351444593.db2.gz NADVLOOHALAGQM-MRVPVSSYSA-N 2 0 213.712 2.193 10 0 BEAERP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000572111826 323540132 /nfs/dbraw/zinc/54/01/32/323540132.db2.gz XGCCJOKHMJYTTB-RYUDHWBXSA-N 2 0 210.365 2.154 10 0 BEAERP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]c(C)c1 ZINC000274936474 351588384 /nfs/dbraw/zinc/58/83/84/351588384.db2.gz SBOKXBMRPXWNCJ-AWEZNQCLSA-N 2 0 233.359 2.311 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000307207712 351608241 /nfs/dbraw/zinc/60/82/41/351608241.db2.gz JRKGZEBICVBMCT-QMMMGPOBSA-N 2 0 219.115 2.342 10 0 BEAERP CCC[N@H+](CC)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270169 538102263 /nfs/dbraw/zinc/10/22/63/538102263.db2.gz HXPVUIKRDBKCSP-OTTFEQOBSA-N 2 0 210.365 2.378 10 0 BEAERP CC[N@H+](C(C)C)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725271049 538103214 /nfs/dbraw/zinc/10/32/14/538103214.db2.gz VPKOAMZXOBVURW-OTTFEQOBSA-N 2 0 210.365 2.377 10 0 BEAERP [NH3+][C@H]1CC12CCC([NH+]1CCCCC1)CC2 ZINC000725270927 538103094 /nfs/dbraw/zinc/10/30/94/538103094.db2.gz UOWJLOMPFAGQQE-CPCZMJQVSA-N 2 0 208.349 2.132 10 0 BEAERP CC[C@H](C)C[NH2+][C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272150 538103785 /nfs/dbraw/zinc/10/37/85/538103785.db2.gz MZGLISZHZVHNPD-YNEHKIRRSA-N 2 0 210.365 2.297 10 0 BEAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000307384499 352511481 /nfs/dbraw/zinc/51/14/81/352511481.db2.gz ITVSTUGUEOABOT-OCCSQVGLSA-N 2 0 218.344 2.116 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)C[NH3+] ZINC000307406152 352581248 /nfs/dbraw/zinc/58/12/48/352581248.db2.gz DCDLJOKASDKHAU-OCCSQVGLSA-N 2 0 218.344 2.103 10 0 BEAERP C(C[NH2+]C[C@H]1CCCCO1)C[C@H]1CCCC[NH2+]1 ZINC000050953887 187781271 /nfs/dbraw/zinc/78/12/71/187781271.db2.gz WBMWLQXIBCZQRL-ZIAGYGMSSA-N 2 0 240.391 2.067 10 0 BEAERP C1=C(C[NH2+][C@H]2CCC[NH2+]CC2)CCCC1 ZINC000336235636 188083476 /nfs/dbraw/zinc/08/34/76/188083476.db2.gz CFRLVVGIIWVNKL-ZDUSSCGKSA-N 2 0 208.349 2.219 10 0 BEAERP C[C@H]1C[NH2+][C@H](c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000003705117 188101593 /nfs/dbraw/zinc/10/15/93/188101593.db2.gz NUAMEKJUQIMRNT-DOMZBBRYSA-N 2 0 248.370 2.298 10 0 BEAERP CC(C)([NH2+]Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000038587384 188117058 /nfs/dbraw/zinc/11/70/58/188117058.db2.gz LPDLTLBVGLFEMJ-CYBMUJFWSA-N 2 0 218.344 2.164 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405531350 353795772 /nfs/dbraw/zinc/79/57/72/353795772.db2.gz YGWVVJKRVGTKKO-OLZOCXBDSA-N 2 0 218.344 2.244 10 0 BEAERP CC(C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577946804 366126178 /nfs/dbraw/zinc/12/61/78/366126178.db2.gz SZKYAEAMMQCVBG-JHJVBQTASA-N 2 0 212.381 2.256 10 0 BEAERP CSCCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000235130486 363438316 /nfs/dbraw/zinc/43/83/16/363438316.db2.gz PKOHNJNIMVUXQA-UHFFFAOYSA-N 2 0 230.421 2.379 10 0 BEAERP CCC[C@H](C[NH2+]C1CCC([NH3+])CC1)OCC ZINC000530212176 324527604 /nfs/dbraw/zinc/52/76/04/324527604.db2.gz PIEGGNULJCYIGC-WXRRBKDZSA-N 2 0 228.380 2.051 10 0 BEAERP NC(=[NH2+])CC[N@H+](CCc1ccccc1)C1CC1 ZINC000042547916 181186229 /nfs/dbraw/zinc/18/62/29/181186229.db2.gz ZEGJOJPSLNIPGE-UHFFFAOYSA-N 2 0 231.343 2.020 10 0 BEAERP [NH2+]=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000062993326 181200564 /nfs/dbraw/zinc/20/05/64/181200564.db2.gz MAYMVDJYHZCYKB-CHWSQXEVSA-N 2 0 235.375 2.370 10 0 BEAERP CC[C@@H]1CN(C/C(C)=C\Cl)CC[C@@H]1[NH3+] ZINC000308440365 355578422 /nfs/dbraw/zinc/57/84/22/355578422.db2.gz DXTSYTWHGGURPP-KJNJGPFHSA-N 2 0 216.756 2.188 10 0 BEAERP FC1(F)CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423079658 192561084 /nfs/dbraw/zinc/56/10/84/192561084.db2.gz YOPWRCLNDUMCNI-IJLUTSLNSA-N 2 0 244.329 2.294 10 0 BEAERP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(C)c1 ZINC000675055571 538475665 /nfs/dbraw/zinc/47/56/65/538475665.db2.gz VEKJNMBFSFMXOD-ZIAGYGMSSA-N 2 0 218.344 2.479 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(C)c1 ZINC000675055569 538476035 /nfs/dbraw/zinc/47/60/35/538476035.db2.gz VEKJNMBFSFMXOD-UONOGXRCSA-N 2 0 218.344 2.479 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000257778256 538754155 /nfs/dbraw/zinc/75/41/55/538754155.db2.gz NKSXNHXXILHMCP-RQJABVFESA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000257778255 538754990 /nfs/dbraw/zinc/75/49/90/538754990.db2.gz NKSXNHXXILHMCP-RFQIPJPRSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000583018739 357450227 /nfs/dbraw/zinc/45/02/27/357450227.db2.gz MUQZJNWSWYYFQJ-AAVRWANBSA-N 2 0 224.392 2.400 10 0 BEAERP CC(C)[NH2+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000685947454 538889147 /nfs/dbraw/zinc/88/91/47/538889147.db2.gz NNOPUZYIQZTWDO-AGIUHOORSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1cccc([C@@H](C[NH3+])C[NH2+]C(C)C)c1 ZINC000685949603 538893027 /nfs/dbraw/zinc/89/30/27/538893027.db2.gz UUDPMNBIWXQVOM-ZDUSSCGKSA-N 2 0 206.333 2.035 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCCC1(C)C ZINC000685951373 538894472 /nfs/dbraw/zinc/89/44/72/538894472.db2.gz RMTLHLBEAMRCFX-QWRGUYRKSA-N 2 0 210.365 2.105 10 0 BEAERP CCC[N@H+](C(C)C)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950985 538894808 /nfs/dbraw/zinc/89/48/08/538894808.db2.gz KPHRFJLPWKCAEX-VXGBXAGGSA-N 2 0 212.381 2.351 10 0 BEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccs1 ZINC000234803788 357831281 /nfs/dbraw/zinc/83/12/81/357831281.db2.gz QAQFKQIVAZZXHP-QWRGUYRKSA-N 2 0 242.388 2.153 10 0 BEAERP C[C@H]([NH2+]CCc1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000584833976 358197071 /nfs/dbraw/zinc/19/70/71/358197071.db2.gz BCYZPULDEVOPCB-AAEUAGOBSA-N 2 0 238.400 2.268 10 0 BEAERP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600392 358434411 /nfs/dbraw/zinc/43/44/11/358434411.db2.gz XXQYPRWOZKUAMD-AEGPPILISA-N 2 0 230.355 2.241 10 0 BEAERP CCC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400492595 358964979 /nfs/dbraw/zinc/96/49/79/358964979.db2.gz ZVEDUZYXVXFNOL-RYUDHWBXSA-N 2 0 210.365 2.154 10 0 BEAERP CCN1C[C@H]([NH2+][C@H](C)C2CCC2)[C@@H](C)C1 ZINC000309044905 491143333 /nfs/dbraw/zinc/14/33/33/491143333.db2.gz NTFHGRDLZUIELD-LOWVWBTDSA-N 2 0 210.365 2.105 10 0 BEAERP CC[C@H](CSC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578518560 366588307 /nfs/dbraw/zinc/58/83/07/366588307.db2.gz UWEIJYYJOUKYGD-SDDRHHMPSA-N 2 0 230.421 2.106 10 0 BEAERP COCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578738381 366634762 /nfs/dbraw/zinc/63/47/62/366634762.db2.gz OULGVVMDYGVDLW-STQMWFEESA-N 2 0 242.407 2.027 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000622044091 370675309 /nfs/dbraw/zinc/67/53/09/370675309.db2.gz UMYWQASWHVYMRA-HBNTYKKESA-N 2 0 232.318 2.009 10 0 BEAERP [NH3+]C1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000334591789 181342435 /nfs/dbraw/zinc/34/24/35/181342435.db2.gz RWAGIEFZNANGFI-MCIGGMRASA-N 2 0 208.349 2.179 10 0 BEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(F)c1 ZINC000054628190 181345347 /nfs/dbraw/zinc/34/53/47/181345347.db2.gz HTXAZVQDUSCFSC-GOOCMWNKSA-N 2 0 248.345 2.322 10 0 BEAERP CCC(C)(C)[NH2+]C[C@H]1C[NH2+]CC12CCC2 ZINC000725269808 541339267 /nfs/dbraw/zinc/33/92/67/541339267.db2.gz ZEOOUGVMTAIVKC-LLVKDONJSA-N 2 0 210.365 2.154 10 0 BEAERP Cc1[nH+]ccc(N2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000630554191 364250227 /nfs/dbraw/zinc/25/02/27/364250227.db2.gz OSRXPNOZOPZYRZ-WCBMZHEXSA-N 2 0 239.750 2.074 10 0 BEAERP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1C[NH3+] ZINC000630568774 364264356 /nfs/dbraw/zinc/26/43/56/364264356.db2.gz KHRGEUAJCSIVIG-NEPJUHHUSA-N 2 0 241.338 2.266 10 0 BEAERP [NH3+]CCC[NH2+]CCSc1ccc(Cl)cc1 ZINC000027208349 181383318 /nfs/dbraw/zinc/38/33/18/181383318.db2.gz CAPWHQAYDTXGEY-UHFFFAOYSA-N 2 0 244.791 2.371 10 0 BEAERP [NH3+]C[C@@H](c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000002513184 181426378 /nfs/dbraw/zinc/42/63/78/181426378.db2.gz CLQOCVWWNBVYJO-JQWIXIFHSA-N 2 0 224.735 2.134 10 0 BEAERP C[C@@H]1C[C@H]([NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000675056247 541462403 /nfs/dbraw/zinc/46/24/03/541462403.db2.gz NBIOJMORQJJEIV-MROQNXINSA-N 2 0 210.365 2.390 10 0 BEAERP CC(C)[NH+](C(C)C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080594 541468019 /nfs/dbraw/zinc/46/80/19/541468019.db2.gz SSDSNPVWNIEBCY-OLZOCXBDSA-N 2 0 240.391 2.002 10 0 BEAERP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000581720406 367782804 /nfs/dbraw/zinc/78/28/04/367782804.db2.gz STEYQSJBQZEDSZ-CMPLNLGQSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]CCC1(F)CCC1)[C@H]1CCC[NH2+]C1 ZINC000581878534 367865787 /nfs/dbraw/zinc/86/57/87/367865787.db2.gz NDBNJWWHDSXGLN-RYUDHWBXSA-N 2 0 228.355 2.246 10 0 BEAERP [NH3+][C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000101467051 368383877 /nfs/dbraw/zinc/38/38/77/368383877.db2.gz XSLBNUDXCRSMOS-CABCVRRESA-N 2 0 230.355 2.390 10 0 BEAERP [NH3+]C1([C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000215116917 369091164 /nfs/dbraw/zinc/09/11/64/369091164.db2.gz VIPFPSNLUKVPIB-CQSZACIVSA-N 2 0 230.355 2.390 10 0 BEAERP C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838044 369114675 /nfs/dbraw/zinc/11/46/75/369114675.db2.gz YVLYQWMHUAAIBZ-NEPJUHHUSA-N 2 0 224.392 2.339 10 0 BEAERP C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000567645827 326238090 /nfs/dbraw/zinc/23/80/90/326238090.db2.gz AUCGHNNWGBKXIZ-UWVGGRQHSA-N 2 0 238.297 2.307 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000631837505 372626532 /nfs/dbraw/zinc/62/65/32/372626532.db2.gz SYSAUBMJBJPESZ-AAEUAGOBSA-N 2 0 236.334 2.161 10 0 BEAERP CC(C)C[C@H](C)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838931 372634263 /nfs/dbraw/zinc/63/42/63/372634263.db2.gz XFNPIURGBFOAOT-RWMBFGLXSA-N 2 0 212.381 2.195 10 0 BEAERP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839373 372636581 /nfs/dbraw/zinc/63/65/81/372636581.db2.gz FPLXSOGBFIQVLW-WZRBSPASSA-N 2 0 236.334 2.413 10 0 BEAERP C[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631844032 372642684 /nfs/dbraw/zinc/64/26/84/372642684.db2.gz DXBHQLGCDSWKSM-JQWIXIFHSA-N 2 0 238.762 2.367 10 0 BEAERP CCCC[C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C ZINC000042781918 169009370 /nfs/dbraw/zinc/00/93/70/169009370.db2.gz NZWXARTYCODNOV-AWEZNQCLSA-N 2 0 243.439 2.024 10 0 BEAERP CCC[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747651 169048805 /nfs/dbraw/zinc/04/88/05/169048805.db2.gz CYLSWHORXRESQU-FUNVUKJBSA-N 2 0 210.365 2.390 10 0 BEAERP CCCN(CC[NH2+]C(CC)CC)CC[NH+](C)C ZINC000053435965 169159270 /nfs/dbraw/zinc/15/92/70/169159270.db2.gz WOZXJXSSGMERSO-UHFFFAOYSA-N 2 0 243.439 2.038 10 0 BEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)CC)CC1 ZINC000122756538 169187568 /nfs/dbraw/zinc/18/75/68/169187568.db2.gz QYCDGMCLUSHZRI-LBPRGKRZSA-N 2 0 212.381 2.497 10 0 BEAERP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000050368985 169189959 /nfs/dbraw/zinc/18/99/59/169189959.db2.gz VOOSSYBQRGGZPM-KBPBESRZSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654017 169208123 /nfs/dbraw/zinc/20/81/23/169208123.db2.gz LSFDYFLOEXRDQN-OLZOCXBDSA-N 2 0 210.365 2.203 10 0 BEAERP c1[nH]c2cc[nH+]cc2c1C1CC[NH2+]CC1 ZINC000082382092 183363147 /nfs/dbraw/zinc/36/31/47/183363147.db2.gz QVRSFBCEBCYYBS-UHFFFAOYSA-N 2 0 201.273 2.030 10 0 BEAERP CCC[NH2+]CCC[N@H+](CCO)C1CCCCC1 ZINC000042513807 169257064 /nfs/dbraw/zinc/25/70/64/169257064.db2.gz UVBOTVVJCQIKRL-UHFFFAOYSA-N 2 0 242.407 2.003 10 0 BEAERP CCC[NH2+]C[C@H](C)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000052510618 169263180 /nfs/dbraw/zinc/26/31/80/169263180.db2.gz MIQDHSPTNCBCET-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP c1ccc(CCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000128883111 183391346 /nfs/dbraw/zinc/39/13/46/183391346.db2.gz FGVJVWVNZNIZKP-OAHLLOKOSA-N 2 0 232.371 2.351 10 0 BEAERP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053012496 183393586 /nfs/dbraw/zinc/39/35/86/183393586.db2.gz LXEIXMWEIAAYIQ-HNNXBMFYSA-N 2 0 244.382 2.303 10 0 BEAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1C ZINC000082421767 169269406 /nfs/dbraw/zinc/26/94/06/169269406.db2.gz VYLNFDPAOUSFJG-UHFFFAOYSA-N 2 0 241.404 2.055 10 0 BEAERP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000082346760 183399313 /nfs/dbraw/zinc/39/93/13/183399313.db2.gz AIXYZOFSNKRARQ-HUUCEWRRSA-N 2 0 230.355 2.261 10 0 BEAERP CCCO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH2+]CC)C1 ZINC000052371515 169312048 /nfs/dbraw/zinc/31/20/48/169312048.db2.gz IZYVLVVQXIHSTC-UONOGXRCSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH2+][C@H]1CC[N@H+](CCCOCC)[C@H](C)C1 ZINC000049709351 169291987 /nfs/dbraw/zinc/29/19/87/169291987.db2.gz CYBQGQGIKMZQLS-KGLIPLIRSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[C@@H](C)[NH2+]CCN1CCC(OCC)CC1 ZINC000053389280 169369459 /nfs/dbraw/zinc/36/94/59/169369459.db2.gz CAIPKYUGJYWEIM-CYBMUJFWSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[C@@H]([NH3+])[C@@H](CC)N(C)CCc1ccccn1 ZINC000020260816 169392679 /nfs/dbraw/zinc/39/26/79/169392679.db2.gz UZFQFDQRGCKLOJ-HUUCEWRRSA-N 2 0 249.402 2.462 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000250644015 259599621 /nfs/dbraw/zinc/59/96/21/259599621.db2.gz IFQRFSKEHYUZAT-SOUVJXGZSA-N 2 0 230.355 2.246 10 0 BEAERP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH3+])C3)c2c1 ZINC000073738630 384020882 /nfs/dbraw/zinc/02/08/82/384020882.db2.gz LAEHGBQGGCPNQI-NSHDSACASA-N 2 0 227.311 2.081 10 0 BEAERP [NH3+]Cc1ccc([C@H](C[NH3+])c2ccccc2)cc1 ZINC000090608573 384061870 /nfs/dbraw/zinc/06/18/70/384061870.db2.gz SFBZZBYOHMABHK-OAHLLOKOSA-N 2 0 226.323 2.236 10 0 BEAERP C[N@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CCC[NH2+]CC1 ZINC000302315797 384141267 /nfs/dbraw/zinc/14/12/67/384141267.db2.gz BSXGTXXWHUMIPC-RYUDHWBXSA-N 2 0 246.345 2.496 10 0 BEAERP CCC[NH+](C)CCCC[N@@H+](C)CCC ZINC000118401350 384199975 /nfs/dbraw/zinc/19/99/75/384199975.db2.gz GVNQCTOOBHXHPI-UHFFFAOYSA-N 2 0 200.370 2.450 10 0 BEAERP CS[C@@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336460625 384230425 /nfs/dbraw/zinc/23/04/25/384230425.db2.gz OMKRDNQHACRNCX-QWHCGFSZSA-N 2 0 242.432 2.204 10 0 BEAERP C[N@@H+]1C=C[C@@H](C[NH3+])C=C1Cc1ccccc1 ZINC000100271510 384631331 /nfs/dbraw/zinc/63/13/31/384631331.db2.gz SZRAFFVEQWNMNY-CYBMUJFWSA-N 2 0 214.312 2.147 10 0 BEAERP CCCC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000082533458 384690386 /nfs/dbraw/zinc/69/03/86/384690386.db2.gz HVEBIMKKDVZODG-UHFFFAOYSA-N 2 0 210.365 2.252 10 0 BEAERP C[C@@H]1C[C@H](CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000083254961 384754831 /nfs/dbraw/zinc/75/48/31/384754831.db2.gz MNHIPMWKEKKGBU-OCCSQVGLSA-N 2 0 218.344 2.246 10 0 BEAERP CC[C@@H]([NH3+])CNc1cc[nH+]c(C)c1Cl ZINC000306567510 385088578 /nfs/dbraw/zinc/08/85/78/385088578.db2.gz ZZIMEIWAWPUGLY-MRVPVSSYSA-N 2 0 213.712 2.193 10 0 BEAERP C[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)C[NH+](C)C ZINC000336733735 385643833 /nfs/dbraw/zinc/64/38/33/385643833.db2.gz GQXPWPNLKYKCOL-AGIUHOORSA-N 2 0 230.371 2.302 10 0 BEAERP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335035647 385925146 /nfs/dbraw/zinc/92/51/46/385925146.db2.gz WYFMBSJGGAINBI-MNOVXSKESA-N 2 0 232.318 2.296 10 0 BEAERP C[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062910819 386531379 /nfs/dbraw/zinc/53/13/79/386531379.db2.gz MMDYFQJVKBGXPF-AWEZNQCLSA-N 2 0 218.344 2.118 10 0 BEAERP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000520216769 386602273 /nfs/dbraw/zinc/60/22/73/386602273.db2.gz DLYURNFPCJIEBM-AAEUAGOBSA-N 2 0 224.392 2.400 10 0 BEAERP CC(C)COCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000520393119 386661407 /nfs/dbraw/zinc/66/14/07/386661407.db2.gz COAKEVNHLFIVQQ-UONOGXRCSA-N 2 0 242.407 2.027 10 0 BEAERP CC(C)COCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000520393118 386662279 /nfs/dbraw/zinc/66/22/79/386662279.db2.gz COAKEVNHLFIVQQ-KGLIPLIRSA-N 2 0 242.407 2.027 10 0 BEAERP CCCC1(C[NH2+]C2CC[NH2+]CC2)CCC1 ZINC000391803630 386665341 /nfs/dbraw/zinc/66/53/41/386665341.db2.gz JJGKCJYCEYWITO-UHFFFAOYSA-N 2 0 210.365 2.298 10 0 BEAERP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Cl ZINC000398387417 386818205 /nfs/dbraw/zinc/81/82/05/386818205.db2.gz XIYKLTARHHLRQO-LBPRGKRZSA-N 2 0 238.762 2.348 10 0 BEAERP Cc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1C ZINC000398372020 386818710 /nfs/dbraw/zinc/81/87/10/386818710.db2.gz QQGXDMJYUZCLJI-CYBMUJFWSA-N 2 0 218.344 2.003 10 0 BEAERP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398353388 386813453 /nfs/dbraw/zinc/81/34/53/386813453.db2.gz JOVNXRWMVZNDLE-CYBMUJFWSA-N 2 0 218.344 2.003 10 0 BEAERP C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000335010767 387107627 /nfs/dbraw/zinc/10/76/27/387107627.db2.gz PGTCABZRYLTPGK-LHALRJPCSA-N 2 0 234.387 2.009 10 0 BEAERP CCOc1ccccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575438763 387119216 /nfs/dbraw/zinc/11/92/16/387119216.db2.gz ADXPIPUXPYGLMZ-GFCCVEGCSA-N 2 0 222.332 2.214 10 0 BEAERP Cc1cc([C@H]([NH3+])CCC[NH3+])ccc1Cl ZINC000575439012 387121748 /nfs/dbraw/zinc/12/17/48/387121748.db2.gz OMPSKEWGYVDOHG-LLVKDONJSA-N 2 0 212.724 2.387 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc2cc[nH]c2c1 ZINC000575439458 387124075 /nfs/dbraw/zinc/12/40/75/387124075.db2.gz MNEQZDCMBUCKOW-GFCCVEGCSA-N 2 0 217.316 2.297 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000575439932 387125186 /nfs/dbraw/zinc/12/51/86/387125186.db2.gz ZHWBODIQYFDUAZ-MRVPVSSYSA-N 2 0 234.677 2.357 10 0 BEAERP Cc1cc(O)cc(C)c1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439709 387126298 /nfs/dbraw/zinc/12/62/98/387126298.db2.gz VGVVGKBAOLKUTO-LBPRGKRZSA-N 2 0 222.332 2.138 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000575440138 387128060 /nfs/dbraw/zinc/12/80/60/387128060.db2.gz JTSLTANBUJAEIL-JTQLQIEISA-N 2 0 232.249 2.233 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccccc1OC(F)F ZINC000575438282 387129362 /nfs/dbraw/zinc/12/93/62/387129362.db2.gz GXDBOEOYNIOGAE-VIFPVBQESA-N 2 0 230.258 2.027 10 0 BEAERP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423308059 387143551 /nfs/dbraw/zinc/14/35/51/387143551.db2.gz XGKTYCKNCIMQRM-CHWSQXEVSA-N 2 0 224.392 2.400 10 0 BEAERP Cc1ccc(C[NH+]2CCCCC2)cc1C[NH3+] ZINC000536955547 387167976 /nfs/dbraw/zinc/16/79/76/387167976.db2.gz ZHIWAGOVYJGJCY-UHFFFAOYSA-N 2 0 218.344 2.440 10 0 BEAERP CCCC[N@H+](C)C1(C2CC2)CC[NH2+]CC1 ZINC000536956232 387169626 /nfs/dbraw/zinc/16/96/26/387169626.db2.gz YVEKCYUWQAQUBR-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000575438714 387133390 /nfs/dbraw/zinc/13/33/90/387133390.db2.gz BSDRFMLWPJRRKA-LLVKDONJSA-N 2 0 214.259 2.094 10 0 BEAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400444219 387315549 /nfs/dbraw/zinc/31/55/49/387315549.db2.gz NDSIWXBKSSRKIZ-OUCADQQQSA-N 2 0 248.370 2.344 10 0 BEAERP CC(C)CC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400435602 387285827 /nfs/dbraw/zinc/28/58/27/387285827.db2.gz LEYKTJNKZBHRAD-QWHCGFSZSA-N 2 0 224.392 2.400 10 0 BEAERP CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000514872177 387305980 /nfs/dbraw/zinc/30/59/80/387305980.db2.gz CNIYRLDRPMSTKJ-ZIAGYGMSSA-N 2 0 242.407 2.027 10 0 BEAERP CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@H]1C[C@@H]1C ZINC000321952370 387336361 /nfs/dbraw/zinc/33/63/61/387336361.db2.gz XAFPEPKUHQIUCW-RNJOBUHISA-N 2 0 210.365 2.105 10 0 BEAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422772461 387671472 /nfs/dbraw/zinc/67/14/72/387671472.db2.gz YRYWCQSPSMBYEQ-IUCAKERBSA-N 2 0 210.346 2.007 10 0 BEAERP FC1(F)CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423079660 387876041 /nfs/dbraw/zinc/87/60/41/387876041.db2.gz YOPWRCLNDUMCNI-QJPTWQEYSA-N 2 0 244.329 2.294 10 0 BEAERP Cc1cccnc1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000423152295 387929764 /nfs/dbraw/zinc/92/97/64/387929764.db2.gz LOXRXVRPRHBHOL-UHFFFAOYSA-N 2 0 247.386 2.182 10 0 BEAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423167016 387950675 /nfs/dbraw/zinc/95/06/75/387950675.db2.gz RSXGHKPQPWSXEQ-RYUDHWBXSA-N 2 0 218.344 2.254 10 0 BEAERP C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400549542 388022368 /nfs/dbraw/zinc/02/23/68/388022368.db2.gz XAAGZNIFIKAVPL-ZUWCUPBKSA-N 2 0 224.392 2.399 10 0 BEAERP C1=CC[C@@H](CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000530218256 388631870 /nfs/dbraw/zinc/63/18/70/388631870.db2.gz KYJILYARMYOTIU-KGLIPLIRSA-N 2 0 222.376 2.465 10 0 BEAERP C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CC[NH2+]C1 ZINC000400468368 533330918 /nfs/dbraw/zinc/33/09/18/533330918.db2.gz UMKDXEXRUPYDLY-UDURLJJFSA-N 2 0 248.414 2.399 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400396410 533409527 /nfs/dbraw/zinc/40/95/27/533409527.db2.gz JMJQZLZYFZJXHZ-NFAWXSAZSA-N 2 0 232.371 2.378 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400483124 533495048 /nfs/dbraw/zinc/49/50/48/533495048.db2.gz WRHMLCPKZGTXBX-DMDPSCGWSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400359823 533546746 /nfs/dbraw/zinc/54/67/46/533546746.db2.gz CQRJZPQVGIMLSN-ITGHMWBKSA-N 2 0 224.392 2.399 10 0 BEAERP C[NH+](C)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000218951101 134268780 /nfs/dbraw/zinc/26/87/80/134268780.db2.gz KBTWUDRZFDXDHA-MGPQQGTHSA-N 2 0 222.376 2.415 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252728709 135102355 /nfs/dbraw/zinc/10/23/55/135102355.db2.gz CKUZDPSZJNLYIS-RFGFWPKPSA-N 2 0 222.376 2.391 10 0 BEAERP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533069 135163873 /nfs/dbraw/zinc/16/38/73/135163873.db2.gz DMMMVAOWGRTAIL-WDEREUQCSA-N 2 0 232.318 2.093 10 0 BEAERP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1CCC(C)CC1 ZINC000261536979 135172854 /nfs/dbraw/zinc/17/28/54/135172854.db2.gz ULIUWVVUIDXIOR-MVKMKZAISA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538259 135175230 /nfs/dbraw/zinc/17/52/30/135175230.db2.gz UNHYWDSVERHZFX-RYUDHWBXSA-N 2 0 246.345 2.483 10 0 BEAERP C[C@H]1CCN(Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000261543585 135184679 /nfs/dbraw/zinc/18/46/79/135184679.db2.gz UWNJFJQWNQPCLB-FZMZJTMJSA-N 2 0 236.334 2.385 10 0 BEAERP [NH3+]C1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000094088749 135610267 /nfs/dbraw/zinc/61/02/67/135610267.db2.gz YENMMHNWBJJSSJ-UHFFFAOYSA-N 2 0 248.370 2.315 10 0 BEAERP C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000335007129 135864135 /nfs/dbraw/zinc/86/41/35/135864135.db2.gz FKRCJPKDEQGJDH-VXGBXAGGSA-N 2 0 222.376 2.297 10 0 BEAERP C[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)CC(C)(C)C1 ZINC000335551109 136098152 /nfs/dbraw/zinc/09/81/52/136098152.db2.gz AJBKTLSBRMRLEW-ZYHUDNBSSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H](CNc1cc[nH+]cc1)C[NH+]1CCCC1 ZINC000062075749 1172737434 /nfs/dbraw/zinc/73/74/34/1172737434.db2.gz DKYIXYLGOHHKQU-LBPRGKRZSA-N 2 0 219.332 2.225 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000306887723 397939233 /nfs/dbraw/zinc/93/92/33/397939233.db2.gz RAVHCDUYAMTKCJ-VIFPVBQESA-N 2 0 219.115 2.342 10 0 BEAERP c1coc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000214171113 487602361 /nfs/dbraw/zinc/60/23/61/487602361.db2.gz XLVVMWLSMAESTJ-UHFFFAOYSA-N 2 0 248.370 2.459 10 0 BEAERP C[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)(C)C ZINC000309270012 410690340 /nfs/dbraw/zinc/69/03/40/410690340.db2.gz CYIAPCIJSFJGBQ-YVECIDJPSA-N 2 0 224.392 2.338 10 0 BEAERP CC(C)[NH2+]CC(C)(C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934223 167098424 /nfs/dbraw/zinc/09/84/24/167098424.db2.gz AWHCTUOVCGANMA-CYBMUJFWSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)[NH2+]CCCCC[N@H+](C)CCC[NH+](C)C ZINC000104195928 167101908 /nfs/dbraw/zinc/10/19/08/167101908.db2.gz CCXGJZPOPIJQAK-UHFFFAOYSA-N 3 0 243.439 2.038 10 0 BEAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)CCC[NH+](C)C ZINC000104198358 167102721 /nfs/dbraw/zinc/10/27/21/167102721.db2.gz QSPPBBIUTUAJDS-CQSZACIVSA-N 3 0 243.439 2.037 10 0 BEAERP CC(C)[NH2+]CCCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000041681533 167103094 /nfs/dbraw/zinc/10/30/94/167103094.db2.gz MAGJEAUATZZFNU-ZDUSSCGKSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCOC(C)(C)C1 ZINC000052481869 167103130 /nfs/dbraw/zinc/10/31/30/167103130.db2.gz ILGCKEHNRPKSAM-UHFFFAOYSA-N 2 0 242.407 2.266 10 0 BEAERP CC(C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000125556790 167119097 /nfs/dbraw/zinc/11/90/97/167119097.db2.gz KHAQFGDFOZPULQ-UHFFFAOYSA-N 2 0 224.323 2.385 10 0 BEAERP CC(C)OCC[N@H+](C)Cc1ccccc1C[NH3+] ZINC000049259284 167229957 /nfs/dbraw/zinc/22/99/57/167229957.db2.gz UJNVDHKJJQWBGQ-UHFFFAOYSA-N 2 0 236.359 2.002 10 0 BEAERP CC[NH+](CC)Cc1ccccc1CC[NH2+]C ZINC000083022195 169791416 /nfs/dbraw/zinc/79/14/16/169791416.db2.gz YPLOZFBWGHFHLI-UHFFFAOYSA-N 2 0 220.360 2.290 10 0 BEAERP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000051890044 411284861 /nfs/dbraw/zinc/28/48/61/411284861.db2.gz YOPLCGZZTYOFOK-LBPRGKRZSA-N 2 0 238.762 2.381 10 0 BEAERP Cc1[nH+]ccc(NCC2([NH3+])CCCC2)c1Cl ZINC000656610930 411308826 /nfs/dbraw/zinc/30/88/26/411308826.db2.gz WKHGOSYMUDTROS-UHFFFAOYSA-N 2 0 239.750 2.149 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403592315 411350732 /nfs/dbraw/zinc/35/07/32/411350732.db2.gz DKXMGIALJQDJRC-YJEBHAJESA-N 2 0 208.349 2.035 10 0 BEAERP CC1([NH2+]C[C@H]2CCCCN2)CCCCC1 ZINC000045047223 168062731 /nfs/dbraw/zinc/06/27/31/168062731.db2.gz SBHMXFRCPHKCAO-GFCCVEGCSA-N 2 0 210.365 2.441 10 0 BEAERP CC1CCC(C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000063145778 168153683 /nfs/dbraw/zinc/15/36/83/168153683.db2.gz QEEQCCAYYHLCRW-BPCQOVAHSA-N 2 0 210.365 2.093 10 0 BEAERP CC1CCC([N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000044527795 168159129 /nfs/dbraw/zinc/15/91/29/168159129.db2.gz TUJROXPGECJTIT-CPCZMJQVSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000035731263 168183368 /nfs/dbraw/zinc/18/33/68/168183368.db2.gz BDNOLYPBRJSNJG-OAHLLOKOSA-N 2 0 232.371 2.461 10 0 BEAERP CC[N@H+](CCOC)CC(C)(C)C[NH2+]CC(C)C ZINC000051254688 169863950 /nfs/dbraw/zinc/86/39/50/169863950.db2.gz LCXCQEWUMLVJCK-UHFFFAOYSA-N 2 0 244.423 2.227 10 0 BEAERP CC[NH2+]C[C@@H](C)C[NH+]1CCC(CC)CC1 ZINC000052346933 170119249 /nfs/dbraw/zinc/11/92/49/170119249.db2.gz MFAVTOZNMVAEEH-GFCCVEGCSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000053033759 170120153 /nfs/dbraw/zinc/12/01/53/170120153.db2.gz MAVZUKOTQWXFNR-NUEKZKHPSA-N 2 0 244.382 2.474 10 0 BEAERP CC[NH2+]C[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC000053653986 170120200 /nfs/dbraw/zinc/12/02/00/170120200.db2.gz ADSFUIOPBRBKFB-ZDUSSCGKSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000053033762 170122807 /nfs/dbraw/zinc/12/28/07/170122807.db2.gz MAVZUKOTQWXFNR-FVQBIDKESA-N 2 0 244.382 2.474 10 0 BEAERP CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000045205604 170127971 /nfs/dbraw/zinc/12/79/71/170127971.db2.gz IFBDILOPKVBNDN-UHFFFAOYSA-N 2 0 218.344 2.392 10 0 BEAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)C2CC2)c1 ZINC000052445379 170128510 /nfs/dbraw/zinc/12/85/10/170128510.db2.gz FGDXFUUMZJSIRA-UHFFFAOYSA-N 2 0 248.370 2.269 10 0 BEAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCSCC1 ZINC000060743772 170150531 /nfs/dbraw/zinc/15/05/31/170150531.db2.gz JEOKBRSQKVHUIR-CHWSQXEVSA-N 2 0 242.432 2.204 10 0 BEAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCSCC1 ZINC000060743778 170151047 /nfs/dbraw/zinc/15/10/47/170151047.db2.gz JEOKBRSQKVHUIR-QWHCGFSZSA-N 2 0 242.432 2.204 10 0 BEAERP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCCC1 ZINC000060720685 170166235 /nfs/dbraw/zinc/16/62/35/170166235.db2.gz VBORMLQNBVKEGY-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP CCOC1CC[NH+](C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858547 170332195 /nfs/dbraw/zinc/33/21/95/170332195.db2.gz PFARLFLLUMGDNY-OCCSQVGLSA-N 2 0 240.391 2.005 10 0 BEAERP COc1cccc([C@@H](C)[N@H+](C)CCC[NH3+])c1 ZINC000133210517 411656224 /nfs/dbraw/zinc/65/62/24/411656224.db2.gz IIOMZHSULXGDCF-LLVKDONJSA-N 2 0 222.332 2.037 10 0 BEAERP c1ccc2c(c1)ccnc2NC[C@H]1CC[NH2+]C1 ZINC000132072377 411754762 /nfs/dbraw/zinc/75/47/62/411754762.db2.gz JNPFIGAUJFUKQD-NSHDSACASA-N 2 0 227.311 2.256 10 0 BEAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cscn1 ZINC000229127585 487621428 /nfs/dbraw/zinc/62/14/28/487621428.db2.gz LMGGSQCJVRWOMX-IDKOKCKLSA-N 2 0 225.361 2.064 10 0 BEAERP CC[C@@H]1CC[N@H+](CCC(C)C)CCC[NH2+]1 ZINC000049663250 171009247 /nfs/dbraw/zinc/00/92/47/171009247.db2.gz YROBTDQJBRTQKQ-CYBMUJFWSA-N 2 0 212.381 2.497 10 0 BEAERP CC[C@@H]1CC[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049666206 171013932 /nfs/dbraw/zinc/01/39/32/171013932.db2.gz UEFMLKVRMAZXMC-MJBXVCDLSA-N 2 0 240.391 2.018 10 0 BEAERP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](CC)[C@@H](C)COC)C1 ZINC000042748066 171055980 /nfs/dbraw/zinc/05/59/80/171055980.db2.gz DXVRQYICFRQSBO-RFQIPJPRSA-N 2 0 242.407 2.249 10 0 BEAERP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)[C@@H](C)COC ZINC000051251451 171166642 /nfs/dbraw/zinc/16/66/42/171166642.db2.gz VAYVQFPFFUUTJT-JSGCOSHPSA-N 2 0 242.407 2.121 10 0 BEAERP C[C@H]1CC[C@@](C)(C[NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665238801 412178732 /nfs/dbraw/zinc/17/87/32/412178732.db2.gz DSGBALDRDZWNIB-OBJOEFQTSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000665263712 412207703 /nfs/dbraw/zinc/20/77/03/412207703.db2.gz SNBHHYWRNNDIMP-QRTUWBSPSA-N 2 0 236.403 2.400 10 0 BEAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CC[NH2+]C1 ZINC000665267292 412210880 /nfs/dbraw/zinc/21/08/80/412210880.db2.gz UCMDUHIXQMGXLJ-DGCLKSJQSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H]([NH2+]CC1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000665274535 412216807 /nfs/dbraw/zinc/21/68/07/412216807.db2.gz SDQKOSVGJNMSPO-AAEUAGOBSA-N 2 0 208.349 2.074 10 0 BEAERP CO[C@@H](C[NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000665275698 412219445 /nfs/dbraw/zinc/21/94/45/412219445.db2.gz PJZKTJHKAOFXFI-RUXDESIVSA-N 2 0 240.391 2.051 10 0 BEAERP CCc1ccc([C@@H](CC[NH3+])C[NH+](C)C)cc1 ZINC000076610440 171833146 /nfs/dbraw/zinc/83/31/46/171833146.db2.gz WSNLFHUHFOQMDF-AWEZNQCLSA-N 2 0 220.360 2.243 10 0 BEAERP CCc1ncc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000051694493 172018907 /nfs/dbraw/zinc/01/89/07/172018907.db2.gz MFPYPTFIFQEVTH-UHFFFAOYSA-N 2 0 239.388 2.065 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000068590137 173041976 /nfs/dbraw/zinc/04/19/76/173041976.db2.gz XORZBVQTSUNZOY-OLZOCXBDSA-N 2 0 204.317 2.028 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC000044536078 173042915 /nfs/dbraw/zinc/04/29/15/173042915.db2.gz FAMHVPKJCDRFCZ-CYBMUJFWSA-N 2 0 210.365 2.108 10 0 BEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]C1CCCC1)C2 ZINC000038019053 173206451 /nfs/dbraw/zinc/20/64/51/173206451.db2.gz DREMIEGEAWHWEM-QXMXGUDHSA-N 2 0 222.376 2.391 10 0 BEAERP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000037241335 173324483 /nfs/dbraw/zinc/32/44/83/173324483.db2.gz FZYKWFWJGQDVNN-LBPRGKRZSA-N 2 0 218.344 2.431 10 0 BEAERP C[NH2+]CC[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373071 173357901 /nfs/dbraw/zinc/35/79/01/173357901.db2.gz GZAMFGQAVQNIBB-HIFRSBDPSA-N 2 0 232.371 2.474 10 0 BEAERP C[NH2+]C[C@H]1CCCN1CCCc1cccs1 ZINC000019933384 173380328 /nfs/dbraw/zinc/38/03/28/173380328.db2.gz TUOQPUUEAFSXMZ-GFCCVEGCSA-N 2 0 238.400 2.365 10 0 BEAERP C[NH2+]Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049331840 173389693 /nfs/dbraw/zinc/38/96/93/173389693.db2.gz LNTILHIKNFVINK-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+]Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000019777331 173390807 /nfs/dbraw/zinc/39/08/07/173390807.db2.gz LSJWMLONLYTOLT-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381217 173390982 /nfs/dbraw/zinc/39/09/82/173390982.db2.gz OZSZGXJFSZMNHI-NSHDSACASA-N 2 0 222.332 2.231 10 0 BEAERP COCCC[N@@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053657330 174229404 /nfs/dbraw/zinc/22/94/04/174229404.db2.gz ATOJALFYAJEZOO-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+](CC(C)C)CC1CCC([NH3+])CC1 ZINC000042370872 174287063 /nfs/dbraw/zinc/28/70/63/174287063.db2.gz XUVFVTTYTGFIPT-UHFFFAOYSA-N 2 0 242.407 2.108 10 0 BEAERP COCC[N@H+](CC(C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052508778 174287111 /nfs/dbraw/zinc/28/71/11/174287111.db2.gz FYJNNJNMDHAWCV-CQSZACIVSA-N 2 0 244.423 2.367 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042367654 174287336 /nfs/dbraw/zinc/28/73/36/174287336.db2.gz QKDOEPZNOIORCN-ZIAGYGMSSA-N 2 0 242.407 2.108 10 0 BEAERP COCC[N@H+](CCC[C@@H]1CCC[NH2+]1)CC(C)C ZINC000052764474 174290533 /nfs/dbraw/zinc/29/05/33/174290533.db2.gz WCNRQVSAUDNDSQ-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616134 174302358 /nfs/dbraw/zinc/30/23/58/174302358.db2.gz LLWMEZRYEKZCBE-FPMFFAJLSA-N 2 0 240.391 2.003 10 0 BEAERP COCC[NH2+]CCCC[N@@H+]1CC[C@H](C)C[C@H]1C ZINC000053499333 174332045 /nfs/dbraw/zinc/33/20/45/174332045.db2.gz MPJDINXBSHXMEQ-UONOGXRCSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[NH2+]CCCC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000053499322 174332895 /nfs/dbraw/zinc/33/28/95/174332895.db2.gz LDLLLYMYGNLEHQ-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH3+] ZINC000037713400 175207848 /nfs/dbraw/zinc/20/78/48/175207848.db2.gz WXVALGVDHFJRMN-CQSZACIVSA-N 2 0 234.343 2.011 10 0 BEAERP COc1ccccc1[C@H](CC[NH3+])C[NH+]1CCCC1 ZINC000076634829 175353306 /nfs/dbraw/zinc/35/33/06/175353306.db2.gz BTJXCNYMBTVARZ-CYBMUJFWSA-N 2 0 248.370 2.223 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)CC[NH3+])c1ccccc1 ZINC000049813551 175672676 /nfs/dbraw/zinc/67/26/76/175672676.db2.gz VFUHJBUSSMTVAN-NWDGAFQWSA-N 2 0 206.333 2.322 10 0 BEAERP C[C@@H](CCc1ccco1)[NH+]1CCC[NH2+]CCC1 ZINC000049667790 175686702 /nfs/dbraw/zinc/68/67/02/175686702.db2.gz KVSKFVHKIGXHEH-ZDUSSCGKSA-N 2 0 236.359 2.286 10 0 BEAERP C[C@@H]1CCC[C@@H](C)C1[NH+]1CCC(C[NH3+])CC1 ZINC000044511965 176113388 /nfs/dbraw/zinc/11/33/88/176113388.db2.gz XKKXWRVWBOFEBK-VXGBXAGGSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000049664189 176176602 /nfs/dbraw/zinc/17/66/02/176176602.db2.gz UPEMOVGXUYJDBR-CYBMUJFWSA-N 2 0 218.344 2.261 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC1CCCC1 ZINC000042427489 176202660 /nfs/dbraw/zinc/20/26/60/176202660.db2.gz PPPDKNRTKUJMCH-YPMHNXCESA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000044412931 176223660 /nfs/dbraw/zinc/22/36/60/176223660.db2.gz XIPMFJXMWYKXRY-DGCLKSJQSA-N 2 0 236.334 2.385 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C2CCCC2)C1 ZINC000049664909 176329180 /nfs/dbraw/zinc/32/91/80/176329180.db2.gz WGLNXLUHZJMZDZ-VXGBXAGGSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH3+])o2)C1 ZINC000052420642 176361706 /nfs/dbraw/zinc/36/17/06/176361706.db2.gz JSSMRNACWYUQKE-GHMZBOCLSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@H](c1cccs1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000043501414 177049061 /nfs/dbraw/zinc/04/90/61/177049061.db2.gz QYMSWJMQVBNDBN-GHMZBOCLSA-N 2 0 224.373 2.493 10 0 BEAERP C[C@H](c1cccs1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256836 177049069 /nfs/dbraw/zinc/04/90/69/177049069.db2.gz MIHDNGGEPCMZHF-MNOVXSKESA-N 2 0 224.373 2.480 10 0 BEAERP C[C@H]1CCCC[C@H]1[NH+]1CCC(C[NH3+])CC1 ZINC000044511943 177087088 /nfs/dbraw/zinc/08/70/88/177087088.db2.gz ISXLQVINGCMJML-WCQYABFASA-N 2 0 210.365 2.236 10 0 BEAERP C[C@H]1CCCN1[C@@H](C[NH3+])c1ccccc1F ZINC000037910324 177111608 /nfs/dbraw/zinc/11/16/08/177111608.db2.gz DRDGZLNSKHLKEX-GWCFXTLKSA-N 2 0 222.307 2.310 10 0 BEAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657859 177131905 /nfs/dbraw/zinc/13/19/05/177131905.db2.gz CXIWKWIZBDVULW-QWRGUYRKSA-N 2 0 246.358 2.129 10 0 BEAERP C[C@@H]1CC[N@@H+](CCc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049667376 177161593 /nfs/dbraw/zinc/16/15/93/177161593.db2.gz MWECQUJMWFOPOW-BETUJISGSA-N 2 0 236.359 2.285 10 0 BEAERP C[C@H]1CC[N@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000040717025 177163511 /nfs/dbraw/zinc/16/35/11/177163511.db2.gz GXESIQLLABWTLC-JTQLQIEISA-N 2 0 222.307 2.126 10 0 BEAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052510142 177163527 /nfs/dbraw/zinc/16/35/27/177163527.db2.gz YTMORSMBLUYIDG-WDEREUQCSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@H]1CC[N@H+](Cc2occc2C[NH2+]C2CC2)C1 ZINC000052484377 177168728 /nfs/dbraw/zinc/16/87/28/177168728.db2.gz MTWCQXHSZYEZQZ-NSHDSACASA-N 2 0 234.343 2.373 10 0 BEAERP C[C@@H](Cc1ccco1)[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049667150 177281258 /nfs/dbraw/zinc/28/12/58/177281258.db2.gz CWPHRDUJJMDDCH-STQMWFEESA-N 2 0 236.359 2.142 10 0 BEAERP C[C@@H](c1ccncc1)[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049666709 177281502 /nfs/dbraw/zinc/28/15/02/177281502.db2.gz ONQYRGBFQDRVAZ-STQMWFEESA-N 2 0 233.359 2.074 10 0 BEAERP C[C@H]1C[NH2+]CCC[N@@H+](C2CCCCC2)C1 ZINC000049665031 177281670 /nfs/dbraw/zinc/28/16/70/177281670.db2.gz MBOQMLQPOQGJCS-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049661335 177282537 /nfs/dbraw/zinc/28/25/37/177282537.db2.gz HTXVCTKKWFBJTI-STQMWFEESA-N 2 0 218.344 2.289 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C(C2CC2)C2CC2)C1 ZINC000049668087 177284667 /nfs/dbraw/zinc/28/46/67/177284667.db2.gz NERSHPNGSGXCDO-TXEJJXNPSA-N 2 0 236.403 2.352 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C2CCCCC2)C1 ZINC000049665034 177286017 /nfs/dbraw/zinc/28/60/17/177286017.db2.gz KOGHYQOULZTQSE-STQMWFEESA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000053860468 177312724 /nfs/dbraw/zinc/31/27/24/177312724.db2.gz JCMILBPCTUUGHV-RNJOBUHISA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C[NH3+])co2)C1 ZINC000052420757 177313577 /nfs/dbraw/zinc/31/35/77/177313577.db2.gz SXKUSLNGRVOAEM-PHIMTYICSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccccc1F ZINC000049708315 177327435 /nfs/dbraw/zinc/32/74/35/177327435.db2.gz URUTYXYLXYJVLC-AAEUAGOBSA-N 2 0 236.334 2.180 10 0 BEAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400317789 226340088 /nfs/dbraw/zinc/34/00/88/226340088.db2.gz ADAAYDOAXQPFIF-XQHKEYJVSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400398674 226342597 /nfs/dbraw/zinc/34/25/97/226342597.db2.gz JYHXTOJVTVJCDW-QWRGUYRKSA-N 2 0 224.373 2.144 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400396414 226342604 /nfs/dbraw/zinc/34/26/04/226342604.db2.gz JMJQZLZYFZJXHZ-VNHYZAJKSA-N 2 0 232.371 2.378 10 0 BEAERP CSCCCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400398000 226342816 /nfs/dbraw/zinc/34/28/16/226342816.db2.gz JTNUMGOLYVJELA-NWDGAFQWSA-N 2 0 230.421 2.107 10 0 BEAERP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400430075 226343450 /nfs/dbraw/zinc/34/34/50/226343450.db2.gz BNFUACBHJSCIBS-FDYHWXHSSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400435482 226343536 /nfs/dbraw/zinc/34/35/36/226343536.db2.gz LAZCPJXNBWJXEE-YVECIDJPSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CC[NH2+]C1 ZINC000400430078 226343539 /nfs/dbraw/zinc/34/35/39/226343539.db2.gz BNFUACBHJSCIBS-FVCCEPFGSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400458639 226344148 /nfs/dbraw/zinc/34/41/48/226344148.db2.gz QUYPIKPMWDZLCJ-TUAOUCFPSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400474736 226344467 /nfs/dbraw/zinc/34/44/67/226344467.db2.gz ZJOJOBBVVIHMFF-GXTWGEPZSA-N 2 0 218.344 2.083 10 0 BEAERP C[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400505685 226345416 /nfs/dbraw/zinc/34/54/16/226345416.db2.gz DEKGWVJSCRLWDW-VHSXEESVSA-N 2 0 220.307 2.009 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400534679 229150866 /nfs/dbraw/zinc/15/08/66/229150866.db2.gz SRBGQRMVXPZWER-SYQHCUMBSA-N 2 0 224.392 2.400 10 0 BEAERP CC[NH2+]CC1CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000087645396 487673319 /nfs/dbraw/zinc/67/33/19/487673319.db2.gz GNJZAEROTBRHTK-LBPRGKRZSA-N 2 0 212.381 2.352 10 0 BEAERP CCN(CC[NH3+])c1cc[nH+]c2ccccc21 ZINC000082591967 487860984 /nfs/dbraw/zinc/86/09/84/487860984.db2.gz IQOFLFIHZFOKTJ-UHFFFAOYSA-N 2 0 215.300 2.020 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000666743697 487869771 /nfs/dbraw/zinc/86/97/71/487869771.db2.gz OUARPOHTBFNGAH-KGYLQXTDSA-N 2 0 210.365 2.282 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000572593364 322994962 /nfs/dbraw/zinc/99/49/62/322994962.db2.gz NSVOIMKQFZLTOY-ZOBORPQBSA-N 2 0 224.392 2.400 10 0 BEAERP CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570262394 323054395 /nfs/dbraw/zinc/05/43/95/323054395.db2.gz QHKRNRVBADWGTE-VXGBXAGGSA-N 2 0 212.381 2.400 10 0 BEAERP [NH3+]C1CCC([NH2+][C@H]2C[C@H]2c2ccccc2)CC1 ZINC000094088490 323187859 /nfs/dbraw/zinc/18/78/59/323187859.db2.gz ALHBJBCQLJZYON-WUCCLRPBSA-N 2 0 230.355 2.402 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000530207022 323209291 /nfs/dbraw/zinc/20/92/91/323209291.db2.gz CBYNUGFWFDDMGW-JARUQAPTSA-N 2 0 236.403 2.400 10 0 BEAERP CC(C)Cn1ccc([C@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536959556 323972253 /nfs/dbraw/zinc/97/22/53/323972253.db2.gz LFEPYOGVJRVLFL-CQSZACIVSA-N 2 0 247.386 2.158 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000566791088 326082467 /nfs/dbraw/zinc/08/24/67/326082467.db2.gz PJVYFVPQFJADRS-MJBXVCDLSA-N 2 0 222.376 2.320 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000567579840 326221674 /nfs/dbraw/zinc/22/16/74/326221674.db2.gz KLNKPRACJOQONU-SRVKXCTJSA-N 2 0 210.365 2.010 10 0 BEAERP Cc1cnc(CC[NH2+]C2CCC([NH3+])CC2)c(C)c1 ZINC000656200851 488066268 /nfs/dbraw/zinc/06/62/68/488066268.db2.gz SALVDNFARFQWDO-UHFFFAOYSA-N 2 0 247.386 2.100 10 0 BEAERP Cc1cc(NCCC2CC[NH2+]CC2)cc[nH+]1 ZINC000148012090 488080078 /nfs/dbraw/zinc/08/00/78/488080078.db2.gz VQVLQSGSTGPIKW-UHFFFAOYSA-N 2 0 219.332 2.192 10 0 BEAERP Cc1ccc2[nH+]ccc(NC[C@@H](C)[NH3+])c2c1 ZINC000257744913 488088028 /nfs/dbraw/zinc/08/80/28/488088028.db2.gz DOJUGOGPOQSVJU-SNVBAGLBSA-N 2 0 215.300 2.302 10 0 BEAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)C ZINC000227731470 487504692 /nfs/dbraw/zinc/50/46/92/487504692.db2.gz FZWFNVUGOHWPIL-RYUDHWBXSA-N 2 0 200.370 2.336 10 0 BEAERP CCc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)s1 ZINC000225364954 490050883 /nfs/dbraw/zinc/05/08/83/490050883.db2.gz CVUKREVVAWYEDL-SNVBAGLBSA-N 2 0 224.373 2.010 10 0 BEAERP C[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123915566 490269879 /nfs/dbraw/zinc/26/98/79/490269879.db2.gz GUIOVURNPKBSCV-LBPRGKRZSA-N 2 0 230.355 2.174 10 0 BEAERP CC(C)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198137 491085319 /nfs/dbraw/zinc/08/53/19/491085319.db2.gz YSXINIWAHIXMBD-GXTWGEPZSA-N 2 0 224.392 2.495 10 0 BEAERP C(C[N@@H+]1CCC[C@]12CCC[NH2+]C2)C1CCC1 ZINC000757128226 582503337 /nfs/dbraw/zinc/50/33/37/582503337.db2.gz JOBIFEYFMRYXCI-AWEZNQCLSA-N 2 0 222.376 2.395 10 0 BEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141663 582522200 /nfs/dbraw/zinc/52/22/00/582522200.db2.gz PQRGPTKUGIKWPX-TZMCWYRMSA-N 2 0 240.391 2.223 10 0 BEAERP C[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400367999 533721828 /nfs/dbraw/zinc/72/18/28/533721828.db2.gz FVSCFRXPMJCDSD-WOPDTQHZSA-N 2 0 212.381 2.399 10 0 BEAERP C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000400468370 533790373 /nfs/dbraw/zinc/79/03/73/533790373.db2.gz UMKDXEXRUPYDLY-ZMZSECIMSA-N 2 0 248.414 2.399 10 0 BEAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400335421 533974738 /nfs/dbraw/zinc/97/47/38/533974738.db2.gz FFONLLMNIKRLNV-OBJOEFQTSA-N 2 0 218.344 2.335 10 0 BEAERP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261768411 536156070 /nfs/dbraw/zinc/15/60/70/536156070.db2.gz DLYQDRYBNAEEKS-LBPRGKRZSA-N 2 0 248.370 2.038 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400432982 529195459 /nfs/dbraw/zinc/19/54/59/529195459.db2.gz LTCXFXHBGIPDEM-QJPTWQEYSA-N 2 0 230.421 2.106 10 0 BEAERP CC[C@@H]1CCC[N@@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951934 566486793 /nfs/dbraw/zinc/48/67/93/566486793.db2.gz ZJBBRRYOAUXZNT-SDDRHHMPSA-N 2 0 210.365 2.105 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757128043 582502979 /nfs/dbraw/zinc/50/29/79/582502979.db2.gz IOIBDOYHUDMPHC-YPMHNXCESA-N 2 0 208.349 2.003 10 0 BEAERP CC(C)CC[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127977 582503542 /nfs/dbraw/zinc/50/35/42/582503542.db2.gz IKGITYXQIRLARY-UONOGXRCSA-N 2 0 224.392 2.497 10 0 BEAERP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757219506 582563505 /nfs/dbraw/zinc/56/35/05/582563505.db2.gz XFTVCJFRIOVICJ-FZMZJTMJSA-N 2 0 229.327 2.167 10 0 BEAERP C[C@@H]1CC[C@]2(CCC[N@@H+]2CCC2CC2)C[NH2+]1 ZINC000757129694 586426444 /nfs/dbraw/zinc/42/64/44/586426444.db2.gz MSXUDPRIDMHTGJ-TZMCWYRMSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@@H]1CCC[NH2+][C@H]1c1ccc(C[NH3+])cc1 ZINC000757209469 586438488 /nfs/dbraw/zinc/43/84/88/586438488.db2.gz FHFKYYCWQMTLJJ-ZWNOBZJWSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@H]1CCC[NH2+][C@H]1c1ccc(C[NH3+])cc1 ZINC000757209466 586438569 /nfs/dbraw/zinc/43/85/69/586438569.db2.gz FHFKYYCWQMTLJJ-GXFFZTMASA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CCC[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757211778 586438789 /nfs/dbraw/zinc/43/87/89/586438789.db2.gz ITWIEAVZCINGCT-ZWNOBZJWSA-N 2 0 204.317 2.348 10 0 BEAERP C[C@@H]1CC[C@H](c2ccc(C[NH3+])cc2)[NH2+]C1 ZINC000757216754 586441037 /nfs/dbraw/zinc/44/10/37/586441037.db2.gz QOKMVGYXROYDNK-ZWNOBZJWSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@H]1CC[NH2+][C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216512 586441129 /nfs/dbraw/zinc/44/11/29/586441129.db2.gz QAIMKJKSEOXSTN-GXFFZTMASA-N 2 0 204.317 2.206 10 0 BEAERP CC(=O)c1cccc([C@@H]2CC[C@H](CC[NH3+])C[NH2+]2)c1 ZINC000757217303 586441652 /nfs/dbraw/zinc/44/16/52/586441652.db2.gz RRNBYVOAYBYLNE-DOMZBBRYSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@@H]1CCC[NH2+][C@H]1c1cccc(C[NH3+])c1 ZINC000757217751 586441730 /nfs/dbraw/zinc/44/17/30/586441730.db2.gz SDYNUDAYVFKHHV-ZWNOBZJWSA-N 2 0 204.317 2.206 10 0 BEAERP CC1(c2ccc([C@H]3C[NH2+]C[C@H]([NH3+])C3)cc2)CC1 ZINC000757219361 586442337 /nfs/dbraw/zinc/44/23/37/586442337.db2.gz WXHSQQWXRJKALL-TZMCWYRMSA-N 2 0 230.355 2.142 10 0 BEAERP [NH3+]C[C@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220406 586442416 /nfs/dbraw/zinc/44/24/16/586442416.db2.gz YYVNISUQRPKWES-ZWNOBZJWSA-N 2 0 229.327 2.167 10 0 BEAERP C[C@@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)C1 ZINC000757220870 586442924 /nfs/dbraw/zinc/44/29/24/586442924.db2.gz ZTGDPDUYTUYCTF-MFKMUULPSA-N 2 0 204.317 2.206 10 0 BEAERP [NH3+]Cc1cc([C@@H]2CCC[NH2+]C2)ccc1C1CC1 ZINC000757233069 586443345 /nfs/dbraw/zinc/44/33/45/586443345.db2.gz JNAKEMNQVRUDIZ-CYBMUJFWSA-N 2 0 230.355 2.490 10 0 BEAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757237014 586443602 /nfs/dbraw/zinc/44/36/02/586443602.db2.gz PCLCTBSNIHTMNJ-HTQZYQBOSA-N 2 0 246.326 2.338 10 0 BEAERP c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651138 592148269 /nfs/dbraw/zinc/14/82/69/592148269.db2.gz QBSGTAUPVKFANE-HOTGVXAUSA-N 2 0 244.382 2.446 10 0 BEAERP [NH3+]CC[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000125501245 634520059 /nfs/dbraw/zinc/52/00/59/634520059.db2.gz GVPSWGQXNRRVAO-GFCCVEGCSA-N 2 0 241.338 2.410 10 0 BEAERP C[C@@H](C[NH2+][C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000062079013 631647000 /nfs/dbraw/zinc/64/70/00/631647000.db2.gz JRWFQDPMHWKQJJ-STQMWFEESA-N 2 0 242.432 2.204 10 0 BEAERP CC1CCC(C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000309447621 633081517 /nfs/dbraw/zinc/08/15/17/633081517.db2.gz NJYHOOIQNCDLJG-RUXDESIVSA-N 2 0 224.392 2.483 10 0 BEAERP CC(C)C[N@H+](CCC[NH2+]C1CC1)C(C)C ZINC000042590311 641556390 /nfs/dbraw/zinc/55/63/90/641556390.db2.gz ZWQNVUPUKWWWRR-UHFFFAOYSA-N 2 0 212.381 2.495 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132744 643259148 /nfs/dbraw/zinc/25/91/48/643259148.db2.gz RRODXZYTRSHGBL-FRRDWIJNSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757135976 643276210 /nfs/dbraw/zinc/27/62/10/643276210.db2.gz XACUXOUIISFKRV-WCQYABFASA-N 2 0 208.349 2.003 10 0 BEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2ccsc2)[NH2+]1 ZINC000757211263 643370034 /nfs/dbraw/zinc/37/00/34/643370034.db2.gz HIVRUVMWSWVILO-LUTQBAROSA-N 2 0 224.373 2.382 10 0 BEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2ccsc2)[NH2+]1 ZINC000757211261 643370367 /nfs/dbraw/zinc/37/03/67/643370367.db2.gz HIVRUVMWSWVILO-BSJXLVFVSA-N 2 0 224.373 2.382 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@@H]2C ZINC000685952966 644518819 /nfs/dbraw/zinc/51/88/19/644518819.db2.gz DLXASSDQAPWPNV-AVGNSLFASA-N 2 0 210.365 2.378 10 0 BEAERP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000701984821 712034279 /nfs/dbraw/zinc/03/42/79/712034279.db2.gz KGFBHQGEMGDADL-DGCLKSJQSA-N 2 0 210.365 2.154 10 0 BEAERP CCC1([NH3+])CC[NH+](C2CCC(OC)CC2)CC1 ZINC000714750261 712496727 /nfs/dbraw/zinc/49/67/27/712496727.db2.gz OECPNFHFTMBGFB-UHFFFAOYSA-N 2 0 240.391 2.147 10 0 BEAERP C[C@H](CC[NH+](C)C)[NH2+]CCc1ccccc1 ZINC000049551894 711448891 /nfs/dbraw/zinc/44/88/91/711448891.db2.gz ZTYDGSZZTHVAGI-CYBMUJFWSA-N 2 0 220.360 2.159 10 0 BEAERP C1=CCC(CC[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000724200130 711569044 /nfs/dbraw/zinc/56/90/44/711569044.db2.gz LDLHNNYBDZFQTH-ZDUSSCGKSA-N 2 0 208.349 2.074 10 0 BEAERP CC[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231832 711691637 /nfs/dbraw/zinc/69/16/37/711691637.db2.gz BKOKHDKCWOHQRU-NDBYEHHHSA-N 2 0 210.365 2.377 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000134201279 711882569 /nfs/dbraw/zinc/88/25/69/711882569.db2.gz QEQLTEPAJONUCC-NDBYEHHHSA-N 2 0 210.365 2.105 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000701944820 712033052 /nfs/dbraw/zinc/03/30/52/712033052.db2.gz ORSIXGPZDCYDSJ-DMDPSCGWSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000701944822 712033101 /nfs/dbraw/zinc/03/31/01/712033101.db2.gz ORSIXGPZDCYDSJ-GVXVVHGQSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000701944823 712033267 /nfs/dbraw/zinc/03/32/67/712033267.db2.gz ORSIXGPZDCYDSJ-LOWVWBTDSA-N 2 0 210.365 2.010 10 0 BEAERP CC1(C)CC[C@@H](C[NH2+]C2CCC([NH3+])CC2)OC1 ZINC000711390752 712297282 /nfs/dbraw/zinc/29/72/82/712297282.db2.gz NMIRLWGQGMSFOH-BPCQOVAHSA-N 2 0 240.391 2.051 10 0 BEAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 ZINC000714753335 712497313 /nfs/dbraw/zinc/49/73/13/712497313.db2.gz KDWXXBGMQTYUOP-VXGBXAGGSA-N 2 0 210.365 2.378 10 0 BEAERP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000714868821 712502289 /nfs/dbraw/zinc/50/22/89/712502289.db2.gz YJSUPEYZVFHKRU-ILXRZTDVSA-N 2 0 236.403 2.497 10 0 BEAERP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000716544816 712567512 /nfs/dbraw/zinc/56/75/12/712567512.db2.gz IHWHUQJJWQZXSN-LPBRGKHYSA-N 2 0 222.376 2.138 10 0 BEAERP Cc1cc[nH+]c(NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000717008081 712604268 /nfs/dbraw/zinc/60/42/68/712604268.db2.gz BHNPRIOGBRYNHW-JTQLQIEISA-N 2 0 241.285 2.047 10 0 BEAERP Cc1cccc(NC[C@H]2C[NH2+]CCC2(F)F)[nH+]1 ZINC000717016965 712604677 /nfs/dbraw/zinc/60/46/77/712604677.db2.gz XFASWNCQNRWSFF-SNVBAGLBSA-N 2 0 241.285 2.047 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000717053936 712625794 /nfs/dbraw/zinc/62/57/94/712625794.db2.gz VYNYZMYVESWFRF-SBJFKYEJSA-N 2 0 236.403 2.400 10 0 BEAERP CC1(C[NH2+]C2CCC([NH3+])CC2)CC(F)(F)C1 ZINC000720914162 712877867 /nfs/dbraw/zinc/87/78/67/712877867.db2.gz ZKUTVSHDICAAAK-UHFFFAOYSA-N 2 0 232.318 2.281 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685953531 538898005 /nfs/dbraw/zinc/89/80/05/538898005.db2.gz IGFFGXGJIJTBKY-WCQYABFASA-N 2 0 210.365 2.378 10 0 BEAERP CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000685955249 538900373 /nfs/dbraw/zinc/90/03/73/538900373.db2.gz WUIIPRXCKGSHRG-CPCZMJQVSA-N 2 0 210.365 2.378 10 0 BEAERP c1c[nH]c([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616611801 349462465 /nfs/dbraw/zinc/46/24/65/349462465.db2.gz RPNLQWCUFVHIAL-CYBMUJFWSA-N 2 0 227.311 2.399 10 0 BEAERP CC(C)[N@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911953 349495972 /nfs/dbraw/zinc/49/59/72/349495972.db2.gz VOSYLBGQTHDAQA-CYBMUJFWSA-N 2 0 210.365 2.106 10 0 BEAERP Cc1cc(C[NH2+]C2CCC([NH3+])CC2)cc(C)c1O ZINC000051692746 178019411 /nfs/dbraw/zinc/01/94/11/178019411.db2.gz FLAUDUDWMMVBNF-UHFFFAOYSA-N 2 0 248.370 2.369 10 0 BEAERP C[N@H+](CCC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381689379 398254872 /nfs/dbraw/zinc/25/48/72/398254872.db2.gz NHWLWOLIZPDACR-JTQLQIEISA-N 2 0 220.307 2.093 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381596802 398265852 /nfs/dbraw/zinc/26/58/52/398265852.db2.gz FPLNFIPFJYBLPA-NWDGAFQWSA-N 2 0 246.345 2.353 10 0 BEAERP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690695 398269667 /nfs/dbraw/zinc/26/96/67/398269667.db2.gz NKWPOQMYGBDPDQ-RYUDHWBXSA-N 2 0 246.345 2.483 10 0 BEAERP CCC(CC)[N@H+](CCOC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042614301 168376536 /nfs/dbraw/zinc/37/65/36/168376536.db2.gz SWVKIXRJQYQQKB-TZMCWYRMSA-N 2 0 242.407 2.251 10 0 BEAERP CCC(CC)[NH2+]C[C@H](C)N(CCOC)C1CC1 ZINC000053496512 168388229 /nfs/dbraw/zinc/38/82/29/168388229.db2.gz UUYRADGNHXDJGP-LBPRGKRZSA-N 2 0 242.407 2.264 10 0 BEAERP CCN1C[C@@H](C)[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648786 539005999 /nfs/dbraw/zinc/00/59/99/539005999.db2.gz CMJPDNRANLASLN-BLYZHGLHSA-N 2 0 224.392 2.351 10 0 BEAERP CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000390433699 539021700 /nfs/dbraw/zinc/02/17/00/539021700.db2.gz QXOGSGYFGZDBJM-BFHYXJOUSA-N 2 0 224.392 2.495 10 0 BEAERP CC(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000168 398335703 /nfs/dbraw/zinc/33/57/03/398335703.db2.gz CHFWAZGVJCVBOG-KBPBESRZSA-N 2 0 224.392 2.497 10 0 BEAERP CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361863 529584884 /nfs/dbraw/zinc/58/48/84/529584884.db2.gz NXVSNTISVZKCFV-GXTWGEPZSA-N 2 0 232.371 2.337 10 0 BEAERP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400354138 529683448 /nfs/dbraw/zinc/68/34/48/529683448.db2.gz LLFIVJPLOPJULY-ZDEQEGDKSA-N 2 0 212.381 2.399 10 0 BEAERP CCC[C@@H](C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000051321023 343255566 /nfs/dbraw/zinc/25/55/66/343255566.db2.gz WSRRIGVXPOEXAZ-GFCCVEGCSA-N 2 0 212.381 2.483 10 0 BEAERP CC(C)[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC000168686500 343619118 /nfs/dbraw/zinc/61/91/18/343619118.db2.gz HRTRWQNFWISBIG-UHFFFAOYSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@@H]1[C@@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409431598 343824037 /nfs/dbraw/zinc/82/40/37/343824037.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 2 0 230.355 2.069 10 0 BEAERP [NH3+]C[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000616574799 344189043 /nfs/dbraw/zinc/18/90/43/344189043.db2.gz YHPAGVSVNBAPRL-RBSFLKMASA-N 2 0 230.355 2.103 10 0 BEAERP CCSCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133778454 344321903 /nfs/dbraw/zinc/32/19/03/344321903.db2.gz QOFXLVKKIMIDSI-NWDGAFQWSA-N 2 0 230.421 2.250 10 0 BEAERP CCSCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133778679 344322076 /nfs/dbraw/zinc/32/20/76/344322076.db2.gz QOFXLVKKIMIDSI-NEPJUHHUSA-N 2 0 230.421 2.250 10 0 BEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400338060 344494578 /nfs/dbraw/zinc/49/45/78/344494578.db2.gz DUSOGIQJSVDFEE-NEPJUHHUSA-N 2 0 212.381 2.400 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000390097911 259380548 /nfs/dbraw/zinc/38/05/48/259380548.db2.gz NNBDPDOSXYUTFM-YRGRVCCFSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000634998092 345197345 /nfs/dbraw/zinc/19/73/45/345197345.db2.gz ANHCOFUNYRDIIL-RYUDHWBXSA-N 2 0 244.338 2.459 10 0 BEAERP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1F ZINC000634998867 345199058 /nfs/dbraw/zinc/19/90/58/345199058.db2.gz LZPQSPUSFSCADX-AAEUAGOBSA-N 2 0 236.334 2.161 10 0 BEAERP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1F ZINC000634998870 345199337 /nfs/dbraw/zinc/19/93/37/345199337.db2.gz LZPQSPUSFSCADX-YPMHNXCESA-N 2 0 236.334 2.161 10 0 BEAERP Cc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000634999872 345201159 /nfs/dbraw/zinc/20/11/59/345201159.db2.gz BKPQJXSXFCFNIB-WFASDCNBSA-N 2 0 232.371 2.330 10 0 BEAERP Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000634999869 345201343 /nfs/dbraw/zinc/20/13/43/345201343.db2.gz BKPQJXSXFCFNIB-DOMZBBRYSA-N 2 0 232.371 2.330 10 0 BEAERP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC000634998034 345202833 /nfs/dbraw/zinc/20/28/33/345202833.db2.gz ZHZYUFMZEFIQQX-XQQFMLRXSA-N 2 0 222.376 2.297 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccccn1 ZINC000257352453 345773522 /nfs/dbraw/zinc/77/35/22/345773522.db2.gz LKAWIXXLVZSGCR-SRVKXCTJSA-N 2 0 219.332 2.002 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000257351100 345773913 /nfs/dbraw/zinc/77/39/13/345773913.db2.gz CCEBVNAQRAWHIX-OPRDCNLKSA-N 2 0 225.361 2.064 10 0 BEAERP C[C@@H]1CCCn2cc(C3CC[NH2+]CC3)nc21 ZINC000258106296 345780240 /nfs/dbraw/zinc/78/02/40/345780240.db2.gz CAHKJVONULZMSY-SNVBAGLBSA-N 2 0 219.332 2.247 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000252733199 537980730 /nfs/dbraw/zinc/98/07/30/537980730.db2.gz YIJPKISTBKGKOQ-BNOWGMLFSA-N 2 0 224.392 2.495 10 0 BEAERP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH3+] ZINC000037713325 346705726 /nfs/dbraw/zinc/70/57/26/346705726.db2.gz LQQOLWLHLFYCSQ-NSHDSACASA-N 2 0 222.332 2.085 10 0 BEAERP CCC[N@H+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380152 537986009 /nfs/dbraw/zinc/98/60/09/537986009.db2.gz RRWKMHGAMXSMSY-UHFFFAOYSA-N 2 0 228.286 2.265 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2CCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000393823505 259393960 /nfs/dbraw/zinc/39/39/60/259393960.db2.gz KYSCAUHUBSMUGX-YRGRVCCFSA-N 2 0 224.392 2.482 10 0 BEAERP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484585 179281825 /nfs/dbraw/zinc/28/18/25/179281825.db2.gz IXMGXTWWTYCGOK-ZDUSSCGKSA-N 2 0 218.344 2.036 10 0 BEAERP Cc1ccccc1[C@@H]([NH3+])CC[NH+]1CCCC1 ZINC000054015482 179324422 /nfs/dbraw/zinc/32/44/22/179324422.db2.gz FZOSWAIUZUOZNA-AWEZNQCLSA-N 2 0 218.344 2.481 10 0 BEAERP [NH3+]CCCCC[NH+]1CC2CCC(CC2)C1 ZINC000196901424 348059214 /nfs/dbraw/zinc/05/92/14/348059214.db2.gz HXOYHANBYGVOBG-UHFFFAOYSA-N 2 0 210.365 2.237 10 0 BEAERP COc1ccc([C@H]([NH2+]CCCC[NH3+])C2CC2)cc1 ZINC000037715485 187392819 /nfs/dbraw/zinc/39/28/19/187392819.db2.gz KKVNRKSAVUAXGX-OAHLLOKOSA-N 2 0 248.370 2.475 10 0 BEAERP CCSC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000596653574 348606973 /nfs/dbraw/zinc/60/69/73/348606973.db2.gz VOSXRSJQASIYTD-RYUDHWBXSA-N 2 0 242.432 2.250 10 0 BEAERP COc1ccc([C@H](CCC[NH3+])[NH+](C)C)cc1 ZINC000019673871 187417307 /nfs/dbraw/zinc/41/73/07/187417307.db2.gz JUQACEGPOCERKX-ZDUSSCGKSA-N 2 0 222.332 2.037 10 0 BEAERP CC1CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000108323290 538076199 /nfs/dbraw/zinc/07/61/99/538076199.db2.gz JZNNASHMJISQAR-STQMWFEESA-N 2 0 210.365 2.236 10 0 BEAERP C1CC1[N@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC000409433740 350472848 /nfs/dbraw/zinc/47/28/48/350472848.db2.gz NIFYYIAFNRBBND-UHFFFAOYSA-N 2 0 240.416 2.098 10 0 BEAERP CC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911257 350563114 /nfs/dbraw/zinc/56/31/14/350563114.db2.gz JQYHFVFSXOIBRJ-CHWSQXEVSA-N 2 0 210.365 2.108 10 0 BEAERP C[NH+](C)[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000606304071 351560051 /nfs/dbraw/zinc/56/00/51/351560051.db2.gz NGMVPAQWEPDLCT-JHJVBQTASA-N 2 0 210.365 2.249 10 0 BEAERP C[NH+](C)[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304070 351560122 /nfs/dbraw/zinc/56/01/22/351560122.db2.gz NGMVPAQWEPDLCT-FRRDWIJNSA-N 2 0 210.365 2.249 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000252733200 538101454 /nfs/dbraw/zinc/10/14/54/538101454.db2.gz YIJPKISTBKGKOQ-MRVWCRGKSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@@H]1C[NH2+]CC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000307384500 352511922 /nfs/dbraw/zinc/51/19/22/352511922.db2.gz ITVSTUGUEOABOT-TZMCWYRMSA-N 2 0 218.344 2.116 10 0 BEAERP C[C@@H]1CCC[C@H](C2=CC[C@](C)([NH3+])CC2)[NH2+]1 ZINC000725273176 538104514 /nfs/dbraw/zinc/10/45/14/538104514.db2.gz WRCYSXCVGVYPSH-RTXFEEFZSA-N 2 0 208.349 2.345 10 0 BEAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000036128516 188112716 /nfs/dbraw/zinc/11/27/16/188112716.db2.gz YXJCYPRWGDVFRQ-ZIAGYGMSSA-N 2 0 233.359 2.346 10 0 BEAERP C[NH2+]Cc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000052484352 188126283 /nfs/dbraw/zinc/12/62/83/188126283.db2.gz FOBZXQIWCXYSGN-GFCCVEGCSA-N 2 0 218.344 2.248 10 0 BEAERP Cc1[nH+]ccc(NCCC[NH2+]C(C)C)c1Cl ZINC000563694688 353250364 /nfs/dbraw/zinc/25/03/64/353250364.db2.gz KPCLSEDFHXJPGV-UHFFFAOYSA-N 2 0 241.766 2.265 10 0 BEAERP CC(C)N(CC1CC1)[C@H]1CCCC[NH2+]C1 ZINC000054135473 188176417 /nfs/dbraw/zinc/17/64/17/188176417.db2.gz DKJDPFGWKMORTN-ZDUSSCGKSA-N 2 0 210.365 2.249 10 0 BEAERP CCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713277 358476682 /nfs/dbraw/zinc/47/66/82/358476682.db2.gz ACGYDNOMESKALD-NSHDSACASA-N 2 0 222.332 2.085 10 0 BEAERP C=COCCC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037221602 188468907 /nfs/dbraw/zinc/46/89/07/188468907.db2.gz RMRXXJADXAFYLB-ZDUSSCGKSA-N 2 0 240.391 2.247 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405531347 353795738 /nfs/dbraw/zinc/79/57/38/353795738.db2.gz YGWVVJKRVGTKKO-CHWSQXEVSA-N 2 0 218.344 2.244 10 0 BEAERP CC(C)[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000053660452 188526001 /nfs/dbraw/zinc/52/60/01/188526001.db2.gz MESVAEWPHHUMOK-UHFFFAOYSA-N 2 0 212.381 2.495 10 0 BEAERP CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577946805 366124164 /nfs/dbraw/zinc/12/41/64/366124164.db2.gz SZKYAEAMMQCVBG-UPJWGTAASA-N 2 0 212.381 2.256 10 0 BEAERP NC(=[NH2+])c1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000019518930 181193872 /nfs/dbraw/zinc/19/38/72/181193872.db2.gz LKRVWHMSUOVDKA-UHFFFAOYSA-N 2 0 249.333 2.486 10 0 BEAERP [NH2+]=C(c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062994112 181206936 /nfs/dbraw/zinc/20/69/36/181206936.db2.gz DRBYPAWQFIAYAL-CQSZACIVSA-N 2 0 243.354 2.182 10 0 BEAERP Cc1cccc([C@H](C[NH3+])C[NH2+]C(C)C)c1 ZINC000685949602 538893000 /nfs/dbraw/zinc/89/30/00/538893000.db2.gz UUDPMNBIWXQVOM-CYBMUJFWSA-N 2 0 206.333 2.035 10 0 BEAERP C[C@@H]1CCC[C@H](C2=CC[C@@]3(C[C@@H]3[NH3+])CC2)[NH2+]1 ZINC000685950413 538893757 /nfs/dbraw/zinc/89/37/57/538893757.db2.gz PEUCOYPEMMRCHQ-ZZVYKPCYSA-N 2 0 220.360 2.345 10 0 BEAERP CCC[NH+](CCC)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951745 538895345 /nfs/dbraw/zinc/89/53/45/538895345.db2.gz XDLYRNYKXPXRDD-RYUDHWBXSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCC2(CCC2)C1 ZINC000685951657 538895393 /nfs/dbraw/zinc/89/53/93/538895393.db2.gz VHIJIINIUUZUBS-RYUDHWBXSA-N 2 0 222.376 2.106 10 0 BEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccs1 ZINC000234697889 357822542 /nfs/dbraw/zinc/82/25/42/357822542.db2.gz QAQFKQIVAZZXHP-MNOVXSKESA-N 2 0 242.388 2.153 10 0 BEAERP COC[C@H](C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000133060758 325263887 /nfs/dbraw/zinc/26/38/87/325263887.db2.gz YWCIIBJJNZHWAI-KGLIPLIRSA-N 2 0 242.407 2.075 10 0 BEAERP CC[C@@H]1CC[C@H](CC[N@H+](C)CC)[NH+](C)C1 ZINC000584627570 358297447 /nfs/dbraw/zinc/29/74/47/358297447.db2.gz XWUGWNNMONIIBW-CHWSQXEVSA-N 2 0 212.381 2.449 10 0 BEAERP CC[N@@H+]1CCC[C@H](Nc2cc(C)ccn2)C1 ZINC000043561577 358539929 /nfs/dbraw/zinc/53/99/29/358539929.db2.gz YHSJDRKIGFCHLR-LBPRGKRZSA-N 2 0 219.332 2.286 10 0 BEAERP CC[N@@H+]1CCC[C@@H](Nc2cc(C)ccn2)C1 ZINC000043561578 358540237 /nfs/dbraw/zinc/54/02/37/358540237.db2.gz YHSJDRKIGFCHLR-GFCCVEGCSA-N 2 0 219.332 2.286 10 0 BEAERP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132041546 358705866 /nfs/dbraw/zinc/70/58/66/358705866.db2.gz FJYHVTRNMJTIEA-UGFHNGPFSA-N 2 0 248.370 2.128 10 0 BEAERP CC(C)(C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604584 360263270 /nfs/dbraw/zinc/26/32/70/360263270.db2.gz DONPZKFWCABRAB-CYBMUJFWSA-N 2 0 224.392 2.450 10 0 BEAERP Cc1ccsc1[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C ZINC000069796099 360556950 /nfs/dbraw/zinc/55/69/50/360556950.db2.gz TYFSIFPOEJGSAA-ZJUUUORDSA-N 2 0 210.346 2.008 10 0 BEAERP Cc1ccsc1[C@@H]1[C@H](C[NH3+])CC[N@H+]1C ZINC000069796095 360557155 /nfs/dbraw/zinc/55/71/55/360557155.db2.gz TYFSIFPOEJGSAA-UWVGGRQHSA-N 2 0 210.346 2.008 10 0 BEAERP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)OCC ZINC000629515048 361112405 /nfs/dbraw/zinc/11/24/05/361112405.db2.gz PUXIVXGGIWHSRQ-MELADBBJSA-N 2 0 242.407 2.169 10 0 BEAERP CCc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074081397 541313233 /nfs/dbraw/zinc/31/32/33/541313233.db2.gz SWQJKRNHSDZRRR-KBPBESRZSA-N 2 0 218.344 2.343 10 0 BEAERP NCC1([NH+]2CCCCCC2)CCSCC1 ZINC000042334912 181360157 /nfs/dbraw/zinc/36/01/57/181360157.db2.gz CARASQWANALWEE-UHFFFAOYSA-N 2 0 228.405 2.087 10 0 BEAERP C[N@H+](CCC[NH2+]C1CC1)C1CCCCC1 ZINC000037478503 541376896 /nfs/dbraw/zinc/37/68/96/541376896.db2.gz LVPGZRBGUKUDEO-UHFFFAOYSA-N 2 0 210.365 2.393 10 0 BEAERP CC[N@H+](CC(C)C)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675054243 541433679 /nfs/dbraw/zinc/43/36/79/541433679.db2.gz QSRQVWXHDYTODZ-QWHCGFSZSA-N 2 0 212.381 2.482 10 0 BEAERP [NH3+]CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000037713432 181383800 /nfs/dbraw/zinc/38/38/00/181383800.db2.gz YINKCIYYJCUMQI-ZDUSSCGKSA-N 2 0 204.317 2.002 10 0 BEAERP C[C@@H]1C[C@@H]([N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000675056248 541462490 /nfs/dbraw/zinc/46/24/90/541462490.db2.gz NBIOJMORQJJEIV-NDBYEHHHSA-N 2 0 210.365 2.390 10 0 BEAERP CC(C)[NH+](C(C)C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080597 541468164 /nfs/dbraw/zinc/46/81/64/541468164.db2.gz SSDSNPVWNIEBCY-STQMWFEESA-N 2 0 240.391 2.002 10 0 BEAERP CC(C)[NH+](C(C)C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080592 541468243 /nfs/dbraw/zinc/46/82/43/541468243.db2.gz SSDSNPVWNIEBCY-CHWSQXEVSA-N 2 0 240.391 2.002 10 0 BEAERP C[C@H](c1ccoc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380751963 367297006 /nfs/dbraw/zinc/29/70/06/367297006.db2.gz UGDHCERFZZKDDA-NQBHXWOUSA-N 2 0 222.332 2.257 10 0 BEAERP C[C@H]1C[N@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000631836730 369088968 /nfs/dbraw/zinc/08/89/68/369088968.db2.gz FZKXJWXTONATET-WCQYABFASA-N 2 0 210.365 2.093 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000631837314 369096133 /nfs/dbraw/zinc/09/61/33/369096133.db2.gz QSJAIXGKHHEXPK-CRWXNKLISA-N 2 0 224.392 2.339 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000631837282 369096765 /nfs/dbraw/zinc/09/67/65/369096765.db2.gz QPGYCBVYQTXIHP-HIFRSBDPSA-N 2 0 232.371 2.330 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000631837821 369104133 /nfs/dbraw/zinc/10/41/33/369104133.db2.gz XLUNVEKWODRWFX-WOPDTQHZSA-N 2 0 246.345 2.339 10 0 BEAERP CSCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133733106 372097527 /nfs/dbraw/zinc/09/75/27/372097527.db2.gz MZTYXXIOSHABRA-GFCCVEGCSA-N 2 0 244.448 2.450 10 0 BEAERP CSCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133732920 372097927 /nfs/dbraw/zinc/09/79/27/372097927.db2.gz MZTYXXIOSHABRA-LBPRGKRZSA-N 2 0 244.448 2.450 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837982 372630204 /nfs/dbraw/zinc/63/02/04/372630204.db2.gz YLUVTZHTSBIQDK-NWDGAFQWSA-N 2 0 212.381 2.339 10 0 BEAERP CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839059 372633161 /nfs/dbraw/zinc/63/31/61/372633161.db2.gz ZJCXDUNNDPNVOU-DOMZBBRYSA-N 2 0 232.371 2.276 10 0 BEAERP CC(C)C[C@H](C)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838930 372634327 /nfs/dbraw/zinc/63/43/27/372634327.db2.gz XFNPIURGBFOAOT-AVGNSLFASA-N 2 0 212.381 2.195 10 0 BEAERP Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842735 372641458 /nfs/dbraw/zinc/64/14/58/372641458.db2.gz FBSGSNLGATZWEH-HIFRSBDPSA-N 2 0 232.371 2.330 10 0 BEAERP Cc1ccc(C)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842737 372641559 /nfs/dbraw/zinc/64/15/59/372641559.db2.gz FBSGSNLGATZWEH-ZFWWWQNUSA-N 2 0 232.371 2.330 10 0 BEAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843890 372641635 /nfs/dbraw/zinc/64/16/35/372641635.db2.gz SYWXCOLVSSPUKJ-OCCSQVGLSA-N 2 0 218.344 2.022 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631845163 372643821 /nfs/dbraw/zinc/64/38/21/372643821.db2.gz UVCIDVCTSUUJOK-PWSUYJOCSA-N 2 0 238.762 2.367 10 0 BEAERP CCC[NH2+]CCN1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225524 373198400 /nfs/dbraw/zinc/19/84/00/373198400.db2.gz XJJYIGYEJPSVBJ-KBPBESRZSA-N 2 0 224.392 2.498 10 0 BEAERP CCC[NH+](C)CC(C)C[N@@H+](C)CCC ZINC000124146362 169076402 /nfs/dbraw/zinc/07/64/02/169076402.db2.gz PWLBAENOSFZKPT-UHFFFAOYSA-N 2 0 200.370 2.306 10 0 BEAERP CCC[NH+](CCC)CCNCC[NH+](CC)CC ZINC000053344898 169147158 /nfs/dbraw/zinc/14/71/58/169147158.db2.gz IVDQUOICJWEPIY-UHFFFAOYSA-N 2 0 243.439 2.040 10 0 BEAERP CCCN(CC[NH+](C)C)C(=[NH2+])Nc1ccccc1 ZINC000103532254 169155532 /nfs/dbraw/zinc/15/55/32/169155532.db2.gz UAHPQBXZQALGNR-UHFFFAOYSA-N 2 0 248.374 2.307 10 0 BEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCOC)CC1 ZINC000122792505 169186948 /nfs/dbraw/zinc/18/69/48/169186948.db2.gz ISRJBPGKOHHTMV-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000053660715 169187315 /nfs/dbraw/zinc/18/73/15/169187315.db2.gz PVLDVIRZMUEOCV-UHFFFAOYSA-N 2 0 212.381 2.354 10 0 BEAERP CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000068590731 169191696 /nfs/dbraw/zinc/19/16/96/169191696.db2.gz VQBZYKSDBIFFKV-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP c1cc(C[NH+]2CCCC2)oc1C[NH2+]C1CC1 ZINC000045205593 183340134 /nfs/dbraw/zinc/34/01/34/183340134.db2.gz CXQDIPYUKHBFNB-UHFFFAOYSA-N 2 0 220.316 2.127 10 0 BEAERP CCC[NH2+]CC[C@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000052511166 169261583 /nfs/dbraw/zinc/26/15/83/169261583.db2.gz OPPAWWQIQVFXDU-KBPBESRZSA-N 2 0 242.407 2.266 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@H+](CCCOCC)[C@H](C)C1 ZINC000049709349 169282087 /nfs/dbraw/zinc/28/20/87/169282087.db2.gz CYBQGQGIKMZQLS-ZIAGYGMSSA-N 2 0 242.407 2.266 10 0 BEAERP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000042420633 169311784 /nfs/dbraw/zinc/31/17/84/169311784.db2.gz GBVVFMRPWMGPGV-MGPQQGTHSA-N 2 0 240.391 2.005 10 0 BEAERP CCCO[C@H]1CCC[N@@H+](C(CC)(CC)C[NH3+])C1 ZINC000042421329 169312024 /nfs/dbraw/zinc/31/20/24/169312024.db2.gz NOCCAVWTSVGKHS-ZDUSSCGKSA-N 2 0 242.407 2.395 10 0 BEAERP c1ccc2c(NC3CC[NH2+]CC3)cc[nH+]c2c1 ZINC000041721380 183439377 /nfs/dbraw/zinc/43/93/77/183439377.db2.gz KUTVBITUABDOKB-UHFFFAOYSA-N 2 0 227.311 2.399 10 0 BEAERP CCC[C@@H](C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000038097994 169358898 /nfs/dbraw/zinc/35/88/98/169358898.db2.gz WCPRWZNPJOCPQU-GFCCVEGCSA-N 2 0 212.381 2.497 10 0 BEAERP CCC[C@@H]([NH3+])CN1CCc2sccc2C1 ZINC000036873513 169393112 /nfs/dbraw/zinc/39/31/12/169393112.db2.gz FJLAAAPAHRIPOD-LLVKDONJSA-N 2 0 224.373 2.234 10 0 BEAERP CCC[C@@H]([NH3+])[C@H](CC)N(C)Cc1ccncc1 ZINC000036775873 169393341 /nfs/dbraw/zinc/39/33/41/169393341.db2.gz YTTAZIZEWKPKHJ-KGLIPLIRSA-N 2 0 235.375 2.419 10 0 BEAERP CCC[C@@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000037713429 169399271 /nfs/dbraw/zinc/39/92/71/169399271.db2.gz QGCDOKFQVDKOGJ-CYBMUJFWSA-N 2 0 206.333 2.466 10 0 BEAERP C[C@H](C1CCCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309393243 383935858 /nfs/dbraw/zinc/93/58/58/383935858.db2.gz FTRYXAJNDOYYPX-YRGRVCCFSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000569454016 384058389 /nfs/dbraw/zinc/05/83/89/384058389.db2.gz UMLJXZNJUJYHAH-ZUWCUPBKSA-N 2 0 222.376 2.153 10 0 BEAERP C[NH2+]Cc1cccc(C2CC[NH+](C)CC2)c1 ZINC000039109956 384105979 /nfs/dbraw/zinc/10/59/79/384105979.db2.gz HDORIWOPZVGWIS-UHFFFAOYSA-N 2 0 218.344 2.215 10 0 BEAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC1(C)C ZINC000308802842 384299197 /nfs/dbraw/zinc/29/91/97/384299197.db2.gz LLUQIVMIYWFLIV-LLVKDONJSA-N 2 0 212.381 2.352 10 0 BEAERP Cc1[nH+]ccc(N[C@H]2CC[C@H](C[NH3+])C2)c1Cl ZINC000335583468 384348534 /nfs/dbraw/zinc/34/85/34/384348534.db2.gz ZCMFVEXFERTFNQ-UWVGGRQHSA-N 2 0 239.750 2.005 10 0 BEAERP Cc1[nH+]ccc(N[C@H]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000335583470 384350204 /nfs/dbraw/zinc/35/02/04/384350204.db2.gz ZCMFVEXFERTFNQ-ZJUUUORDSA-N 2 0 239.750 2.005 10 0 BEAERP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(C)C)C2 ZINC000150971483 384524321 /nfs/dbraw/zinc/52/43/21/384524321.db2.gz HQYQECNAJVFHOE-RYUDHWBXSA-N 2 0 221.348 2.140 10 0 BEAERP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(C)C)C2 ZINC000150971637 384524590 /nfs/dbraw/zinc/52/45/90/384524590.db2.gz HQYQECNAJVFHOE-VXGBXAGGSA-N 2 0 221.348 2.140 10 0 BEAERP CC1(C)C[C@H]([NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000258799030 384670953 /nfs/dbraw/zinc/67/09/53/384670953.db2.gz SLFMJWPKTBYXKH-CYBMUJFWSA-N 2 0 218.344 2.307 10 0 BEAERP [NH3+]C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011888431 384705825 /nfs/dbraw/zinc/70/58/25/384705825.db2.gz RDHICDHGPRESKH-ZDUSSCGKSA-N 2 0 236.334 2.039 10 0 BEAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nccs1 ZINC000083143317 384744063 /nfs/dbraw/zinc/74/40/63/384744063.db2.gz CCEBVNAQRAWHIX-XNWIYYODSA-N 2 0 225.361 2.064 10 0 BEAERP CC[C@H]([NH2+]CCC[NH+](C)C)C(C)(C)C ZINC000308597827 384832419 /nfs/dbraw/zinc/83/24/19/384832419.db2.gz NGTGGQGWEJHGDH-NSHDSACASA-N 2 0 200.370 2.352 10 0 BEAERP C[NH+](C)CCC[N@@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000026740808 384792242 /nfs/dbraw/zinc/79/22/42/384792242.db2.gz XIGOUYOYBNFUEG-ZMYVRHLSSA-N 2 0 236.403 2.306 10 0 BEAERP Cc1cc(C)c(C[NH2+]C[C@H]2CC[NH2+]C2)c(C)c1 ZINC000258956250 384956672 /nfs/dbraw/zinc/95/66/72/384956672.db2.gz RVKXXULAPNPDJX-AWEZNQCLSA-N 2 0 232.371 2.311 10 0 BEAERP Cc1cc(C)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000258956252 384956842 /nfs/dbraw/zinc/95/68/42/384956842.db2.gz RVKXXULAPNPDJX-CQSZACIVSA-N 2 0 232.371 2.311 10 0 BEAERP Cc1cc(N[C@H](C)[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000336099544 384890781 /nfs/dbraw/zinc/89/07/81/384890781.db2.gz LIGWOJRSNFICBU-WDEREUQCSA-N 2 0 229.327 2.113 10 0 BEAERP Cc1cc(C)c(C[NH2+]CC[C@H](C)[NH3+])cc1C ZINC000258681941 384931877 /nfs/dbraw/zinc/93/18/77/384931877.db2.gz DUWDYLQHFCXDRG-ZDUSSCGKSA-N 2 0 220.360 2.439 10 0 BEAERP Cc1cccc(C[NH2+]C(C)(C)CC[NH3+])c1 ZINC000258687720 384932597 /nfs/dbraw/zinc/93/25/97/384932597.db2.gz BGSRSBWTFYGTFI-UHFFFAOYSA-N 2 0 206.333 2.212 10 0 BEAERP Cc1ccsc1CC[NH2+]C1CCC([NH3+])CC1 ZINC000258827745 384940941 /nfs/dbraw/zinc/94/09/41/384940941.db2.gz PHIHKQVCJNOGPP-UHFFFAOYSA-N 2 0 238.400 2.459 10 0 BEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000062179811 384983498 /nfs/dbraw/zinc/98/34/98/384983498.db2.gz MDILHHANIRJVPD-GFCCVEGCSA-N 2 0 218.344 2.041 10 0 BEAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1(C)CC1 ZINC000044516209 385209355 /nfs/dbraw/zinc/20/93/55/385209355.db2.gz FNFLOYIFPQTKNS-NSHDSACASA-N 2 0 210.365 2.106 10 0 BEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588942 385742307 /nfs/dbraw/zinc/74/23/07/385742307.db2.gz DEMWUSNSSPWNMW-CHWSQXEVSA-N 2 0 242.432 2.202 10 0 BEAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000414864993 385771233 /nfs/dbraw/zinc/77/12/33/385771233.db2.gz CKCDTTSOKDNWMP-IJLUTSLNSA-N 2 0 210.365 2.153 10 0 BEAERP FC1(F)CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335035649 385925497 /nfs/dbraw/zinc/92/54/97/385925497.db2.gz WYFMBSJGGAINBI-WDEREUQCSA-N 2 0 232.318 2.296 10 0 BEAERP C([NH2+][C@H]1CCC[NH2+]CC1)C12CCC(CC1)C2 ZINC000335023868 385983932 /nfs/dbraw/zinc/98/39/32/385983932.db2.gz JPZUTESWRDPQTN-MOKVOYLWSA-N 2 0 222.376 2.298 10 0 BEAERP CCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000336752310 386015470 /nfs/dbraw/zinc/01/54/70/386015470.db2.gz GDTQARWGNHRFDB-OLZOCXBDSA-N 2 0 212.381 2.497 10 0 BEAERP Fc1cccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000128952096 386020592 /nfs/dbraw/zinc/02/05/92/386020592.db2.gz IPEICPMUEFSFAO-CQSZACIVSA-N 2 0 236.334 2.100 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393943851 386188886 /nfs/dbraw/zinc/18/88/86/386188886.db2.gz CKUZDPSZJNLYIS-ZOBORPQBSA-N 2 0 222.376 2.391 10 0 BEAERP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398371103 386818723 /nfs/dbraw/zinc/81/87/23/386818723.db2.gz OOXGAFBKRCGZOC-LLVKDONJSA-N 2 0 238.762 2.348 10 0 BEAERP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000395355300 386821387 /nfs/dbraw/zinc/82/13/87/386821387.db2.gz USJJKGZHSSHHDU-FRRDWIJNSA-N 2 0 210.365 2.153 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000228187217 387069314 /nfs/dbraw/zinc/06/93/14/387069314.db2.gz GLDSCMYJYQBWQM-BYNQJWBRSA-N 2 0 222.376 2.390 10 0 BEAERP Nc1ccc(Cl)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575438620 387131232 /nfs/dbraw/zinc/13/12/32/387131232.db2.gz MPFDBTXTGLHVFJ-JTQLQIEISA-N 2 0 227.739 2.051 10 0 BEAERP [NH3+]CC[C@@H]([NH3+])c1cccc(F)c1C(F)(F)F ZINC000575438037 387112764 /nfs/dbraw/zinc/11/27/64/387112764.db2.gz AQRVHMUPSSARRK-MRVPVSSYSA-N 2 0 236.212 2.193 10 0 BEAERP COc1cc([C@H]([NH3+])CCCC[NH3+])ccc1C ZINC000575438816 387119043 /nfs/dbraw/zinc/11/90/43/387119043.db2.gz BCFZLVUXQQLMNR-GFCCVEGCSA-N 2 0 222.332 2.132 10 0 BEAERP Cc1cc(O)cc(C)c1[C@H]([NH3+])CCCC[NH3+] ZINC000575439158 387121245 /nfs/dbraw/zinc/12/12/45/387121245.db2.gz VGVVGKBAOLKUTO-GFCCVEGCSA-N 2 0 222.332 2.138 10 0 BEAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])c(C)c1 ZINC000575439273 387121836 /nfs/dbraw/zinc/12/18/36/387121836.db2.gz QXJRLZCGIPIGQU-CYBMUJFWSA-N 2 0 222.332 2.132 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000575439113 387121954 /nfs/dbraw/zinc/12/19/54/387121954.db2.gz SXJZZCQVKIKXRZ-SNVBAGLBSA-N 2 0 232.249 2.444 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000575439577 387123437 /nfs/dbraw/zinc/12/34/37/387123437.db2.gz SGLWFEWAAMLFKE-NSHDSACASA-N 2 0 232.249 2.233 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000575439498 387124434 /nfs/dbraw/zinc/12/44/34/387124434.db2.gz BGPHDSMBGZJVAY-NSHDSACASA-N 2 0 212.724 2.469 10 0 BEAERP COc1cc([C@@H]([NH3+])CCC[NH3+])ccc1Cl ZINC000575439808 387126119 /nfs/dbraw/zinc/12/61/19/387126119.db2.gz YJYZQXABLJATCG-JTQLQIEISA-N 2 0 228.723 2.087 10 0 BEAERP Cc1cc([C@H]([NH3+])CCCC[NH3+])ccc1F ZINC000575440258 387127721 /nfs/dbraw/zinc/12/77/21/387127721.db2.gz XRBSQQPPKWURBT-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000575438325 387129161 /nfs/dbraw/zinc/12/91/61/387129161.db2.gz HKIJLLTZABXIOF-SNVBAGLBSA-N 2 0 230.258 2.027 10 0 BEAERP CCc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438387 387129623 /nfs/dbraw/zinc/12/96/23/387129623.db2.gz IOZSNVYTSSGEPU-ZDUSSCGKSA-N 2 0 206.333 2.378 10 0 BEAERP Cc1cccc(Cl)c1[C@H]([NH3+])CCC[NH3+] ZINC000575438460 387129816 /nfs/dbraw/zinc/12/98/16/387129816.db2.gz JINDQMQOMYLUCL-SNVBAGLBSA-N 2 0 212.724 2.387 10 0 BEAERP C[NH+](C)C1(C2CCCCC2)CC[NH2+]CC1 ZINC000167750816 387158446 /nfs/dbraw/zinc/15/84/46/387158446.db2.gz IHXBKWFMMFMINE-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP CCC1([NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000536952067 387163275 /nfs/dbraw/zinc/16/32/75/387163275.db2.gz ADXUKIDVHKKLLR-UHFFFAOYSA-N 2 0 210.365 2.395 10 0 BEAERP Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000229577258 387182162 /nfs/dbraw/zinc/18/21/62/387182162.db2.gz SWGQOTIIZYSKRN-CYBMUJFWSA-N 2 0 221.348 2.200 10 0 BEAERP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000514825104 387289964 /nfs/dbraw/zinc/28/99/64/387289964.db2.gz QEYOBSCCCMIUKY-NEPJUHHUSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000514825105 387290167 /nfs/dbraw/zinc/29/01/67/387290167.db2.gz QEYOBSCCCMIUKY-NWDGAFQWSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000643468322 387418188 /nfs/dbraw/zinc/41/81/88/387418188.db2.gz QBALEEIXAUISHF-NTZNESFSSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400709927 387566229 /nfs/dbraw/zinc/56/62/29/387566229.db2.gz LWYNZBCPMQRCCK-UTUOFQBUSA-N 2 0 238.400 2.267 10 0 BEAERP CCC1CCC([NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000422724514 387633235 /nfs/dbraw/zinc/63/32/35/387633235.db2.gz VWNDXEFKXAORQQ-ZBOXLXRLSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1F ZINC000422870447 387748619 /nfs/dbraw/zinc/74/86/19/387748619.db2.gz BRCSRXGONMUBBT-WDEREUQCSA-N 2 0 236.334 2.393 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@H]1[NH3+] ZINC000238850681 387936151 /nfs/dbraw/zinc/93/61/51/387936151.db2.gz CNGGMQNYSIBNDV-BHPKHCPMSA-N 2 0 232.371 2.490 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1CC[NH2+]C1 ZINC000400508114 387985196 /nfs/dbraw/zinc/98/51/96/387985196.db2.gz KQLSCCDGWRNCHE-YOMYCBHVSA-N 2 0 222.376 2.153 10 0 BEAERP CC(C)COCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000520393120 256671739 /nfs/dbraw/zinc/67/17/39/256671739.db2.gz COAKEVNHLFIVQQ-ZIAGYGMSSA-N 2 0 242.407 2.027 10 0 BEAERP Cc1csc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000335728649 388454332 /nfs/dbraw/zinc/45/43/32/388454332.db2.gz ZBSZQTUZPOPHLT-NSHDSACASA-N 2 0 224.373 2.288 10 0 BEAERP C[C@H](c1cccc(O)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310887881 388489825 /nfs/dbraw/zinc/48/98/25/388489825.db2.gz JUVGAWKKVOHQMH-LALPHHSUSA-N 2 0 248.370 2.370 10 0 BEAERP CCC[C@@H](C[NH2+]C1CCC([NH3+])CC1)OCC ZINC000530212175 388627744 /nfs/dbraw/zinc/62/77/44/388627744.db2.gz PIEGGNULJCYIGC-BPCQOVAHSA-N 2 0 228.380 2.051 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)c(F)cc1F ZINC000575439631 388629087 /nfs/dbraw/zinc/62/90/87/388629087.db2.gz SGLWFEWAAMLFKE-LLVKDONJSA-N 2 0 232.249 2.233 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000530217380 388630161 /nfs/dbraw/zinc/63/01/61/388630161.db2.gz BHFKWMTYZPUUMK-IHRRRGAJSA-N 2 0 222.376 2.320 10 0 BEAERP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCC[NH2+]CC1 ZINC000530216679 388630224 /nfs/dbraw/zinc/63/02/24/388630224.db2.gz BUMSZMKIEFXEQN-ZDUSSCGKSA-N 2 0 224.392 2.497 10 0 BEAERP CC1(C)CC(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000530220263 388632117 /nfs/dbraw/zinc/63/21/17/388632117.db2.gz TZBWJFCBNDHOCP-RWMBFGLXSA-N 2 0 222.376 2.092 10 0 BEAERP CCCC[C@@H](C[NH3+])Nc1cc[nH+]c(C)c1 ZINC000229576758 388795226 /nfs/dbraw/zinc/79/52/26/388795226.db2.gz FVXQSMDCYBMRBQ-LBPRGKRZSA-N 2 0 207.321 2.319 10 0 BEAERP C[C@@H]([NH2+]CCCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000564826238 388891821 /nfs/dbraw/zinc/89/18/21/388891821.db2.gz HPDUFYKOJLAGFN-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]([NH2+]CCC(C)(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400515310 533372820 /nfs/dbraw/zinc/37/28/20/533372820.db2.gz MVUVOGVXBNSTCG-NEPJUHHUSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400344229 533540776 /nfs/dbraw/zinc/54/07/76/533540776.db2.gz IKXBUCWCXHRYSE-LPWJVIDDSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400549540 533549017 /nfs/dbraw/zinc/54/90/17/533549017.db2.gz XAAGZNIFIKAVPL-ITGHMWBKSA-N 2 0 224.392 2.399 10 0 BEAERP C(C1CC[NH+](C2CCC2)CC1)[NH+]1CCCC1 ZINC000178981601 134313868 /nfs/dbraw/zinc/31/38/68/134313868.db2.gz DNOWHALIQDABGS-UHFFFAOYSA-N 2 0 222.376 2.347 10 0 BEAERP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000070762150 135013143 /nfs/dbraw/zinc/01/31/43/135013143.db2.gz WCGLGHBJNAFHHO-YNEHKIRRSA-N 2 0 212.381 2.495 10 0 BEAERP CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000251772097 135076204 /nfs/dbraw/zinc/07/62/04/135076204.db2.gz WCGLGHBJNAFHHO-UPJWGTAASA-N 2 0 212.381 2.495 10 0 BEAERP CC1(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261530835 135158792 /nfs/dbraw/zinc/15/87/92/135158792.db2.gz DGQDOQFWEMIUGA-LLVKDONJSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CC1CCC(C)CC1 ZINC000261536981 135173395 /nfs/dbraw/zinc/17/33/95/135173395.db2.gz ULIUWVVUIDXIOR-PYNQCMFNSA-N 2 0 210.365 2.234 10 0 BEAERP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538157 135175448 /nfs/dbraw/zinc/17/54/48/135175448.db2.gz JYNKNPGEKVJAPV-RYUDHWBXSA-N 2 0 246.345 2.483 10 0 BEAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538252 135175754 /nfs/dbraw/zinc/17/57/54/135175754.db2.gz UGEOONNLIBNMLK-WOPDTQHZSA-N 2 0 246.345 2.481 10 0 BEAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538248 135175856 /nfs/dbraw/zinc/17/58/56/135175856.db2.gz UGEOONNLIBNMLK-IJLUTSLNSA-N 2 0 246.345 2.481 10 0 BEAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCCC2(CCC2)C1 ZINC000261802037 135254246 /nfs/dbraw/zinc/25/42/46/135254246.db2.gz HAAKFTDDPZCJFG-ZDUSSCGKSA-N 2 0 222.376 2.252 10 0 BEAERP CC[C@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000090968115 135556222 /nfs/dbraw/zinc/55/62/22/135556222.db2.gz CZGPMQCRFGTRGM-AVGNSLFASA-N 2 0 212.381 2.493 10 0 BEAERP C[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)CC(C)(C)C1 ZINC000335551107 136097913 /nfs/dbraw/zinc/09/79/13/136097913.db2.gz AJBKTLSBRMRLEW-JQWIXIFHSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)CC(C)(C)C1 ZINC000335551108 136098184 /nfs/dbraw/zinc/09/81/84/136098184.db2.gz AJBKTLSBRMRLEW-PWSUYJOCSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccn1 ZINC000051692993 398057301 /nfs/dbraw/zinc/05/73/01/398057301.db2.gz LKAWIXXLVZSGCR-VOMCLLRMSA-N 2 0 219.332 2.002 10 0 BEAERP CC(C)(CC[NH3+])[NH2+]Cc1ccccc1F ZINC000258918721 322879510 /nfs/dbraw/zinc/87/95/10/322879510.db2.gz UEGGVOXBKAMCIN-UHFFFAOYSA-N 2 0 210.296 2.043 10 0 BEAERP c1oc2ccccc2c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000259012732 322881136 /nfs/dbraw/zinc/88/11/36/322881136.db2.gz XTXXHMNIQOODEY-LLVKDONJSA-N 2 0 230.311 2.132 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@@H]12 ZINC000662266338 409565223 /nfs/dbraw/zinc/56/52/23/409565223.db2.gz MDCDQXZFVRURQQ-BFHYXJOUSA-N 2 0 222.376 2.236 10 0 BEAERP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000109683413 409572486 /nfs/dbraw/zinc/57/24/86/409572486.db2.gz IEPFVXMATSDZIW-GJZGRUSLSA-N 2 0 244.382 2.263 10 0 BEAERP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000109683409 409573466 /nfs/dbraw/zinc/57/34/66/409573466.db2.gz IEPFVXMATSDZIW-HUUCEWRRSA-N 2 0 244.382 2.263 10 0 BEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000052382618 167002486 /nfs/dbraw/zinc/00/24/86/167002486.db2.gz VVKSTHPNDYXGAH-UONOGXRCSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309671630 167031776 /nfs/dbraw/zinc/03/17/76/167031776.db2.gz KAHLJCRYRDGSKN-JHJVBQTASA-N 2 0 224.392 2.493 10 0 BEAERP CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000036787457 167368102 /nfs/dbraw/zinc/36/81/02/167368102.db2.gz ANNDDLVFHBIVTN-LLVKDONJSA-N 2 0 233.359 2.447 10 0 BEAERP CC(C)[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019019 167380620 /nfs/dbraw/zinc/38/06/20/167380620.db2.gz JFEDNZGPYQDYTA-RLAWYHOSSA-N 2 0 224.392 2.493 10 0 BEAERP CC(C)[C@@H](C[NH+](C)C)N1Cc2ccccc2C1=[NH2+] ZINC000049217126 167394785 /nfs/dbraw/zinc/39/47/85/167394785.db2.gz FFNWZSNUGGCGKD-CQSZACIVSA-N 2 0 245.370 2.414 10 0 BEAERP CN(CC(C)(C)[NH3+])c1cc[nH+]c2ccccc21 ZINC000656609664 411308831 /nfs/dbraw/zinc/30/88/31/411308831.db2.gz SETPCQCXWOCZIU-UHFFFAOYSA-N 2 0 229.327 2.408 10 0 BEAERP C[C@@H]1C[N@@H+](C2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000309190705 168158968 /nfs/dbraw/zinc/15/89/68/168158968.db2.gz IREHWNVMXFVKFC-FKZOYECMSA-N 2 0 224.392 2.482 10 0 BEAERP CC1CCC([N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000049709751 168159738 /nfs/dbraw/zinc/15/97/38/168159738.db2.gz SUIGBUCAFLGZNL-ZFQMDJOTSA-N 2 0 210.365 2.377 10 0 BEAERP CC1CCC([N@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911687 168159969 /nfs/dbraw/zinc/15/99/69/168159969.db2.gz PYDGKXIXTIBCPE-JXQTWKCFSA-N 2 0 224.392 2.497 10 0 BEAERP CC1CC[NH+]([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037156826 168187514 /nfs/dbraw/zinc/18/75/14/168187514.db2.gz IYJQXUBLPSMLQW-OLZOCXBDSA-N 2 0 210.365 2.236 10 0 BEAERP C[NH2+]Cc1ccccc1CNc1cc[nH+]c(C)c1 ZINC000404639140 411402130 /nfs/dbraw/zinc/40/21/30/411402130.db2.gz KNPCAEYAUQQWSY-UHFFFAOYSA-N 2 0 241.338 2.143 10 0 BEAERP CC[NH2+]CCC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423923 170112890 /nfs/dbraw/zinc/11/28/90/170112890.db2.gz QTEQTABMSDWTAU-AWEZNQCLSA-N 2 0 249.402 2.334 10 0 BEAERP CC[NH2+]CC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419186 170116706 /nfs/dbraw/zinc/11/67/06/170116706.db2.gz HAYXDKNRMSENDF-CYBMUJFWSA-N 2 0 232.371 2.433 10 0 BEAERP CC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000045205602 170126848 /nfs/dbraw/zinc/12/68/48/170126848.db2.gz XWPJXCBIZRWEPT-UHFFFAOYSA-N 2 0 218.344 2.392 10 0 BEAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)CC)cc1 ZINC000052446110 170127401 /nfs/dbraw/zinc/12/74/01/170127401.db2.gz WKWGHQRUKDSHDE-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP CC[NH2+][C@@H](C)Cc1nc2c(cccc2C)[nH]1 ZINC000061181991 170139777 /nfs/dbraw/zinc/13/97/77/170139777.db2.gz DULGPIJATGCUMX-JTQLQIEISA-N 2 0 217.316 2.412 10 0 BEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1[NH+]1CCCC1 ZINC000043807276 170150551 /nfs/dbraw/zinc/15/05/51/170150551.db2.gz DUKFGHBUUOHBKN-OLZOCXBDSA-N 2 0 210.365 2.393 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCCSCC1 ZINC000053879669 170150972 /nfs/dbraw/zinc/15/09/72/170150972.db2.gz ODULMMFCECUKQI-CHWSQXEVSA-N 2 0 242.432 2.204 10 0 BEAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1C ZINC000049710559 170151267 /nfs/dbraw/zinc/15/12/67/170151267.db2.gz NCPQFLMNBGKZBZ-WCQYABFASA-N 2 0 210.365 2.106 10 0 BEAERP CC[NH2+][C@H](CC[N@H+](CC)CCOC)C(C)(C)C ZINC000054029059 170161684 /nfs/dbraw/zinc/16/16/84/170161684.db2.gz GTQGUEOKTPYTGU-CYBMUJFWSA-N 2 0 244.423 2.369 10 0 BEAERP CC[NH2+][C@H]1CCCCC[C@@H]1[NH+]1CCCC1 ZINC000043807278 170165740 /nfs/dbraw/zinc/16/57/40/170165740.db2.gz DUKFGHBUUOHBKN-STQMWFEESA-N 2 0 210.365 2.393 10 0 BEAERP CC[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1C ZINC000049713170 170166698 /nfs/dbraw/zinc/16/66/98/170166698.db2.gz CIWPUYJPDHRDOJ-RYUDHWBXSA-N 2 0 212.381 2.352 10 0 BEAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000053860880 170166960 /nfs/dbraw/zinc/16/69/60/170166960.db2.gz HORDZPUCDIFSBL-KBPBESRZSA-N 2 0 224.392 2.497 10 0 BEAERP CC[NH2+][C@H]1CCc2c1cccc2OCC[NH+](C)C ZINC000062799769 170168797 /nfs/dbraw/zinc/16/87/97/170168797.db2.gz SZXVMIBAJCAIOF-AWEZNQCLSA-N 2 0 248.370 2.224 10 0 BEAERP CC[C@@H]1CC[N@H+](CCc2ccco2)CCC[NH2+]1 ZINC000049667364 171011671 /nfs/dbraw/zinc/01/16/71/171011671.db2.gz SJRJLAYFGKLDMC-CYBMUJFWSA-N 2 0 236.359 2.286 10 0 BEAERP CC[C@@H]1CC[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000049666848 171012683 /nfs/dbraw/zinc/01/26/83/171012683.db2.gz GTBWKVIKCCRGLM-OAHLLOKOSA-N 2 0 247.386 2.088 10 0 BEAERP CC[C@H](C)C[N@@H+]1CCC[NH2+][C@@H](CC)CC1 ZINC000054490872 171279672 /nfs/dbraw/zinc/27/96/72/171279672.db2.gz XNEMSZIOEIYGQT-STQMWFEESA-N 2 0 212.381 2.497 10 0 BEAERP CO[C@H](C[NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000665275697 412219497 /nfs/dbraw/zinc/21/94/97/412219497.db2.gz PJZKTJHKAOFXFI-JXQTWKCFSA-N 2 0 240.391 2.051 10 0 BEAERP C1CC(C2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)C1 ZINC000665284010 412229415 /nfs/dbraw/zinc/22/94/15/412229415.db2.gz YTFYMMVLHIJCHG-RUXDESIVSA-N 2 0 222.376 2.297 10 0 BEAERP Cc1[nH+]ccc(NCC[C@@H]([NH3+])C(C)C)c1Cl ZINC000663276009 412405400 /nfs/dbraw/zinc/40/54/00/412405400.db2.gz IPOPDFVBBMYETF-SNVBAGLBSA-N 2 0 241.766 2.251 10 0 BEAERP CCn1cc[nH+]c1N[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000104305372 172228419 /nfs/dbraw/zinc/22/84/19/172228419.db2.gz UIKIQUZTTZNDQY-YPMHNXCESA-N 2 0 236.363 2.223 10 0 BEAERP C[N@@H+]1CCC[C@@H]1CCOCc1ccc(C[NH3+])cc1 ZINC000052673317 173027767 /nfs/dbraw/zinc/02/77/67/173027767.db2.gz PMSWHSFWCOCUFL-OAHLLOKOSA-N 2 0 248.370 2.146 10 0 BEAERP C[N@@H+]1CCC[C@H]1CCOCc1ccc(C[NH3+])cc1 ZINC000052673319 173054917 /nfs/dbraw/zinc/05/49/17/173054917.db2.gz PMSWHSFWCOCUFL-HNNXBMFYSA-N 2 0 248.370 2.146 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000131296735 173322874 /nfs/dbraw/zinc/32/28/74/173322874.db2.gz VWVDYFBWPFYGNZ-ZDUSSCGKSA-N 2 0 232.371 2.474 10 0 BEAERP C[NH2+]CC(C)(C)C[NH+]1CCC(C)(C)CC1 ZINC000061822413 173336135 /nfs/dbraw/zinc/33/61/35/173336135.db2.gz XOPPNZUUDNBDFH-UHFFFAOYSA-N 2 0 212.381 2.354 10 0 BEAERP C[NH2+]CCCC[N@H+](C)Cc1ccccc1OC ZINC000042442414 173345365 /nfs/dbraw/zinc/34/53/65/173345365.db2.gz XAWCEAVKQBEISK-UHFFFAOYSA-N 2 0 236.359 2.127 10 0 BEAERP C[NH2+]CCOCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000077418411 173357156 /nfs/dbraw/zinc/35/71/56/173357156.db2.gz YPDOFHQPCKSTQE-UHFFFAOYSA-N 2 0 247.342 2.422 10 0 BEAERP C[NH2+]C[C@@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC000052670534 173367192 /nfs/dbraw/zinc/36/71/92/173367192.db2.gz HSLPGBMKKVWRBL-OAHLLOKOSA-N 2 0 248.370 2.060 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000053035113 173371216 /nfs/dbraw/zinc/37/12/16/173371216.db2.gz KVPVMEZNRZCBIM-GXTWGEPZSA-N 2 0 246.354 2.052 10 0 BEAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425060 173372031 /nfs/dbraw/zinc/37/20/31/173372031.db2.gz WHPAEZSUSISYFF-UONOGXRCSA-N 2 0 240.391 2.020 10 0 BEAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C2CCCC2)C1 ZINC000054082009 173379163 /nfs/dbraw/zinc/37/91/63/173379163.db2.gz SPWYLWMRRJQOBD-CHWSQXEVSA-N 2 0 224.392 2.497 10 0 BEAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425062 173382543 /nfs/dbraw/zinc/38/25/43/173382543.db2.gz WHPAEZSUSISYFF-ZIAGYGMSSA-N 2 0 240.391 2.020 10 0 BEAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425065 173382770 /nfs/dbraw/zinc/38/27/70/173382770.db2.gz WHPAEZSUSISYFF-KGLIPLIRSA-N 2 0 240.391 2.020 10 0 BEAERP C[NH2+]Cc1cc(C)ccc1OCC[NH+]1CCCC1 ZINC000071403541 173386250 /nfs/dbraw/zinc/38/62/50/173386250.db2.gz ZTRJKRZCKONIQD-UHFFFAOYSA-N 2 0 248.370 2.189 10 0 BEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484678 173390581 /nfs/dbraw/zinc/39/05/81/173390581.db2.gz LWOAIRHYVHAXGE-GFCCVEGCSA-N 2 0 218.344 2.248 10 0 BEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1C ZINC000052376132 173390854 /nfs/dbraw/zinc/39/08/54/173390854.db2.gz GZXCKNGFJBPCRH-GFCCVEGCSA-N 2 0 218.344 2.390 10 0 BEAERP C[NH2+]Cc1ccoc1C[NH+]1CCC(C)CC1 ZINC000052376933 173391417 /nfs/dbraw/zinc/39/14/17/173391417.db2.gz IRGOZFAMPZBRJF-UHFFFAOYSA-N 2 0 222.332 2.231 10 0 BEAERP C[NH2+]Cc1coc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000052378906 173393914 /nfs/dbraw/zinc/39/39/14/173393914.db2.gz VESPAGSBOLWMFA-NSHDSACASA-N 2 0 222.332 2.373 10 0 BEAERP C[NH2+]Cc1occc1C[NH+]1CCCCCC1 ZINC000052381885 173399484 /nfs/dbraw/zinc/39/94/84/173399484.db2.gz PZUMKSGRUTYAKN-UHFFFAOYSA-N 2 0 222.332 2.375 10 0 BEAERP COCCCCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124048269 174176247 /nfs/dbraw/zinc/17/62/47/174176247.db2.gz XQSOTEZEVIWDHR-ZIAGYGMSSA-N 2 0 242.407 2.218 10 0 BEAERP COCC[N@H+]([C@@H](C)C1CC1)C1CCC([NH3+])CC1 ZINC000055144613 174285105 /nfs/dbraw/zinc/28/51/05/174285105.db2.gz BDFUVXFGRAMSEH-XGNXJENSSA-N 2 0 240.391 2.003 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000042368723 174287147 /nfs/dbraw/zinc/28/71/47/174287147.db2.gz VUTXUBNYPNFXCQ-HZSPNIEDSA-N 2 0 242.407 2.107 10 0 BEAERP COCC[N@H+](CC(C)C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000053858761 174287239 /nfs/dbraw/zinc/28/72/39/174287239.db2.gz MZGOMVLQUXGDMB-KGLIPLIRSA-N 2 0 242.407 2.108 10 0 BEAERP COCC[N@H+]([C@H](C)C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616136 174302585 /nfs/dbraw/zinc/30/25/85/174302585.db2.gz LLWMEZRYEKZCBE-KWCYVHTRSA-N 2 0 240.391 2.003 10 0 BEAERP COc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062911576 175095319 /nfs/dbraw/zinc/09/53/19/175095319.db2.gz SPFJZXGBOBHBEC-OAHLLOKOSA-N 2 0 248.370 2.127 10 0 BEAERP COc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062911575 175095932 /nfs/dbraw/zinc/09/59/32/175095932.db2.gz SPFJZXGBOBHBEC-HNNXBMFYSA-N 2 0 248.370 2.127 10 0 BEAERP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH3+] ZINC000037713399 175207987 /nfs/dbraw/zinc/20/79/87/175207987.db2.gz WXVALGVDHFJRMN-AWEZNQCLSA-N 2 0 234.343 2.011 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245106 175292671 /nfs/dbraw/zinc/29/26/71/175292671.db2.gz VCXTXKXNJZLDCD-NWDGAFQWSA-N 2 0 234.343 2.037 10 0 BEAERP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666648 176030115 /nfs/dbraw/zinc/03/01/15/176030115.db2.gz IZEDBLFTOCXBSI-MCIONIFRSA-N 2 0 247.386 2.463 10 0 BEAERP C[C@@H](c1ccco1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000086701685 176031545 /nfs/dbraw/zinc/03/15/45/176031545.db2.gz AEWORAOHILWFQP-NSHDSACASA-N 2 0 222.332 2.272 10 0 BEAERP C[C@@H](c1cccs1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035737082 176033712 /nfs/dbraw/zinc/03/37/12/176033712.db2.gz XZDHMSCIVWBHAY-VHSXEESVSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000019482633 176073606 /nfs/dbraw/zinc/07/36/06/176073606.db2.gz ZILRBMXBUYMYDY-LLVKDONJSA-N 2 0 231.343 2.345 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019480603 176073739 /nfs/dbraw/zinc/07/37/39/176073739.db2.gz HFGQBOPDJPMFRX-SNVBAGLBSA-N 2 0 249.333 2.484 10 0 BEAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC[NH2+]CCC1 ZINC000049665314 176078595 /nfs/dbraw/zinc/07/85/95/176078595.db2.gz WDNUUNHKJGCJIW-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1CCC[N@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482377 176097053 /nfs/dbraw/zinc/09/70/53/176097053.db2.gz CYCMNDPORZCZRL-PNESKVBLSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000019519613 176099647 /nfs/dbraw/zinc/09/96/47/176099647.db2.gz XOBHQFCXJYZBLI-SNVBAGLBSA-N 2 0 249.333 2.342 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000037911066 176107899 /nfs/dbraw/zinc/10/78/99/176107899.db2.gz JSMRXWKKEWHQAV-SECBINFHSA-N 2 0 235.306 2.094 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000037910075 176108997 /nfs/dbraw/zinc/10/89/97/176108997.db2.gz VSSWZXRNMNPJGC-SNVBAGLBSA-N 2 0 222.307 2.269 10 0 BEAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])CC2)[C@@H]1C ZINC000019479429 176140878 /nfs/dbraw/zinc/14/08/78/176140878.db2.gz RWWYMGPURNNWNQ-WZRBSPASSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000044412935 176201727 /nfs/dbraw/zinc/20/17/27/176201727.db2.gz XIPMFJXMWYKXRY-YPMHNXCESA-N 2 0 236.334 2.385 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CC2CCCC2)C1 ZINC000049666026 176329056 /nfs/dbraw/zinc/32/90/56/176329056.db2.gz TVCKCAZMFGQXIQ-CHWSQXEVSA-N 2 0 224.392 2.354 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CC(C)(C)C)C1 ZINC000049667096 176329365 /nfs/dbraw/zinc/32/93/65/176329365.db2.gz ZTBUGKWPMYPZLF-VXGBXAGGSA-N 2 0 212.381 2.210 10 0 BEAERP C[C@@H]1C[C@@H](CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000083254965 176366574 /nfs/dbraw/zinc/36/65/74/176366574.db2.gz MNHIPMWKEKKGBU-TZMCWYRMSA-N 2 0 218.344 2.246 10 0 BEAERP C[C@H](c1ccco1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000086701687 177047227 /nfs/dbraw/zinc/04/72/27/177047227.db2.gz AEWORAOHILWFQP-LLVKDONJSA-N 2 0 222.332 2.272 10 0 BEAERP C[C@H](c1cccs1)N1CCC[NH2+]CC1 ZINC000022108907 177049386 /nfs/dbraw/zinc/04/93/86/177049386.db2.gz VBBCBPZPSYXWIH-SNVBAGLBSA-N 2 0 210.346 2.104 10 0 BEAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058058451 177077192 /nfs/dbraw/zinc/07/71/92/177077192.db2.gz HVQXIJXDQHORAG-AVGNSLFASA-N 2 0 210.365 2.378 10 0 BEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000019437765 177077796 /nfs/dbraw/zinc/07/77/96/177077796.db2.gz OGVXRKCJKAZMHG-NSHDSACASA-N 2 0 231.343 2.345 10 0 BEAERP C[C@H]1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000019519614 177099911 /nfs/dbraw/zinc/09/99/11/177099911.db2.gz XOBHQFCXJYZBLI-JTQLQIEISA-N 2 0 249.333 2.342 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1occc1C[NH3+] ZINC000052373319 177103639 /nfs/dbraw/zinc/10/36/39/177103639.db2.gz OUINUMFZGWQVJF-WDEREUQCSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@H]1CCC[N@@H+]1CCCOc1cccc(C[NH3+])c1 ZINC000037910102 177108658 /nfs/dbraw/zinc/10/86/58/177108658.db2.gz OXERMBLINZYUPH-ZDUSSCGKSA-N 2 0 248.370 2.399 10 0 BEAERP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] ZINC000058058427 177117879 /nfs/dbraw/zinc/11/78/79/177117879.db2.gz IUZAKXVLAMMAOF-RNJOBUHISA-N 2 0 210.365 2.377 10 0 BEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000042427371 177189946 /nfs/dbraw/zinc/18/99/46/177189946.db2.gz SHIOOIDCYVGEGV-ZFWWWQNUSA-N 2 0 232.371 2.288 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C(C2CC2)C2CC2)C1 ZINC000049668088 177285751 /nfs/dbraw/zinc/28/57/51/177285751.db2.gz NERSHPNGSGXCDO-RYUDHWBXSA-N 2 0 236.403 2.352 10 0 BEAERP C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000104417752 177342090 /nfs/dbraw/zinc/34/20/90/177342090.db2.gz QZRGMMZHJWNMSG-GXFFZTMASA-N 2 0 236.334 2.372 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](C2CCC([NH3+])CC2)C1 ZINC000055144196 177357596 /nfs/dbraw/zinc/35/75/96/177357596.db2.gz DNAXEEVMEQWMET-ZSVAQUKISA-N 2 0 210.365 2.234 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400317784 226340083 /nfs/dbraw/zinc/34/00/83/226340083.db2.gz ADAAYDOAXQPFIF-LPWJVIDDSA-N 2 0 210.365 2.153 10 0 BEAERP Cc1cscc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400452207 226344028 /nfs/dbraw/zinc/34/40/28/226344028.db2.gz RHOCHTZDYLEDMT-WDEREUQCSA-N 2 0 224.373 2.144 10 0 BEAERP C[C@H]([NH2+]CC1(C)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400484445 226344524 /nfs/dbraw/zinc/34/45/24/226344524.db2.gz WYCJLVBMVIPEEC-NWDGAFQWSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400697972 226349577 /nfs/dbraw/zinc/34/95/77/226349577.db2.gz JMJYFPGMEWBMPI-AAEUAGOBSA-N 2 0 208.349 2.074 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251697910 487791795 /nfs/dbraw/zinc/79/17/95/487791795.db2.gz MUNGLKRJUGMNFX-KGYLQXTDSA-N 2 0 238.400 2.396 10 0 BEAERP C[C@H]([NH2+]CC1(C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000667023770 487932036 /nfs/dbraw/zinc/93/20/36/487932036.db2.gz ZRRIZFOWFGTILT-RYUDHWBXSA-N 2 0 210.365 2.154 10 0 BEAERP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1Cl ZINC000398338615 323006781 /nfs/dbraw/zinc/00/67/81/323006781.db2.gz FHGSXMGQFULSGQ-LBPRGKRZSA-N 2 0 238.762 2.348 10 0 BEAERP CC(C)[C@H](C1CC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570199091 323052726 /nfs/dbraw/zinc/05/27/26/323052726.db2.gz MGNMVPZTYUIIMD-MRVWCRGKSA-N 2 0 224.392 2.338 10 0 BEAERP CCSCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000570624403 323064813 /nfs/dbraw/zinc/06/48/13/323064813.db2.gz LYDOXDGNPSHXNS-NEPJUHHUSA-N 2 0 230.421 2.107 10 0 BEAERP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000414899748 323151875 /nfs/dbraw/zinc/15/18/75/323151875.db2.gz CSHMPBWUKPADBF-IACUBPJLSA-N 2 0 222.376 2.154 10 0 BEAERP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000563796847 323178007 /nfs/dbraw/zinc/17/80/07/323178007.db2.gz OJHGGUUMYRUYDM-WCQYABFASA-N 2 0 210.365 2.154 10 0 BEAERP [NH3+]C1CCC([NH2+][C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000094088495 323187795 /nfs/dbraw/zinc/18/77/95/323187795.db2.gz ALHBJBCQLJZYON-NEXFUWMNSA-N 2 0 230.355 2.402 10 0 BEAERP CC(C)Cn1ccc([C@@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536959550 323972012 /nfs/dbraw/zinc/97/20/12/323972012.db2.gz LFEPYOGVJRVLFL-AWEZNQCLSA-N 2 0 247.386 2.158 10 0 BEAERP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000131682658 325177390 /nfs/dbraw/zinc/17/73/90/325177390.db2.gz NGGHXHZUPPIFAV-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000565592877 325931523 /nfs/dbraw/zinc/93/15/23/325931523.db2.gz SJCJDDACLMRFNI-UONOGXRCSA-N 2 0 247.386 2.176 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000566791087 326082524 /nfs/dbraw/zinc/08/25/24/326082524.db2.gz PJVYFVPQFJADRS-MELADBBJSA-N 2 0 222.376 2.320 10 0 BEAERP C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000566908915 326092916 /nfs/dbraw/zinc/09/29/16/326092916.db2.gz GRUXSNXTSQETBN-WCQYABFASA-N 2 0 242.432 2.107 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084219304 488038357 /nfs/dbraw/zinc/03/83/57/488038357.db2.gz XEWVDQRFHJEKEU-WZRBSPASSA-N 2 0 238.400 2.396 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000389587341 488102060 /nfs/dbraw/zinc/10/20/60/488102060.db2.gz KCFPGWHMQIQGGU-AVGNSLFASA-N 2 0 210.365 2.092 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417609 487824184 /nfs/dbraw/zinc/82/41/84/487824184.db2.gz RVKBRXDCICPMFX-MELADBBJSA-N 2 0 224.392 2.495 10 0 BEAERP C[NH2+]CCC1CC[NH+]([C@H](C)C(C)C)CC1 ZINC000069730325 490182512 /nfs/dbraw/zinc/18/25/12/490182512.db2.gz NJUBXYDUIGNCHU-GFCCVEGCSA-N 2 0 212.381 2.352 10 0 BEAERP CC(C)CC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757127976 582503417 /nfs/dbraw/zinc/50/34/17/582503417.db2.gz IKGITYXQIRLARY-KGLIPLIRSA-N 2 0 224.392 2.497 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757133855 582510719 /nfs/dbraw/zinc/51/07/19/582510719.db2.gz VJGNNYWCYIUNKB-AVGNSLFASA-N 2 0 210.365 2.391 10 0 BEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757150056 582533875 /nfs/dbraw/zinc/53/38/75/582533875.db2.gz OYMQAAJBQSKGCZ-TZMCWYRMSA-N 2 0 240.391 2.081 10 0 BEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@H](C)C[C@@H](C)O2 ZINC000757151619 582535510 /nfs/dbraw/zinc/53/55/10/582535510.db2.gz RETVTCRDZUUYQI-CHWSQXEVSA-N 2 0 240.391 2.221 10 0 BEAERP C[C@H]([NH2+]CCC(C)(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400515311 533840199 /nfs/dbraw/zinc/84/01/99/533840199.db2.gz MVUVOGVXBNSTCG-NWDGAFQWSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400437783 533842353 /nfs/dbraw/zinc/84/23/53/533842353.db2.gz LQCXUUUTKTTXIQ-AAEUAGOBSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400319689 533920118 /nfs/dbraw/zinc/92/01/18/533920118.db2.gz BITJQSSRYSVRQR-GXSJLCMTSA-N 2 0 240.297 2.052 10 0 BEAERP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400751973 533960431 /nfs/dbraw/zinc/96/04/31/533960431.db2.gz VVFLNCNJNIXNIP-QNWHQSFQSA-N 2 0 242.432 2.248 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400521978 534000390 /nfs/dbraw/zinc/00/03/90/534000390.db2.gz OSLUVHFOLVCPKZ-FRRDWIJNSA-N 2 0 236.359 2.188 10 0 BEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400474740 534088327 /nfs/dbraw/zinc/08/83/27/534088327.db2.gz ZJOJOBBVVIHMFF-TZMCWYRMSA-N 2 0 218.344 2.083 10 0 BEAERP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000242592202 519731057 /nfs/dbraw/zinc/73/10/57/519731057.db2.gz OMERQUVAOCXVFM-DGCLKSJQSA-N 2 0 210.365 2.105 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474521 519862402 /nfs/dbraw/zinc/86/24/02/519862402.db2.gz GZNAUWNOUKBLSM-CHWSQXEVSA-N 2 0 210.365 2.345 10 0 BEAERP CCC[NH2+][C@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000242539020 520093750 /nfs/dbraw/zinc/09/37/50/520093750.db2.gz JLZDNMLZVHZDLZ-OLZOCXBDSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2CCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000309052180 534477800 /nfs/dbraw/zinc/47/78/00/534477800.db2.gz QJKXAUYGRPZINF-NQBHXWOUSA-N 2 0 210.365 2.092 10 0 BEAERP Cc1csc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400412089 534820066 /nfs/dbraw/zinc/82/00/66/534820066.db2.gz UEOAAQRHMPJXTG-GHMZBOCLSA-N 2 0 224.373 2.144 10 0 BEAERP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757126508 582500914 /nfs/dbraw/zinc/50/09/14/582500914.db2.gz FYQUXPWBMFWGDT-NDBYEHHHSA-N 2 0 208.349 2.001 10 0 BEAERP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757126509 582501377 /nfs/dbraw/zinc/50/13/77/582501377.db2.gz FYQUXPWBMFWGDT-VOAKCMCISA-N 2 0 208.349 2.001 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757133858 582510488 /nfs/dbraw/zinc/51/04/88/582510488.db2.gz VJGNNYWCYIUNKB-RWMBFGLXSA-N 2 0 210.365 2.391 10 0 BEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141650 582522648 /nfs/dbraw/zinc/52/26/48/582522648.db2.gz PQRGPTKUGIKWPX-GXTWGEPZSA-N 2 0 240.391 2.223 10 0 BEAERP C[C@@H]1CC[C@]2(CCC[N@@H+]2CC2CC2)C[NH2+]1 ZINC000757129711 586426357 /nfs/dbraw/zinc/42/63/57/586426357.db2.gz MUVWJIRIDRPGMR-DGCLKSJQSA-N 2 0 208.349 2.003 10 0 BEAERP C[C@@H]1C[C@H](C)C[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757212796 586439561 /nfs/dbraw/zinc/43/95/61/586439561.db2.gz JSQDQPUOHWQBCD-WDMOLILDSA-N 2 0 218.344 2.452 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccs2)[NH2+]1 ZINC000757213458 586439839 /nfs/dbraw/zinc/43/98/39/586439839.db2.gz KHJKMHRGQKGJHK-YWVKMMECSA-N 2 0 210.346 2.136 10 0 BEAERP C[C@@H]1CC[C@H](c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000757220883 586442639 /nfs/dbraw/zinc/44/26/39/586442639.db2.gz ZYXYJPJVGHYGTL-MFKMUULPSA-N 2 0 204.317 2.001 10 0 BEAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1C[NH3+] ZINC000757228590 586442917 /nfs/dbraw/zinc/44/29/17/586442917.db2.gz DBGPZWHRPRLHOO-FIXIBIHLSA-N 2 0 247.386 2.211 10 0 BEAERP [NH3+]Cc1cc([C@H]2CCC[NH2+]C2)ccc1C1CC1 ZINC000757233079 586443239 /nfs/dbraw/zinc/44/32/39/586443239.db2.gz JNAKEMNQVRUDIZ-ZDUSSCGKSA-N 2 0 230.355 2.490 10 0 BEAERP C[C@@H]1C[C@H](C)[NH2+][C@H]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000757238466 586444138 /nfs/dbraw/zinc/44/41/38/586444138.db2.gz RZXRYPZVSKLRMU-SJHCENCUSA-N 2 0 210.365 2.151 10 0 BEAERP CC[N@@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757572465 586463050 /nfs/dbraw/zinc/46/30/50/586463050.db2.gz RGARGUJFBULSRY-CQSZACIVSA-N 2 0 218.344 2.345 10 0 BEAERP c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651056 592148637 /nfs/dbraw/zinc/14/86/37/592148637.db2.gz QBSGTAUPVKFANE-CVEARBPZSA-N 2 0 244.382 2.446 10 0 BEAERP CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000300382519 592509051 /nfs/dbraw/zinc/50/90/51/592509051.db2.gz GTFNTXIECMWJBE-QJPTWQEYSA-N 2 0 228.405 2.002 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000300382520 592509229 /nfs/dbraw/zinc/50/92/29/592509229.db2.gz GTFNTXIECMWJBE-SDDRHHMPSA-N 2 0 228.405 2.002 10 0 BEAERP CSCCCCCC[NH2+]C1CC[NH2+]CC1 ZINC000235102498 631951556 /nfs/dbraw/zinc/95/15/56/631951556.db2.gz NQBAHWVRORCRCV-UHFFFAOYSA-N 2 0 230.421 2.251 10 0 BEAERP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000235097389 631952321 /nfs/dbraw/zinc/95/23/21/631952321.db2.gz GTFNTXIECMWJBE-IJLUTSLNSA-N 2 0 228.405 2.002 10 0 BEAERP [NH3+]C1(C[NH2+][C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000088052040 641280657 /nfs/dbraw/zinc/28/06/57/641280657.db2.gz ZSKWSVGOEYMLHW-QWHCGFSZSA-N 2 0 216.328 2.014 10 0 BEAERP [NH3+]C1(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000088052041 641281196 /nfs/dbraw/zinc/28/11/96/641281196.db2.gz ZSKWSVGOEYMLHW-CHWSQXEVSA-N 2 0 216.328 2.014 10 0 BEAERP C[C@H]([N@H+](C)CCC[NH2+]C1CC1)C(C)(C)C ZINC000042779641 641557570 /nfs/dbraw/zinc/55/75/70/641557570.db2.gz YOKPAOGCVGDGKK-NSHDSACASA-N 2 0 212.381 2.495 10 0 BEAERP C[C@@H]([N@H+](C)CCC[NH2+]C1CC1)C(C)(C)C ZINC000042779643 641558435 /nfs/dbraw/zinc/55/84/35/641558435.db2.gz YOKPAOGCVGDGKK-LLVKDONJSA-N 2 0 212.381 2.495 10 0 BEAERP CO[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000050368927 643690684 /nfs/dbraw/zinc/69/06/84/643690684.db2.gz VCZXRWLOERRCJP-KGLIPLIRSA-N 2 0 240.391 2.016 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000251925996 644830008 /nfs/dbraw/zinc/83/00/08/644830008.db2.gz YIRKCKKSGODIAD-NMFUWQPSSA-N 2 0 230.355 2.212 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000706432430 712145978 /nfs/dbraw/zinc/14/59/78/712145978.db2.gz XQCZYBQTASYPAF-SGMGOOAPSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@]1(C)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000706432428 712146014 /nfs/dbraw/zinc/14/60/14/712146014.db2.gz XQCZYBQTASYPAF-SCRDCRAPSA-N 2 0 224.392 2.400 10 0 BEAERP C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000378814572 712362687 /nfs/dbraw/zinc/36/26/87/712362687.db2.gz BBFFJZAZHUBWBK-KBPBESRZSA-N 2 0 222.376 2.251 10 0 BEAERP COCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000718769900 712781881 /nfs/dbraw/zinc/78/18/81/712781881.db2.gz RFCIVGOHZJXSBX-STQMWFEESA-N 2 0 242.407 2.027 10 0 BEAERP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000133092907 710968480 /nfs/dbraw/zinc/96/84/80/710968480.db2.gz FCPMWKGCNOGEJL-GXTWGEPZSA-N 2 0 224.392 2.483 10 0 BEAERP CC(F)(F)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000718574244 711661277 /nfs/dbraw/zinc/66/12/77/711661277.db2.gz YYWKZCDTFGPJFE-GARJFASQSA-N 2 0 232.318 2.091 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@H](C)C(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000710765680 712256108 /nfs/dbraw/zinc/25/61/08/712256108.db2.gz SCUGPKOVDFPJBL-OBJOEFQTSA-N 2 0 242.407 2.107 10 0 BEAERP Cc1c[nH+]ccc1N(C)CCCCCC[NH3+] ZINC000710759193 712256666 /nfs/dbraw/zinc/25/66/66/712256666.db2.gz MKGNXFGSOZPNED-UHFFFAOYSA-N 2 0 221.348 2.345 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000715669833 712530184 /nfs/dbraw/zinc/53/01/84/712530184.db2.gz SUTRCGVGMJLMPM-RWMBFGLXSA-N 2 0 242.432 2.250 10 0 BEAERP C[C@H]([NH2+]CC[C@@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000715669830 712530266 /nfs/dbraw/zinc/53/02/66/712530266.db2.gz SUTRCGVGMJLMPM-AVGNSLFASA-N 2 0 242.432 2.250 10 0 BEAERP C[C@H]([NH2+]CCCCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000716371100 712556836 /nfs/dbraw/zinc/55/68/36/712556836.db2.gz VTEUHMFNQDMLHP-WCQYABFASA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]1CC([NH2+]CC2CC([NH3+])C2)C[C@@H](C)C1 ZINC000719376290 712806867 /nfs/dbraw/zinc/80/68/67/712806867.db2.gz GHVQZSADHVUGSC-JYBOHDQNSA-N 2 0 210.365 2.138 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@@H]2C ZINC000685954105 538899414 /nfs/dbraw/zinc/89/94/14/538899414.db2.gz LASOZELEFIPBGQ-ZDEQEGDKSA-N 2 0 210.365 2.234 10 0 BEAERP CCC(CC)(C[NH3+])C[N@@H+]1CCC[C@@H](C)C1 ZINC000051210126 168323275 /nfs/dbraw/zinc/32/32/75/168323275.db2.gz VJZSRFRWQDFTEC-GFCCVEGCSA-N 2 0 212.381 2.483 10 0 BEAERP CC(C)CSCC[NH2+]C1CCC([NH3+])CC1 ZINC000397306868 349486578 /nfs/dbraw/zinc/48/65/78/349486578.db2.gz IEJFMDRBILVLQC-UHFFFAOYSA-N 2 0 230.421 2.235 10 0 BEAERP CCC(CC)(C[NH2+]C(C)(C)C)C[N@H+](C)CCO ZINC000051249650 168326148 /nfs/dbraw/zinc/32/61/48/168326148.db2.gz MLNJSKKMZXBOET-UHFFFAOYSA-N 2 0 244.423 2.105 10 0 BEAERP Cc1[nH+]ccc(N[C@H](C)C[C@@H](C)[NH3+])c1Cl ZINC000379810869 398169753 /nfs/dbraw/zinc/16/97/53/398169753.db2.gz AEPHLPSTBXDPLD-HTQZYQBOSA-N 2 0 227.739 2.003 10 0 BEAERP CCC(CC)[N@@H+](CCOC)C[C@H]([NH3+])[C@@H](C)CC ZINC000042681732 168374337 /nfs/dbraw/zinc/37/43/37/168374337.db2.gz WLQAXXKLRPTPLT-JSGCOSHPSA-N 2 0 244.423 2.497 10 0 BEAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590225 398265085 /nfs/dbraw/zinc/26/50/85/398265085.db2.gz DIRSECRDHRRGFI-WOPDTQHZSA-N 2 0 246.345 2.481 10 0 BEAERP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700612 398270099 /nfs/dbraw/zinc/27/00/99/398270099.db2.gz OSIAREHDRLOPEC-QWRGUYRKSA-N 2 0 232.318 2.093 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000090175169 398270506 /nfs/dbraw/zinc/27/05/06/398270506.db2.gz VDUPWUSEVQNAQH-REWJHTLYSA-N 2 0 224.392 2.495 10 0 BEAERP CC[N@@H+]1CCC[C@H]([C@H]2CCCCC[NH2+]2)C1 ZINC000003735132 342737478 /nfs/dbraw/zinc/73/74/78/342737478.db2.gz SJSOQIPWFQABOH-QWHCGFSZSA-N 2 0 210.365 2.251 10 0 BEAERP CCC(CC)[NH2+]C[C@@H](C)N(C)C1CCOCC1 ZINC000053492099 168388288 /nfs/dbraw/zinc/38/82/88/168388288.db2.gz XTEBQXSEZKATFK-GFCCVEGCSA-N 2 0 242.407 2.264 10 0 BEAERP CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000390433701 539021382 /nfs/dbraw/zinc/02/13/82/539021382.db2.gz QXOGSGYFGZDBJM-MELADBBJSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000210460326 539016694 /nfs/dbraw/zinc/01/66/94/539016694.db2.gz WMERLLDQCPOUQM-GXTWGEPZSA-N 2 0 218.344 2.103 10 0 BEAERP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916081 398335183 /nfs/dbraw/zinc/33/51/83/398335183.db2.gz YXOKMQJJFIBUQN-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361867 529585030 /nfs/dbraw/zinc/58/50/30/529585030.db2.gz NXVSNTISVZKCFV-TZMCWYRMSA-N 2 0 232.371 2.337 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@@H]1CCC[NH2+]C1 ZINC000567642546 323034387 /nfs/dbraw/zinc/03/43/87/323034387.db2.gz STPJWAWPMBDMTB-YNEHKIRRSA-N 2 0 242.432 2.250 10 0 BEAERP CCC[NH+]1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000127829606 343178891 /nfs/dbraw/zinc/17/88/91/343178891.db2.gz VVIKLMVSDJROFF-UHFFFAOYSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@@H]1CC[C@@H](CC[NH+]2CCCC2)[NH2+]C1 ZINC000238311304 343255145 /nfs/dbraw/zinc/25/51/45/343255145.db2.gz ZNHJTBIWSIYVQQ-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)s1 ZINC000070600374 343333815 /nfs/dbraw/zinc/33/38/15/343333815.db2.gz OEUCRCMXZIMRPL-ZETCQYMHSA-N 2 0 218.753 2.228 10 0 BEAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Cl)s1 ZINC000070600375 343333938 /nfs/dbraw/zinc/33/39/38/343333938.db2.gz OEUCRCMXZIMRPL-SSDOTTSWSA-N 2 0 218.753 2.228 10 0 BEAERP FC1(F)CCC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC000409431492 343823738 /nfs/dbraw/zinc/82/37/38/343823738.db2.gz SMLZHNROBGCDGV-ZYHUDNBSSA-N 2 0 244.329 2.106 10 0 BEAERP CCC[C@H](C)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049553624 344653227 /nfs/dbraw/zinc/65/32/27/344653227.db2.gz IOXJCLCDXLUSLA-NWDGAFQWSA-N 2 0 200.370 2.352 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403380724 344654594 /nfs/dbraw/zinc/65/45/94/344654594.db2.gz QCSOCVCNJVAIEH-BFKVFCTQSA-N 2 0 222.376 2.282 10 0 BEAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)cc1 ZINC000117575469 344747584 /nfs/dbraw/zinc/74/75/84/344747584.db2.gz JNAGYJJPVVQTEO-OAHLLOKOSA-N 2 0 248.370 2.017 10 0 BEAERP C/C=C\C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000390147642 345257004 /nfs/dbraw/zinc/25/70/04/345257004.db2.gz IMOHZXLWSBQEII-IHWYPQMZSA-N 2 0 218.344 2.414 10 0 BEAERP Cc1ccsc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999742 345200232 /nfs/dbraw/zinc/20/02/32/345200232.db2.gz YNWZGCQEXRIFHS-MNOVXSKESA-N 2 0 224.373 2.083 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000635002688 345205099 /nfs/dbraw/zinc/20/50/99/345205099.db2.gz XFJBYENYBHAIIX-NQBHXWOUSA-N 2 0 210.365 2.153 10 0 BEAERP CCN(C)CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159061997 345406218 /nfs/dbraw/zinc/40/62/18/345406218.db2.gz IHGGNPPSWKKXNE-ZDUSSCGKSA-N 2 0 248.370 2.094 10 0 BEAERP CC(C)=CC[NH2+]CCC[NH+]1CCCCC1 ZINC000236731331 192089598 /nfs/dbraw/zinc/08/95/98/192089598.db2.gz AOCYPVDJNPANQO-UHFFFAOYSA-N 2 0 210.365 2.418 10 0 BEAERP C[C@H](C[NH3+])C[NH+]1CCC(c2ccccc2)CC1 ZINC000034506353 345829199 /nfs/dbraw/zinc/82/91/99/345829199.db2.gz ZPZAQKWMPMTCMV-CYBMUJFWSA-N 2 0 232.371 2.461 10 0 BEAERP CC(C)[NH+]1CC2CC(C1)C[NH+](C(C)C)C2 ZINC000034481653 345835023 /nfs/dbraw/zinc/83/50/23/345835023.db2.gz WDOWAAZPDWRHMR-UHFFFAOYSA-N 2 0 210.365 2.057 10 0 BEAERP CC[N@@H+](Cc1cncc(C[NH3+])c1)CC(C)C ZINC000669378410 537966589 /nfs/dbraw/zinc/96/65/89/537966589.db2.gz DKRJNJPFTXPSLJ-UHFFFAOYSA-N 2 0 221.348 2.018 10 0 BEAERP CCC[NH+](CCC)Cc1cncc(C[NH3+])c1 ZINC000669379126 537975811 /nfs/dbraw/zinc/97/58/11/537975811.db2.gz STDYSMDQTKQBHO-UHFFFAOYSA-N 2 0 221.348 2.162 10 0 BEAERP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000229564191 346437701 /nfs/dbraw/zinc/43/77/01/346437701.db2.gz KCZZSXHKDKNWQC-CYBMUJFWSA-N 2 0 219.332 2.286 10 0 BEAERP CC[NH+](CC)Cc1cc(C[NH3+])c(F)cc1F ZINC000669379957 537982043 /nfs/dbraw/zinc/98/20/43/537982043.db2.gz NJQKVOXGMCAKHE-UHFFFAOYSA-N 2 0 228.286 2.265 10 0 BEAERP [NH3+]CCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000039151424 347181311 /nfs/dbraw/zinc/18/13/11/347181311.db2.gz VWELYQXBIFLMFS-UHFFFAOYSA-N 2 0 244.382 2.315 10 0 BEAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000250614108 362812496 /nfs/dbraw/zinc/81/24/96/362812496.db2.gz NMVIYJIRSMGZDN-AAEUAGOBSA-N 2 0 238.762 2.162 10 0 BEAERP Cc1ccccc1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662202 179274071 /nfs/dbraw/zinc/27/40/71/179274071.db2.gz MMEMAFLJDQGNDA-LBPRGKRZSA-N 2 0 218.344 2.036 10 0 BEAERP Cc1ccccc1[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034958679 179334393 /nfs/dbraw/zinc/33/43/93/179334393.db2.gz OUJGEZAHHGZHDY-LBPRGKRZSA-N 2 0 218.344 2.479 10 0 BEAERP CC[NH2+]CCCNc1cc[nH+]c(C)c1Cl ZINC000308797232 323178248 /nfs/dbraw/zinc/17/82/48/323178248.db2.gz CRDPAFCIJSUYPZ-UHFFFAOYSA-N 2 0 227.739 2.455 10 0 BEAERP CCSC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000596653193 348607001 /nfs/dbraw/zinc/60/70/01/348607001.db2.gz SUDINKVGFGONTJ-LLVKDONJSA-N 2 0 228.405 2.004 10 0 BEAERP Cc1ccc(C)c([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000211432274 538024563 /nfs/dbraw/zinc/02/45/63/538024563.db2.gz ITKFKCMRZDXVOC-GXTWGEPZSA-N 2 0 218.344 2.397 10 0 BEAERP CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1CN ZINC000616584165 349328759 /nfs/dbraw/zinc/32/87/59/349328759.db2.gz HZTWEYWLELOQRL-CYBMUJFWSA-N 2 0 218.344 2.343 10 0 BEAERP CC[C@H](OCCC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000219842554 350142429 /nfs/dbraw/zinc/14/24/29/350142429.db2.gz LLVQZOAPNWJUOB-STQMWFEESA-N 2 0 228.380 2.081 10 0 BEAERP Cc1[nH]c2ccc(N[C@H]3CCC[N@@H+](C)C3)cc2[nH+]1 ZINC000075184396 180096332 /nfs/dbraw/zinc/09/63/32/180096332.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 2 0 244.342 2.377 10 0 BEAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000252208594 538085063 /nfs/dbraw/zinc/08/50/63/538085063.db2.gz VRAPUDSSFCIUIU-JHJVBQTASA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000252208595 538085556 /nfs/dbraw/zinc/08/55/56/538085556.db2.gz VRAPUDSSFCIUIU-UPJWGTAASA-N 2 0 210.365 2.236 10 0 BEAERP Cc1ncsc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000051694430 180326985 /nfs/dbraw/zinc/32/69/85/180326985.db2.gz BFZUFGAYRPKMOT-WHXUTIOJSA-N 2 0 239.388 2.372 10 0 BEAERP CC(C)[N@@H+]1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616616952 350858347 /nfs/dbraw/zinc/85/83/47/350858347.db2.gz AYAMAFQCWCEHQO-GFCCVEGCSA-N 2 0 219.332 2.082 10 0 BEAERP C[C@H](CCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000052417487 350991940 /nfs/dbraw/zinc/99/19/40/350991940.db2.gz KUZISSLMWFPTFW-GFCCVEGCSA-N 2 0 206.333 2.246 10 0 BEAERP [NH3+]CCN1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616629999 351101605 /nfs/dbraw/zinc/10/16/05/351101605.db2.gz XKXCHMIDSZJBGD-ZDUSSCGKSA-N 2 0 236.334 2.354 10 0 BEAERP C[NH+](C)[C@@H]1CCCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000606304073 351559970 /nfs/dbraw/zinc/55/99/70/351559970.db2.gz NGMVPAQWEPDLCT-YNEHKIRRSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038095342 188117304 /nfs/dbraw/zinc/11/73/04/188117304.db2.gz XEHDWDUEKGXAHJ-CQSZACIVSA-N 2 0 240.391 2.018 10 0 BEAERP C[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)C[C@H]1C ZINC000049709736 188125709 /nfs/dbraw/zinc/12/57/09/188125709.db2.gz QAPRNYNNUXPARC-FKZOYECMSA-N 2 0 224.392 2.495 10 0 BEAERP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000128242150 188143364 /nfs/dbraw/zinc/14/33/64/188143364.db2.gz IUENKTVUGKKMIU-GFCCVEGCSA-N 2 0 230.421 2.202 10 0 BEAERP CC(C)C[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049666034 188153485 /nfs/dbraw/zinc/15/34/85/188153485.db2.gz SFZHRSBDFNPJTJ-STQMWFEESA-N 2 0 212.381 2.495 10 0 BEAERP C[NH2+]Cc1cccc(C[N@H+](C)C2CCOCC2)c1 ZINC000052481139 188481996 /nfs/dbraw/zinc/48/19/96/188481996.db2.gz ARUCRHWQZAAGQS-UHFFFAOYSA-N 2 0 248.370 2.017 10 0 BEAERP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000398074221 324217138 /nfs/dbraw/zinc/21/71/38/324217138.db2.gz KKKPFGNLGQAELN-RAIGVLPGSA-N 2 0 210.365 2.282 10 0 BEAERP [NH2+]=C(c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062994111 181206171 /nfs/dbraw/zinc/20/61/71/181206171.db2.gz DRBYPAWQFIAYAL-AWEZNQCLSA-N 2 0 243.354 2.182 10 0 BEAERP [NH2+]=C1c2ccccc2CN1CC[NH+]1CCCCC1 ZINC000049575230 181208114 /nfs/dbraw/zinc/20/81/14/181208114.db2.gz IAIPEDJQLBSIND-UHFFFAOYSA-N 2 0 243.354 2.313 10 0 BEAERP C1=CC[C@@H](CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC000530217955 355899738 /nfs/dbraw/zinc/89/97/38/355899738.db2.gz DAZTTWKFZWFELW-GFCCVEGCSA-N 2 0 208.349 2.074 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1C1CC2(C1)CC[NH2+]CC2 ZINC000675069636 538499168 /nfs/dbraw/zinc/49/91/68/538499168.db2.gz JPITUALBLXATKN-GFCCVEGCSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951090 538894235 /nfs/dbraw/zinc/89/42/35/538894235.db2.gz MSDXRQCKWQTYTQ-KCLGILNXSA-N 2 0 224.392 2.208 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000685951778 538895086 /nfs/dbraw/zinc/89/50/86/538895086.db2.gz YBEXMWBJOJKQSU-FDYHWXHSSA-N 2 0 224.392 2.351 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CCCCCC1 ZINC000685951733 538895256 /nfs/dbraw/zinc/89/52/56/538895256.db2.gz WNPYJZRQRMVBCI-RYUDHWBXSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000584833979 358197193 /nfs/dbraw/zinc/19/71/93/358197193.db2.gz BCYZPULDEVOPCB-YPMHNXCESA-N 2 0 238.400 2.268 10 0 BEAERP [NH3+]C1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000039076657 358213846 /nfs/dbraw/zinc/21/38/46/358213846.db2.gz RVZAGXWSLSUHRT-UHFFFAOYSA-N 2 0 230.355 2.315 10 0 BEAERP [NH2+]=C1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000584625997 358295265 /nfs/dbraw/zinc/29/52/65/358295265.db2.gz BQSWFMZMKVJPIH-CYBMUJFWSA-N 2 0 200.285 2.399 10 0 BEAERP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2C)C1 ZINC000070047152 359040445 /nfs/dbraw/zinc/04/04/45/359040445.db2.gz WAZANJHJVJQXDB-LBPRGKRZSA-N 2 0 219.332 2.286 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000629554338 361441942 /nfs/dbraw/zinc/44/19/42/361441942.db2.gz HUUBBIFKIBVDEY-YNEHKIRRSA-N 2 0 222.376 2.154 10 0 BEAERP [NH3+]C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000026514463 181345365 /nfs/dbraw/zinc/34/53/65/181345365.db2.gz WWOHYLBDKWFZGN-AWEZNQCLSA-N 2 0 216.328 2.097 10 0 BEAERP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1C ZINC000074081391 541313198 /nfs/dbraw/zinc/31/31/98/541313198.db2.gz YYSUSENLHFYVJK-UONOGXRCSA-N 2 0 218.344 2.397 10 0 BEAERP CC[NH2+]Cc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263453 541336717 /nfs/dbraw/zinc/33/67/17/541336717.db2.gz HDRIZFMWMRSOSQ-UHFFFAOYSA-N 2 0 247.367 2.378 10 0 BEAERP CCC(C)(C)[NH2+]C[C@@H]1C[NH2+]CC12CCC2 ZINC000725269809 541339183 /nfs/dbraw/zinc/33/91/83/541339183.db2.gz ZEOOUGVMTAIVKC-NSHDSACASA-N 2 0 210.365 2.154 10 0 BEAERP CC(C)CC[NH2+][C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272953 541340348 /nfs/dbraw/zinc/34/03/48/541340348.db2.gz WDTFMLGJSGKQSU-CHWSQXEVSA-N 2 0 210.365 2.297 10 0 BEAERP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c(C)c1Cl ZINC000630526090 364215834 /nfs/dbraw/zinc/21/58/34/364215834.db2.gz QHMZJRXDJCSECD-VHSXEESVSA-N 2 0 239.750 2.018 10 0 BEAERP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000573830849 364927291 /nfs/dbraw/zinc/92/72/91/364927291.db2.gz MUHIGRQFCISIOV-RNJOBUHISA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+]CCCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000049580710 181374944 /nfs/dbraw/zinc/37/49/44/181374944.db2.gz YNOPQPSCQRDKJC-CQSZACIVSA-N 2 0 233.359 2.348 10 0 BEAERP [NH3+]CCCC[NH2+]CCSc1ccccc1 ZINC000027212384 181377919 /nfs/dbraw/zinc/37/79/19/181377919.db2.gz ZMLWRQUDVLQWPW-UHFFFAOYSA-N 2 0 224.373 2.107 10 0 BEAERP CC[N@H+](CC(C)C)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054238 541433628 /nfs/dbraw/zinc/43/36/28/541433628.db2.gz QSRQVWXHDYTODZ-CHWSQXEVSA-N 2 0 212.381 2.482 10 0 BEAERP [NH3+]CCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000037713151 181383824 /nfs/dbraw/zinc/38/38/24/181383824.db2.gz KJEAFQXHLCBUSW-AWEZNQCLSA-N 2 0 218.344 2.393 10 0 BEAERP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574308207 365033005 /nfs/dbraw/zinc/03/30/05/365033005.db2.gz SGGKFFULWKQPAG-UONOGXRCSA-N 2 0 248.370 2.043 10 0 BEAERP CCOCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000574747850 365133444 /nfs/dbraw/zinc/13/34/44/365133444.db2.gz RCHGQECTVDMDPO-OLZOCXBDSA-N 2 0 242.407 2.027 10 0 BEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000579613595 366908446 /nfs/dbraw/zinc/90/84/46/366908446.db2.gz VLFJVNQUGBMRPU-XVIXHAIJSA-N 2 0 240.391 2.050 10 0 BEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000579613596 366909268 /nfs/dbraw/zinc/90/92/68/366909268.db2.gz VLFJVNQUGBMRPU-ZUWCUPBKSA-N 2 0 240.391 2.050 10 0 BEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH+]1CCCCCCC1 ZINC000037158792 181431900 /nfs/dbraw/zinc/43/19/00/181431900.db2.gz NKULTPYSWJDVAE-QWHCGFSZSA-N 2 0 210.365 2.380 10 0 BEAERP C[N@H+]1[C@@H]2CC[C@H]1CC[C@@]2(N)c1ccccc1 ZINC000091691015 369016311 /nfs/dbraw/zinc/01/63/11/369016311.db2.gz RGVBTQKERKUAGP-BFHYXJOUSA-N 2 0 216.328 2.097 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837123 372627797 /nfs/dbraw/zinc/62/77/97/372627797.db2.gz NBLOHWQOODGQFJ-MXWKQRLJSA-N 2 0 234.334 2.194 10 0 BEAERP CCCC[C@H](C[NH3+])Nc1cc[nH+]c(C)c1Cl ZINC000336677234 169002145 /nfs/dbraw/zinc/00/21/45/169002145.db2.gz VZIPQMULGATFPV-SNVBAGLBSA-N 2 0 241.766 2.395 10 0 BEAERP CCC[N@H+](CC)[C@H](CN)c1ccc(OC)cc1 ZINC000037094706 169132335 /nfs/dbraw/zinc/13/23/35/169132335.db2.gz YKXGOJIXZBXEOI-CQSZACIVSA-N 2 0 236.359 2.427 10 0 BEAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000050368982 169189520 /nfs/dbraw/zinc/18/95/20/169189520.db2.gz VOOSSYBQRGGZPM-KGLIPLIRSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)[C@H](C)C1 ZINC000073654045 169206237 /nfs/dbraw/zinc/20/62/37/169206237.db2.gz RRNQJHWAOWCJDL-CHWSQXEVSA-N 2 0 212.381 2.352 10 0 BEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC ZINC000054601528 169255228 /nfs/dbraw/zinc/25/52/28/169255228.db2.gz XYGLFYLLQXMNNU-AGUYFDCRSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[NH2+]CCCC[N@H+](C)C[C@H]1CCCCO1 ZINC000052507120 169257100 /nfs/dbraw/zinc/25/71/00/169257100.db2.gz YAGDVQAYSRLYMM-CQSZACIVSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[NH2+]CCCCC[N@@H+]1CCO[C@H](CC)C1 ZINC000052477294 169257362 /nfs/dbraw/zinc/25/73/62/169257362.db2.gz XCNAEOWFPHCINA-CQSZACIVSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[NH2+]CC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000104195011 169261170 /nfs/dbraw/zinc/26/11/70/169261170.db2.gz CZTOXMKKGBONCT-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP c1ccc(C2(C[NH+]3CCCC3)CC[NH2+]CC2)cc1 ZINC000062943699 183387942 /nfs/dbraw/zinc/38/79/42/183387942.db2.gz IGADFDWLZOQGAF-UHFFFAOYSA-N 2 0 244.382 2.404 10 0 BEAERP CCC[NH2+]C[C@H](CC)OCC[NH+]1CCCCC1 ZINC000052670692 169263828 /nfs/dbraw/zinc/26/38/28/169263828.db2.gz QGDWJEXZGRGPGU-AWEZNQCLSA-N 2 0 242.407 2.267 10 0 BEAERP CCC[NH2+][C@@H](CCC)CN(C)CCC[NH+](C)C ZINC000104191053 169278593 /nfs/dbraw/zinc/27/85/93/169278593.db2.gz XQIVNZLYJPBFBM-AWEZNQCLSA-N 2 0 243.439 2.038 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000049709012 169281989 /nfs/dbraw/zinc/28/19/89/169281989.db2.gz JLZDNMLZVHZDLZ-QWHCGFSZSA-N 2 0 212.381 2.352 10 0 BEAERP CCCC[N@@H+]1CC[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226858543 134370446 /nfs/dbraw/zinc/37/04/46/134370446.db2.gz GZFFYQUFKQSBIG-STQMWFEESA-N 2 0 212.381 2.495 10 0 BEAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH3+] ZINC000035700750 383870738 /nfs/dbraw/zinc/87/07/38/383870738.db2.gz LSELUBOXNJERCJ-UHFFFAOYSA-N 2 0 230.311 2.370 10 0 BEAERP C[C@H]1[C@@H]([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000068592790 384002306 /nfs/dbraw/zinc/00/23/06/384002306.db2.gz NWKPWPVTPIKZQR-DYEKYZERSA-N 2 0 218.344 2.244 10 0 BEAERP C[C@@H]1C[NH2+][C@H](c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000003705116 384022945 /nfs/dbraw/zinc/02/29/45/384022945.db2.gz NUAMEKJUQIMRNT-WFASDCNBSA-N 2 0 248.370 2.298 10 0 BEAERP [NH3+]C[C@@H]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000335581075 384343391 /nfs/dbraw/zinc/34/33/91/384343391.db2.gz MQDWTFHPOPOASL-VXGBXAGGSA-N 2 0 241.338 2.196 10 0 BEAERP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038340 384393485 /nfs/dbraw/zinc/39/34/85/384393485.db2.gz JOSLALXYAPVKEH-PWSUYJOCSA-N 2 0 210.365 2.247 10 0 BEAERP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038339 384394242 /nfs/dbraw/zinc/39/42/42/384394242.db2.gz JOSLALXYAPVKEH-JQWIXIFHSA-N 2 0 210.365 2.247 10 0 BEAERP Cn1cc(C[NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000045946160 384414982 /nfs/dbraw/zinc/41/49/82/384414982.db2.gz SXAPYCIGIXXMTN-UHFFFAOYSA-N 2 0 245.370 2.220 10 0 BEAERP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000560966881 384430278 /nfs/dbraw/zinc/43/02/78/384430278.db2.gz XZASZKUNQJKKJF-NWDGAFQWSA-N 2 0 238.400 2.268 10 0 BEAERP FC1(F)CCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335661255 384465424 /nfs/dbraw/zinc/46/54/24/384465424.db2.gz FUDIYVZUMPXCEA-QWRGUYRKSA-N 2 0 232.318 2.154 10 0 BEAERP Cc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1C ZINC000037713396 384513604 /nfs/dbraw/zinc/51/36/04/384513604.db2.gz WSKCMBQDHNUXCM-LBPRGKRZSA-N 2 0 206.333 2.303 10 0 BEAERP C1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591088 384519693 /nfs/dbraw/zinc/51/96/93/384519693.db2.gz KEEGRIMIBOKAII-NEPJUHHUSA-N 2 0 208.349 2.051 10 0 BEAERP C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CC[NH2+]C1 ZINC000335029176 384775603 /nfs/dbraw/zinc/77/56/03/384775603.db2.gz ZCPVQSWZPNWEFR-UWVGGRQHSA-N 2 0 232.318 2.152 10 0 BEAERP C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CC[NH2+]C1 ZINC000335029175 384775964 /nfs/dbraw/zinc/77/59/64/384775964.db2.gz ZCPVQSWZPNWEFR-NXEZZACHSA-N 2 0 232.318 2.152 10 0 BEAERP C[NH+](C)CCC[NH+]1C[C@H]2[C@H](C1)C1CCC2CC1 ZINC000026740818 384792694 /nfs/dbraw/zinc/79/26/94/384792694.db2.gz XIGOUYOYBNFUEG-NEXFUWMNSA-N 2 0 236.403 2.306 10 0 BEAERP c1oc2ccccc2c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000259012734 384957049 /nfs/dbraw/zinc/95/70/49/384957049.db2.gz XTXXHMNIQOODEY-NSHDSACASA-N 2 0 230.311 2.132 10 0 BEAERP CC[C@H](C[NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293964 384893679 /nfs/dbraw/zinc/89/36/79/384893679.db2.gz NDDFXINAVDENOT-ZIAGYGMSSA-N 2 0 232.371 2.379 10 0 BEAERP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000398335599 384930683 /nfs/dbraw/zinc/93/06/83/384930683.db2.gz KGZSPMPTPVGQLC-JHJVBQTASA-N 2 0 210.365 2.012 10 0 BEAERP CCCOc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398348662 385284573 /nfs/dbraw/zinc/28/45/73/385284573.db2.gz YHWQDHUNLPWUHM-AWEZNQCLSA-N 2 0 248.370 2.175 10 0 BEAERP CCN1CCC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178472738 385286036 /nfs/dbraw/zinc/28/60/36/385286036.db2.gz KJLAUFJWZIBWII-AAEUAGOBSA-N 2 0 210.365 2.249 10 0 BEAERP CSCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178315689 385355105 /nfs/dbraw/zinc/35/51/05/385355105.db2.gz WGQJQCOFEHLEIV-LBPRGKRZSA-N 2 0 239.388 2.019 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000259566476 385584794 /nfs/dbraw/zinc/58/47/94/385584794.db2.gz YIFXBZUNIHKGQJ-VIFPVBQESA-N 2 0 219.115 2.342 10 0 BEAERP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[NH3+] ZINC000211682482 385745899 /nfs/dbraw/zinc/74/58/99/385745899.db2.gz ZDTNSAPHMKGVND-SNVBAGLBSA-N 2 0 226.751 2.209 10 0 BEAERP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)CC(F)F ZINC000647801460 385811929 /nfs/dbraw/zinc/81/19/29/385811929.db2.gz WIPGMHICPNIOQZ-UWVGGRQHSA-N 2 0 220.307 2.009 10 0 BEAERP CC(C)CC[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000112530911 385845534 /nfs/dbraw/zinc/84/55/34/385845534.db2.gz KCPMZTNSVSAICQ-AWEZNQCLSA-N 2 0 224.392 2.497 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)C12CCC(CC1)C2 ZINC000335023869 385985586 /nfs/dbraw/zinc/98/55/86/385985586.db2.gz JPZUTESWRDPQTN-ROKHWSDSSA-N 2 0 222.376 2.298 10 0 BEAERP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C)(C)CC1 ZINC000061822637 386541585 /nfs/dbraw/zinc/54/15/85/386541585.db2.gz LFZLMJDUGUNORV-LBPRGKRZSA-N 2 0 212.381 2.482 10 0 BEAERP Cc1ccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)s1 ZINC000062912299 386655701 /nfs/dbraw/zinc/65/57/01/386655701.db2.gz PLNSMMSEMSVYSY-GFCCVEGCSA-N 2 0 224.373 2.146 10 0 BEAERP CC1CCC(C[NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000398378825 386818029 /nfs/dbraw/zinc/81/80/29/386818029.db2.gz GMBWKLLESLGCGB-WXRRBKDZSA-N 2 0 210.365 2.012 10 0 BEAERP COc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1Cl ZINC000575438228 387112516 /nfs/dbraw/zinc/11/25/16/387112516.db2.gz FMFWKLSVMIZZSQ-NSHDSACASA-N 2 0 242.750 2.477 10 0 BEAERP Cc1cc(Cl)ccc1[C@H]([NH3+])CCC[NH3+] ZINC000575438031 387113091 /nfs/dbraw/zinc/11/30/91/387113091.db2.gz AOPHUTKTKIVSDA-LLVKDONJSA-N 2 0 212.724 2.387 10 0 BEAERP COc1ccc(Cl)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575439370 387124164 /nfs/dbraw/zinc/12/41/64/387124164.db2.gz SXNNJZPHVXZDHE-LLVKDONJSA-N 2 0 242.750 2.477 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])cc1C ZINC000575439389 387124647 /nfs/dbraw/zinc/12/46/47/387124647.db2.gz IFRWBXNKBAFDQM-CYBMUJFWSA-N 2 0 206.333 2.432 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1C ZINC000575440062 387127344 /nfs/dbraw/zinc/12/73/44/387127344.db2.gz IFRWBXNKBAFDQM-ZDUSSCGKSA-N 2 0 206.333 2.432 10 0 BEAERP Cc1cc(F)ccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440240 387127411 /nfs/dbraw/zinc/12/74/11/387127411.db2.gz WUVLIZHXZLHEKT-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP Cc1cccc([C@@H]([NH3+])CCCC[NH3+])c1C ZINC000575440165 387127534 /nfs/dbraw/zinc/12/75/34/387127534.db2.gz LVONLQFEROQLEC-ZDUSSCGKSA-N 2 0 206.333 2.432 10 0 BEAERP Cc1ccc(F)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575439998 387127986 /nfs/dbraw/zinc/12/79/86/387127986.db2.gz QTVMICNMKVXRFJ-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP C(C[NH+]1CCCC1)C[N@@H+]1CCCC2(CC2)C1 ZINC000186955932 387155304 /nfs/dbraw/zinc/15/53/04/387155304.db2.gz APKVRWDYSZQSHB-UHFFFAOYSA-N 2 0 222.376 2.348 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000643468321 387418153 /nfs/dbraw/zinc/41/81/53/387418153.db2.gz QBALEEIXAUISHF-NQBHXWOUSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000396897899 387509753 /nfs/dbraw/zinc/50/97/53/387509753.db2.gz AISHFZSFLKIGMW-ZJUUUORDSA-N 2 0 238.297 2.307 10 0 BEAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422745568 387648930 /nfs/dbraw/zinc/64/89/30/387648930.db2.gz MHLBHSKMWQOJKA-NEPJUHHUSA-N 2 0 218.344 2.254 10 0 BEAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1F ZINC000422870446 387750329 /nfs/dbraw/zinc/75/03/29/387750329.db2.gz BRCSRXGONMUBBT-QWRGUYRKSA-N 2 0 236.334 2.393 10 0 BEAERP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CC[NH2+]C1 ZINC000423117566 387898700 /nfs/dbraw/zinc/89/87/00/387898700.db2.gz VYQQMJICQRDZGF-PWSUYJOCSA-N 2 0 246.345 2.400 10 0 BEAERP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400509561 387986549 /nfs/dbraw/zinc/98/65/49/387986549.db2.gz FDUFLECIJQYQFP-HBNTYKKESA-N 2 0 232.318 2.009 10 0 BEAERP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423216049 387997885 /nfs/dbraw/zinc/99/78/85/387997885.db2.gz PJVHTHNBJIYANU-HNGCFSAESA-N 2 0 208.349 2.048 10 0 BEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423274868 388055050 /nfs/dbraw/zinc/05/50/50/388055050.db2.gz MQWAYNSTNBLOMJ-YNEHKIRRSA-N 2 0 222.376 2.426 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393943848 388447352 /nfs/dbraw/zinc/44/73/52/388447352.db2.gz CKUZDPSZJNLYIS-YIYPIFLZSA-N 2 0 222.376 2.391 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC1(C)C ZINC000397606926 388483157 /nfs/dbraw/zinc/48/31/57/388483157.db2.gz ALFFDRXXRKHJGE-IRCOFANPSA-N 2 0 210.365 2.138 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC1(C)C ZINC000397606932 388483365 /nfs/dbraw/zinc/48/33/65/388483365.db2.gz ALFFDRXXRKHJGE-WHOHXGKFSA-N 2 0 210.365 2.138 10 0 BEAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])cc1C ZINC000575438667 388624035 /nfs/dbraw/zinc/62/40/35/388624035.db2.gz MVNKISPUHZMQHF-GFCCVEGCSA-N 2 0 222.332 2.132 10 0 BEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000575439950 388628832 /nfs/dbraw/zinc/62/88/32/388628832.db2.gz ZEIIPPVGKLAWAN-JTQLQIEISA-N 2 0 230.258 2.027 10 0 BEAERP C[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CC[NH2+]C1 ZINC000400505688 533376607 /nfs/dbraw/zinc/37/66/07/533376607.db2.gz DEKGWVJSCRLWDW-ZJUUUORDSA-N 2 0 220.307 2.009 10 0 BEAERP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000400319691 533445363 /nfs/dbraw/zinc/44/53/63/533445363.db2.gz BITJQSSRYSVRQR-KOLCDFICSA-N 2 0 240.297 2.052 10 0 BEAERP [NH3+]CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000044514898 132298231 /nfs/dbraw/zinc/29/82/31/132298231.db2.gz ORVRWSLADAPRRF-UHFFFAOYSA-N 2 0 241.338 2.410 10 0 BEAERP Cc1ccc2[nH+]ccc(N3CCC([NH3+])CC3)c2c1 ZINC000073738614 132303321 /nfs/dbraw/zinc/30/33/21/132303321.db2.gz LSRAWHDTAYPPMK-UHFFFAOYSA-N 2 0 241.338 2.471 10 0 BEAERP C([C@H]1CC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000178996715 134313922 /nfs/dbraw/zinc/31/39/22/134313922.db2.gz AOVURXQPVBVZKA-CYBMUJFWSA-N 2 0 222.376 2.347 10 0 BEAERP CCCn1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000226865288 134370118 /nfs/dbraw/zinc/37/01/18/134370118.db2.gz XTKCTGZYQUFEOM-DZGCQCFKSA-N 2 0 249.402 2.470 10 0 BEAERP [NH3+]C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261533105 135164514 /nfs/dbraw/zinc/16/45/14/135164514.db2.gz QHKINQZWZUBZAM-SNVBAGLBSA-N 2 0 232.318 2.235 10 0 BEAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1CCC(C)CC1 ZINC000261536980 135173300 /nfs/dbraw/zinc/17/33/00/135173300.db2.gz ULIUWVVUIDXIOR-POOIEITISA-N 2 0 210.365 2.234 10 0 BEAERP C[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000261538147 135175818 /nfs/dbraw/zinc/17/58/18/135175818.db2.gz JKMZSRJPSBRKST-LLVKDONJSA-N 2 0 246.345 2.496 10 0 BEAERP CC1CCC(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC000299918631 135382412 /nfs/dbraw/zinc/38/24/12/135382412.db2.gz KKYAMEVBVGJCDL-CVSAEHQPSA-N 2 0 236.403 2.497 10 0 BEAERP C[NH+](C)[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000110535031 397902989 /nfs/dbraw/zinc/90/29/89/397902989.db2.gz YFQFWQSIDNGHON-LBPRGKRZSA-N 2 0 241.338 2.375 10 0 BEAERP C[C@H]1CC([NH2+]C[C@@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000414920562 398098485 /nfs/dbraw/zinc/09/84/85/398098485.db2.gz ZQSUYXAGKQBPFV-IJLUTSLNSA-N 2 0 210.365 2.010 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]12 ZINC000662266471 409564634 /nfs/dbraw/zinc/56/46/34/409564634.db2.gz MDCDQXZFVRURQQ-MELADBBJSA-N 2 0 222.376 2.236 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662266592 409567026 /nfs/dbraw/zinc/56/70/26/409567026.db2.gz NIONPDIVYPISIM-WRWGMCAJSA-N 2 0 246.345 2.337 10 0 BEAERP CC(C)C[NH2+]C[C@H]1CCCN1c1cc[nH+]cc1 ZINC000053697269 167008277 /nfs/dbraw/zinc/00/82/77/167008277.db2.gz MMJQGYWLONNUBG-CQSZACIVSA-N 2 0 233.359 2.296 10 0 BEAERP CC(C)[NH2+]CCCCC[N@H+](C)C1CCOCC1 ZINC000052481239 167102632 /nfs/dbraw/zinc/10/26/32/167102632.db2.gz HZQGKTKDYUHDHE-UHFFFAOYSA-N 2 0 242.407 2.266 10 0 BEAERP CC(C)[NH2+]Cc1ccc(C[NH+](C)C)s1 ZINC000045206484 167119701 /nfs/dbraw/zinc/11/97/01/167119701.db2.gz XKGBKGNDMTXMNQ-UHFFFAOYSA-N 2 0 212.362 2.308 10 0 BEAERP CC(C)OCC[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000049259240 167229636 /nfs/dbraw/zinc/22/96/36/167229636.db2.gz LZNONJKINBDMFU-UHFFFAOYSA-N 2 0 236.359 2.002 10 0 BEAERP CC1CCC([N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000042487838 168158027 /nfs/dbraw/zinc/15/80/27/168158027.db2.gz CTWAHFAJADYRJB-UHFFFAOYSA-N 2 0 210.365 2.249 10 0 BEAERP CC1CC[NH+](C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000058081650 168182631 /nfs/dbraw/zinc/18/26/31/168182631.db2.gz VEBBQEWMYSTPOY-OLZOCXBDSA-N 2 0 210.365 2.236 10 0 BEAERP CC1CC[NH+](C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000058081656 168183151 /nfs/dbraw/zinc/18/31/51/168183151.db2.gz VEBBQEWMYSTPOY-QWHCGFSZSA-N 2 0 210.365 2.236 10 0 BEAERP CCC(C)(C)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049665006 168288304 /nfs/dbraw/zinc/28/83/04/168288304.db2.gz SRKGHOKKZMUNGC-VXGBXAGGSA-N 2 0 212.381 2.352 10 0 BEAERP CC[N@H+](Cc1ccncc1)[C@@H](C)CCC[NH2+]C ZINC000052515019 169926091 /nfs/dbraw/zinc/92/60/91/169926091.db2.gz GUACQXSSHMFZBR-ZDUSSCGKSA-N 2 0 235.375 2.292 10 0 BEAERP CC[NH2+]CCCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104191482 170111839 /nfs/dbraw/zinc/11/18/39/170111839.db2.gz FLHYCYNJZNMUFH-AWEZNQCLSA-N 2 0 242.407 2.125 10 0 BEAERP CC[NH2+]CCCC[N@@H+]1CCc2ccccc2C1 ZINC000052419050 170112668 /nfs/dbraw/zinc/11/26/68/170112668.db2.gz FDZMYNSHRVSOSV-UHFFFAOYSA-N 2 0 232.371 2.434 10 0 BEAERP CC[NH2+]C[C@H](C)C[NH+]1CCC(CC)CC1 ZINC000052346932 170122301 /nfs/dbraw/zinc/12/23/01/170122301.db2.gz MFAVTOZNMVAEEH-LBPRGKRZSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]C[C@H](OCC[NH+]1CCCCC1)C(C)C ZINC000052670617 170122651 /nfs/dbraw/zinc/12/26/51/170122651.db2.gz GALHMWZZGZMGPZ-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+]Cc1cc(C[N@H+](C)CC(C)(C)C)on1 ZINC000052570099 170125716 /nfs/dbraw/zinc/12/57/16/170125716.db2.gz OLWXVSHJOIFEAM-UHFFFAOYSA-N 2 0 239.363 2.262 10 0 BEAERP CC[NH2+]Cc1ccoc1C[NH+](CC)CC ZINC000052378174 170129524 /nfs/dbraw/zinc/12/95/24/170129524.db2.gz GABOABNPPASAET-UHFFFAOYSA-N 2 0 210.321 2.231 10 0 BEAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCCSCC1 ZINC000053879671 170166447 /nfs/dbraw/zinc/16/64/47/170166447.db2.gz ODULMMFCECUKQI-OLZOCXBDSA-N 2 0 242.432 2.204 10 0 BEAERP CCOC1CC[NH+](C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858546 170331976 /nfs/dbraw/zinc/33/19/76/170331976.db2.gz PFARLFLLUMGDNY-JSGCOSHPSA-N 2 0 240.391 2.005 10 0 BEAERP CCOCC[N@H+](CC)CC1(C[NH2+]C)CCCC1 ZINC000104195556 170395115 /nfs/dbraw/zinc/39/51/15/170395115.db2.gz HBRZEJMISVASGF-UHFFFAOYSA-N 2 0 242.407 2.125 10 0 BEAERP [NH3+]CC1CCN(c2nccc3ccccc32)CC1 ZINC000132069679 411755658 /nfs/dbraw/zinc/75/56/58/411755658.db2.gz WFJXKTSSRMJWGW-UHFFFAOYSA-N 2 0 241.338 2.410 10 0 BEAERP CC[C@@H]1CC[N@@H+](C2CCCC2)CCC[NH2+]1 ZINC000049664878 171009133 /nfs/dbraw/zinc/00/91/33/171009133.db2.gz SRRBKDVUDSFVCC-GFCCVEGCSA-N 2 0 210.365 2.393 10 0 BEAERP CC[C@@H]1CO[C@H](C)CN1CCC[NH2+]C(C)(C)C ZINC000042451715 171112847 /nfs/dbraw/zinc/11/28/47/171112847.db2.gz FFCYTIJVKMPRAC-CHWSQXEVSA-N 2 0 242.407 2.264 10 0 BEAERP CC[C@H](C)[N@H+](CC)CC1(C[NH2+]C)CCOCC1 ZINC000052181404 171311706 /nfs/dbraw/zinc/31/17/06/171311706.db2.gz MJUBQVDFXWSFQU-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)CC(CC)(CC)C[NH3+] ZINC000051256508 171315372 /nfs/dbraw/zinc/31/53/72/171315372.db2.gz KWPNHWPRNUNKKP-ZDUSSCGKSA-N 2 0 244.423 2.498 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042581342 171315838 /nfs/dbraw/zinc/31/58/38/171315838.db2.gz YNXWCWFAGZVZMH-MELADBBJSA-N 2 0 242.407 2.393 10 0 BEAERP C[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CCC[NH2+]C1 ZINC000665261702 412204530 /nfs/dbraw/zinc/20/45/30/412204530.db2.gz JWQOWITXRZHGER-MNOVXSKESA-N 2 0 216.344 2.102 10 0 BEAERP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665265672 412209423 /nfs/dbraw/zinc/20/94/23/412209423.db2.gz ZAXVZOXMGIZBLA-GARJFASQSA-N 2 0 232.318 2.009 10 0 BEAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CC[NH2+]C1 ZINC000665267293 412209979 /nfs/dbraw/zinc/20/99/79/412209979.db2.gz UCMDUHIXQMGXLJ-WCQYABFASA-N 2 0 210.365 2.154 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037646905 173117919 /nfs/dbraw/zinc/11/79/19/173117919.db2.gz CEILECQWANEAAE-XJKSGUPXSA-N 2 0 244.382 2.085 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037646904 173147689 /nfs/dbraw/zinc/14/76/89/173147689.db2.gz CEILECQWANEAAE-CZUORRHYSA-N 2 0 244.382 2.085 10 0 BEAERP C[NH2+]C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000130889670 173322911 /nfs/dbraw/zinc/32/29/11/173322911.db2.gz JXQGCKABQROYSM-UHFFFAOYSA-N 2 0 232.371 2.487 10 0 BEAERP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(O)cc2)CC1 ZINC000063158764 173338675 /nfs/dbraw/zinc/33/86/75/173338675.db2.gz LCACKICSHJQFPC-GFCCVEGCSA-N 2 0 248.370 2.385 10 0 BEAERP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1C ZINC000083355109 173348806 /nfs/dbraw/zinc/34/88/06/173348806.db2.gz PXRHBPSIBHHWMG-UHFFFAOYSA-N 2 0 226.751 2.348 10 0 BEAERP C[NH2+]CCOCc1ccc2[nH]c(C3CC3)nc2c1 ZINC000077399924 173356824 /nfs/dbraw/zinc/35/68/24/173356824.db2.gz YWLNRGVUNRSZNW-UHFFFAOYSA-N 2 0 245.326 2.176 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000011892089 173369800 /nfs/dbraw/zinc/36/98/00/173369800.db2.gz MYQDXFSIEQYJAO-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)on1 ZINC000052504410 173386936 /nfs/dbraw/zinc/38/69/36/173386936.db2.gz KLPWEIAMPJJNBQ-JTQLQIEISA-N 2 0 239.363 2.260 10 0 BEAERP C[NH2+]Cc1cc(C[NH+]2CCCCC2)oc1C ZINC000052421191 173387106 /nfs/dbraw/zinc/38/71/06/173387106.db2.gz SRUICRTXGUYEFI-UHFFFAOYSA-N 2 0 222.332 2.293 10 0 BEAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378640 173391874 /nfs/dbraw/zinc/39/18/74/173391874.db2.gz WAWSXHAWCWMEEB-NSHDSACASA-N 2 0 222.332 2.373 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000042368732 174287180 /nfs/dbraw/zinc/28/71/80/174287180.db2.gz VUTXUBNYPNFXCQ-BFHYXJOUSA-N 2 0 242.407 2.107 10 0 BEAERP COCC[N@H+](CCCC[NH2+]C1CC1)CC(C)C ZINC000052508374 174290217 /nfs/dbraw/zinc/29/02/17/174290217.db2.gz HFUMNBLFEQRKKT-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP COCC[N@H+](CCCCCC[NH3+])[C@H](C)C1CC1 ZINC000042689386 174291087 /nfs/dbraw/zinc/29/10/87/174291087.db2.gz GLEFVKPDGYQGKB-CYBMUJFWSA-N 2 0 242.407 2.252 10 0 BEAERP COCC[N@H+](C[C@H](C)C[NH2+]C(C)(C)C)C1CC1 ZINC000052542391 174298021 /nfs/dbraw/zinc/29/80/21/174298021.db2.gz YWTRNRCAURVQGP-GFCCVEGCSA-N 2 0 242.407 2.121 10 0 BEAERP COCC[NH2+]CCCC[NH+]1CCCCCCC1 ZINC000053498952 174332543 /nfs/dbraw/zinc/33/25/43/174332543.db2.gz PTMXRGLFCJJRMG-UHFFFAOYSA-N 2 0 242.407 2.269 10 0 BEAERP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC000042427410 175259620 /nfs/dbraw/zinc/25/96/20/175259620.db2.gz ZMPJNYHXFVCQHX-TZMCWYRMSA-N 2 0 248.370 2.254 10 0 BEAERP COc1ccccc1[C@@H](CC[NH3+])C[NH+]1CCCC1 ZINC000076634827 175346160 /nfs/dbraw/zinc/34/61/60/175346160.db2.gz BTJXCNYMBTVARZ-ZDUSSCGKSA-N 2 0 248.370 2.223 10 0 BEAERP COc1ccccc1[C@@H](CCC[NH3+])[NH+](C)C ZINC000019673903 175346455 /nfs/dbraw/zinc/34/64/55/175346455.db2.gz QFGODFRTBNWTRY-GFCCVEGCSA-N 2 0 222.332 2.037 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1cc2ccccc2o1 ZINC000037713398 175875390 /nfs/dbraw/zinc/87/53/90/175875390.db2.gz MJLOHNXTQXZTQT-SNVBAGLBSA-N 2 0 218.300 2.432 10 0 BEAERP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000334854426 176051090 /nfs/dbraw/zinc/05/10/90/176051090.db2.gz MXRGYIRBIBGOLL-VXGBXAGGSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2cccnc2C[NH3+])CC1 ZINC000104347494 176101935 /nfs/dbraw/zinc/10/19/35/176101935.db2.gz YYRVMEFURZKICT-GFCCVEGCSA-N 2 0 233.359 2.162 10 0 BEAERP C[C@@H]1CCC[N@@H+]1CCCOc1cccc(C[NH3+])c1 ZINC000037910101 176107953 /nfs/dbraw/zinc/10/79/53/176107953.db2.gz OXERMBLINZYUPH-CYBMUJFWSA-N 2 0 248.370 2.399 10 0 BEAERP C[C@@H]1CCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000051205607 176108083 /nfs/dbraw/zinc/10/80/83/176108083.db2.gz GZJIBNFVKQZHSU-GFCCVEGCSA-N 2 0 210.365 2.380 10 0 BEAERP C[C@@H]1CCC[N@@H+]1CCOc1cccc(C[NH3+])c1 ZINC000038000061 176108253 /nfs/dbraw/zinc/10/82/53/176108253.db2.gz SMLNHNFZEYHQJL-GFCCVEGCSA-N 2 0 234.343 2.008 10 0 BEAERP C[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH2+]CC2)C1 ZINC000042493390 176120733 /nfs/dbraw/zinc/12/07/33/176120733.db2.gz ABOAHFDVBCZSAG-DGCLKSJQSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2cc(C[NH3+])co2)[C@H](C)C1 ZINC000052510140 176174829 /nfs/dbraw/zinc/17/48/29/176174829.db2.gz YTMORSMBLUYIDG-GHMZBOCLSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)Cc2cccnc2)C1 ZINC000036770830 176201976 /nfs/dbraw/zinc/20/19/76/176201976.db2.gz RRQKZZHCRBCWNX-VHDGCEQUSA-N 2 0 247.386 2.277 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000042427282 176202108 /nfs/dbraw/zinc/20/21/08/176202108.db2.gz MGADHQSYXNFFFM-NEPJUHHUSA-N 2 0 236.334 2.385 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000036777090 176202708 /nfs/dbraw/zinc/20/27/08/176202708.db2.gz UEMGKOSDFILOKV-VNHYZAJKSA-N 2 0 247.386 2.277 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000042427368 176224118 /nfs/dbraw/zinc/22/41/18/176224118.db2.gz SHIOOIDCYVGEGV-UKRRQHHQSA-N 2 0 232.371 2.288 10 0 BEAERP C[C@@H]1C[NH2+][C@H](c2cccc(OCC[NH+](C)C)c2)C1 ZINC000003705164 176331130 /nfs/dbraw/zinc/33/11/30/176331130.db2.gz CSDMOHBAUMDQQY-WFASDCNBSA-N 2 0 248.370 2.298 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000053860471 176361754 /nfs/dbraw/zinc/36/17/54/176361754.db2.gz JCMILBPCTUUGHV-NDBYEHHHSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C[NH3+])co2)C1 ZINC000052420759 176362113 /nfs/dbraw/zinc/36/21/13/176362113.db2.gz SXKUSLNGRVOAEM-GHMZBOCLSA-N 2 0 222.332 2.216 10 0 BEAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccsc1 ZINC000049713599 176371603 /nfs/dbraw/zinc/37/16/03/176371603.db2.gz NXYDQHHFOQCQHP-PWSUYJOCSA-N 2 0 224.373 2.102 10 0 BEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019480605 177076112 /nfs/dbraw/zinc/07/61/12/177076112.db2.gz HFGQBOPDJPMFRX-JTQLQIEISA-N 2 0 249.333 2.484 10 0 BEAERP C[C@H]1CCC[N@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482378 177097069 /nfs/dbraw/zinc/09/70/69/177097069.db2.gz CYCMNDPORZCZRL-HIFPTAJRSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052373393 177100512 /nfs/dbraw/zinc/10/05/12/177100512.db2.gz MNVKJJMTJIJLCW-WDEREUQCSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@H]1CCC[N@H+](Cc2ccccc2C(N)=[NH2+])C1 ZINC000019482601 177102595 /nfs/dbraw/zinc/10/25/95/177102595.db2.gz PGAUOVSCCGOQKZ-NSHDSACASA-N 2 0 231.343 2.203 10 0 BEAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCn1ccnc1 ZINC000041041890 177113873 /nfs/dbraw/zinc/11/38/73/177113873.db2.gz JQGSLULKYYFEEN-FUNVUKJBSA-N 2 0 221.348 2.297 10 0 BEAERP C[C@H]1CCC[C@H](C)C1[NH+]1CCC([NH3+])CC1 ZINC000034958705 177129521 /nfs/dbraw/zinc/12/95/21/177129521.db2.gz TZUKKZHRDAMJLN-QWRGUYRKSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@H]1CC[N@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000051249963 177159020 /nfs/dbraw/zinc/15/90/20/177159020.db2.gz DOZWUAMBRFMSNE-LBPRGKRZSA-N 2 0 210.365 2.237 10 0 BEAERP C[C@@H]1CC[N@@H+](CCc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666860 177162091 /nfs/dbraw/zinc/16/20/91/177162091.db2.gz YLZNTTHRWOLEFY-OKILXGFUSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@H]1CC[NH+](CCc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666861 177162451 /nfs/dbraw/zinc/16/24/51/177162451.db2.gz YLZNTTHRWOLEFY-KBPBESRZSA-N 2 0 247.386 2.087 10 0 BEAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1occc1C[NH3+] ZINC000052509995 177168805 /nfs/dbraw/zinc/16/88/05/177168805.db2.gz LYNDXDOLHBKPAN-WDEREUQCSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000044412933 177201038 /nfs/dbraw/zinc/20/10/38/177201038.db2.gz XIPMFJXMWYKXRY-WCQYABFASA-N 2 0 236.334 2.385 10 0 BEAERP C[C@H]1C[N@@H+](C2(C)CCCCC2)CC[C@@H]1[NH3+] ZINC000045046028 177240774 /nfs/dbraw/zinc/24/07/74/177240774.db2.gz IENSCRYGFMSYRS-RYUDHWBXSA-N 2 0 210.365 2.378 10 0 BEAERP C[C@H]1C[NH2+]CC[N@H+](CCCc2ccccc2)C1 ZINC000049662215 177282515 /nfs/dbraw/zinc/28/25/15/177282515.db2.gz TVIDWWTYUFPIQP-AWEZNQCLSA-N 2 0 232.371 2.161 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCc2ccccc2)C1 ZINC000049664784 177285240 /nfs/dbraw/zinc/28/52/40/177285240.db2.gz ZLVXTJRIKIOLQQ-GJZGRUSLSA-N 2 0 246.398 2.407 10 0 BEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C2CCCC2)C1 ZINC000049664908 177285382 /nfs/dbraw/zinc/28/53/82/177285382.db2.gz WGLNXLUHZJMZDZ-RYUDHWBXSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H](c1ccncc1)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666710 177285849 /nfs/dbraw/zinc/28/58/49/177285849.db2.gz SDDNYLIZGCKNPZ-MJBXVCDLSA-N 2 0 247.386 2.320 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+](C2(CN)CCSCC2)C1 ZINC000042334930 177312195 /nfs/dbraw/zinc/31/21/95/177312195.db2.gz KKYQCKGOMAFVQP-TXEJJXNPSA-N 2 0 242.432 2.189 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH3+])CCCC2)C1 ZINC000051206885 177313540 /nfs/dbraw/zinc/31/35/40/177313540.db2.gz PTTVWLKUNQEDRG-BETUJISGSA-N 2 0 224.392 2.483 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000019508102 177314977 /nfs/dbraw/zinc/31/49/77/177314977.db2.gz JIIBARCNVLBQFN-TXEJJXNPSA-N 2 0 245.370 2.449 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019437739 177315516 /nfs/dbraw/zinc/31/55/16/177315516.db2.gz QLGJFWDQAYYTID-TXEJJXNPSA-N 2 0 245.370 2.449 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@H]1[NH3+] ZINC000068592727 177326973 /nfs/dbraw/zinc/32/69/73/177326973.db2.gz NJDHZADSNKQAJW-MBNYWOFBSA-N 2 0 218.344 2.244 10 0 BEAERP C[C@H]1C[C@@H]([NH2+]CCc2ccsc2)CC[N@@H+]1C ZINC000122954343 177332583 /nfs/dbraw/zinc/33/25/83/177332583.db2.gz TYJWKBLICMHHOE-AAEUAGOBSA-N 2 0 238.400 2.363 10 0 BEAERP C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000104417758 177379085 /nfs/dbraw/zinc/37/90/85/177379085.db2.gz QZRGMMZHJWNMSG-GWCFXTLKSA-N 2 0 236.334 2.372 10 0 BEAERP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245475 177514775 /nfs/dbraw/zinc/51/47/75/177514775.db2.gz DCNUYUVYONCGTN-LBPRGKRZSA-N 2 0 243.354 2.257 10 0 BEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400474737 226344462 /nfs/dbraw/zinc/34/44/62/226344462.db2.gz ZJOJOBBVVIHMFF-JSGCOSHPSA-N 2 0 218.344 2.083 10 0 BEAERP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000398074226 262714211 /nfs/dbraw/zinc/71/42/11/262714211.db2.gz KKKPFGNLGQAELN-WXHSDQCUSA-N 2 0 210.365 2.282 10 0 BEAERP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000309049212 229311453 /nfs/dbraw/zinc/31/14/53/229311453.db2.gz ONMOOMJVCIEUJZ-FVCCEPFGSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251796049 487797861 /nfs/dbraw/zinc/79/78/61/487797861.db2.gz XEWVDQRFHJEKEU-MDZLAQPJSA-N 2 0 238.400 2.396 10 0 BEAERP CCSCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000570624405 323064807 /nfs/dbraw/zinc/06/48/07/323064807.db2.gz LYDOXDGNPSHXNS-RYUDHWBXSA-N 2 0 230.421 2.107 10 0 BEAERP CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669324 323177056 /nfs/dbraw/zinc/17/70/56/323177056.db2.gz GNAFTAHDJRBWNB-NWDGAFQWSA-N 2 0 230.421 2.106 10 0 BEAERP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400341630 324166690 /nfs/dbraw/zinc/16/66/90/324166690.db2.gz HPNLABYFWAXZNR-FRRDWIJNSA-N 2 0 248.370 2.344 10 0 BEAERP C1=CC[C@@H](CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000530218259 324535771 /nfs/dbraw/zinc/53/57/71/324535771.db2.gz KYJILYARMYOTIU-ZIAGYGMSSA-N 2 0 222.376 2.465 10 0 BEAERP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000131682431 325176999 /nfs/dbraw/zinc/17/69/99/325176999.db2.gz NGGHXHZUPPIFAV-ZIAGYGMSSA-N 2 0 242.407 2.123 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567579841 326221748 /nfs/dbraw/zinc/22/17/48/326221748.db2.gz KLNKPRACJOQONU-TUAOUCFPSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000567645828 326237932 /nfs/dbraw/zinc/23/79/32/326237932.db2.gz AUCGHNNWGBKXIZ-VHSXEESVSA-N 2 0 238.297 2.307 10 0 BEAERP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084220734 488038848 /nfs/dbraw/zinc/03/88/48/488038848.db2.gz MUNGLKRJUGMNFX-RAIGVLPGSA-N 2 0 238.400 2.396 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]12 ZINC000403658579 488131552 /nfs/dbraw/zinc/13/15/52/488131552.db2.gz SKHFAKUZTWFXGN-PLJUSGQGSA-N 2 0 234.387 2.092 10 0 BEAERP CC(C)(CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000406020569 487494384 /nfs/dbraw/zinc/49/43/84/487494384.db2.gz DKRSTCGEYFGTAR-FPMFFAJLSA-N 2 0 236.403 2.482 10 0 BEAERP C[C@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@H]1[NH3+] ZINC000405955619 487497579 /nfs/dbraw/zinc/49/75/79/487497579.db2.gz KGCOENBVLGRLOC-CMPLNLGQSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]([NH3+])CC[NH2+]CC(C)(C)c1ccccc1 ZINC000258840831 488138308 /nfs/dbraw/zinc/13/83/08/488138308.db2.gz WCYRLPRCKNYLLK-GFCCVEGCSA-N 2 0 220.360 2.291 10 0 BEAERP C[C@H](C[NH3+])CNc1cc[nH+]c2ccccc12 ZINC000083387598 490229559 /nfs/dbraw/zinc/22/95/59/490229559.db2.gz LZVCOJLKRDQWIC-SNVBAGLBSA-N 2 0 215.300 2.242 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123915343 490269969 /nfs/dbraw/zinc/26/99/69/490269969.db2.gz GUIOVURNPKBSCV-GFCCVEGCSA-N 2 0 230.355 2.174 10 0 BEAERP CCC(CC)C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000130419477 490385056 /nfs/dbraw/zinc/38/50/56/490385056.db2.gz IAYFZZWJWRPWBU-GFCCVEGCSA-N 2 0 200.370 2.386 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123910058 491121166 /nfs/dbraw/zinc/12/11/66/491121166.db2.gz KAPBVEGJVGKBKW-LBPRGKRZSA-N 2 0 230.355 2.317 10 0 BEAERP CCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757126541 582501303 /nfs/dbraw/zinc/50/13/03/582501303.db2.gz GCLUMCHJSSWNID-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2ccccc2)[NH2+]1 ZINC000757218685 582563880 /nfs/dbraw/zinc/56/38/80/582563880.db2.gz WQSPSONBJHHWCN-UNJBNNCHSA-N 2 0 218.344 2.321 10 0 BEAERP C[C@H]([NH2+]CCC(C)(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400515312 533839622 /nfs/dbraw/zinc/83/96/22/533839622.db2.gz MVUVOGVXBNSTCG-RYUDHWBXSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400437786 533843565 /nfs/dbraw/zinc/84/35/65/533843565.db2.gz LQCXUUUTKTTXIQ-WCQYABFASA-N 2 0 210.365 2.154 10 0 BEAERP CCCC[N@@H+]1CC[C@H]([NH2+]C2CC2)C[C@H]1C ZINC000252475091 520597011 /nfs/dbraw/zinc/59/70/11/520597011.db2.gz SMBBDDCAEVIFFW-YPMHNXCESA-N 2 0 210.365 2.391 10 0 BEAERP Cc1csc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400412091 534819061 /nfs/dbraw/zinc/81/90/61/534819061.db2.gz UEOAAQRHMPJXTG-MNOVXSKESA-N 2 0 224.373 2.144 10 0 BEAERP CC(C)C(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400406977 527571563 /nfs/dbraw/zinc/57/15/63/527571563.db2.gz RXKLTUFGWJXHTC-RYUDHWBXSA-N 2 0 212.381 2.256 10 0 BEAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400744763 529312147 /nfs/dbraw/zinc/31/21/47/529312147.db2.gz UGJZIOLDSUREOJ-LPWJVIDDSA-N 2 0 210.365 2.153 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH+](CC)CC)[C@@H](C)C1 ZINC000226858327 534958436 /nfs/dbraw/zinc/95/84/36/534958436.db2.gz XFKDNNXXXRQXHS-STQMWFEESA-N 2 0 212.381 2.449 10 0 BEAERP CCC([NH3+])(CC)C[NH2+]CC1(CC)CCOCC1 ZINC000261545949 535193917 /nfs/dbraw/zinc/19/39/17/535193917.db2.gz GLTHHHRVIRGNRK-UHFFFAOYSA-N 2 0 242.407 2.300 10 0 BEAERP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074204368 582497224 /nfs/dbraw/zinc/49/72/24/582497224.db2.gz YVHHPBHDNOEETG-CHWSQXEVSA-N 2 0 204.317 2.089 10 0 BEAERP CCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757126536 582501492 /nfs/dbraw/zinc/50/14/92/582501492.db2.gz GCLUMCHJSSWNID-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128204 582503373 /nfs/dbraw/zinc/50/33/73/582503373.db2.gz JMVFACMNFOHGFJ-JSGCOSHPSA-N 2 0 222.376 2.251 10 0 BEAERP CC[C@H]1CC[NH2+]C2(CC[NH+](CC(C)C)CC2)O1 ZINC000757138981 582518645 /nfs/dbraw/zinc/51/86/45/582518645.db2.gz DWKNFBGVOFRFOG-ZDUSSCGKSA-N 2 0 240.391 2.223 10 0 BEAERP C[NH+]1CCC2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757151185 582535456 /nfs/dbraw/zinc/53/54/56/582535456.db2.gz QBMJSXOZHYIETH-UHFFFAOYSA-N 2 0 238.375 2.121 10 0 BEAERP [NH3+]C[C@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757220421 582563129 /nfs/dbraw/zinc/56/31/29/582563129.db2.gz ZEBOMRMDUMCHEW-GWCFXTLKSA-N 2 0 229.327 2.167 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@@H](C)C1 ZINC000757218722 582563298 /nfs/dbraw/zinc/56/32/98/582563298.db2.gz VXYXAFQBRSUKEJ-COPLHBTASA-N 2 0 218.344 2.452 10 0 BEAERP CCC1(C)CC[NH+](C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000675053858 583928792 /nfs/dbraw/zinc/92/87/92/583928792.db2.gz OIPJBCMBXCJBIS-HAQNSBGRSA-N 2 0 210.365 2.236 10 0 BEAERP CCOCCC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757123990 586426048 /nfs/dbraw/zinc/42/60/48/586426048.db2.gz BELULRICDQELPM-KGLIPLIRSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@@H](C1CCC1)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757134951 586427067 /nfs/dbraw/zinc/42/70/67/586427067.db2.gz XMVSXJASBRFZMI-LBPRGKRZSA-N 2 0 222.376 2.393 10 0 BEAERP CC(C)[C@@H]1OC2(CC[NH+](C)CC2)[NH2+]CC1(C)C ZINC000757138738 586427357 /nfs/dbraw/zinc/42/73/57/586427357.db2.gz DFNJHTYAYZOWPG-LBPRGKRZSA-N 2 0 240.391 2.079 10 0 BEAERP C[C@H]1[NH2+]CCC[C@@H]1c1cccc(C[NH3+])c1 ZINC000757208448 586437733 /nfs/dbraw/zinc/43/77/33/586437733.db2.gz CTCLSMKDQPZGJL-MFKMUULPSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccsc2)[NH2+]1 ZINC000757219089 586442142 /nfs/dbraw/zinc/44/21/42/586442142.db2.gz YBOQIHCDELCXDE-KKZNHRDASA-N 2 0 210.346 2.136 10 0 BEAERP [NH3+]CC[C@H]1CC[C@@H](c2ccsc2)[NH2+]C1 ZINC000757218864 586442271 /nfs/dbraw/zinc/44/22/71/586442271.db2.gz XHHVHPZFYMBDDS-KOLCDFICSA-N 2 0 210.346 2.138 10 0 BEAERP [NH3+]C[C@@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220392 586442357 /nfs/dbraw/zinc/44/23/57/586442357.db2.gz YYVNISUQRPKWES-GXFFZTMASA-N 2 0 229.327 2.167 10 0 BEAERP [NH3+][C@@H]1CC[NH2+]C[C@H]1c1cscc1C(F)F ZINC000757234730 586443036 /nfs/dbraw/zinc/44/30/36/586443036.db2.gz LUIPONUDDQMSTF-IMTBSYHQSA-N 2 0 232.299 2.090 10 0 BEAERP C[C@@H]1C[C@@H](c2cccc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000757233059 586443446 /nfs/dbraw/zinc/44/34/46/586443446.db2.gz JMMAPUJBDVGIOW-YPMHNXCESA-N 2 0 230.355 2.188 10 0 BEAERP [NH3+]C[C@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757237015 586443840 /nfs/dbraw/zinc/44/38/40/586443840.db2.gz PCLCTBSNIHTMNJ-JGVFFNPUSA-N 2 0 246.326 2.338 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250770552 635494920 /nfs/dbraw/zinc/49/49/20/635494920.db2.gz UTUQLICAIZRQDS-QEJZJMRPSA-N 2 0 230.355 2.084 10 0 BEAERP CSC1(C[NH2+]C2CC[NH2+]CC2)CCCCC1 ZINC000235220877 635568667 /nfs/dbraw/zinc/56/86/67/635568667.db2.gz BAOSPAWFKONAEH-UHFFFAOYSA-N 2 0 242.432 2.394 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000235145390 632072752 /nfs/dbraw/zinc/07/27/52/632072752.db2.gz XRXDMAWNMVJLSG-MMVSWEMESA-N 2 0 228.405 2.130 10 0 BEAERP CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)C ZINC000328572140 633778253 /nfs/dbraw/zinc/77/82/53/633778253.db2.gz UFFRBOJIUIGXHE-VZKILSJISA-N 2 0 222.376 2.007 10 0 BEAERP CCCCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000134208649 711491475 /nfs/dbraw/zinc/49/14/75/711491475.db2.gz LXBYDYCJZDIIMM-CHWSQXEVSA-N 2 0 212.381 2.483 10 0 BEAERP CC(C)CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000113411915 641316390 /nfs/dbraw/zinc/31/63/90/641316390.db2.gz SRHLKEACLMJGDD-OLZOCXBDSA-N 2 0 224.392 2.352 10 0 BEAERP C[N@H+](CCCCCCC[NH3+])C[C@@H]1CCCO1 ZINC000042466550 641551125 /nfs/dbraw/zinc/55/11/25/641551125.db2.gz YSFQAWKFTHNHOW-ZDUSSCGKSA-N 2 0 228.380 2.006 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000319400485 641604167 /nfs/dbraw/zinc/60/41/67/641604167.db2.gz MBPWGJACSGWZFW-LBPRGKRZSA-N 2 0 210.365 2.106 10 0 BEAERP C[NH+]1CCC(C[NH2+][C@H]2COc3ccccc32)CC1 ZINC000070528489 643033630 /nfs/dbraw/zinc/03/36/30/643033630.db2.gz ORQCZLDUHWRRMQ-AWEZNQCLSA-N 2 0 246.354 2.052 10 0 BEAERP CC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132755 643257898 /nfs/dbraw/zinc/25/78/98/643257898.db2.gz RRODXZYTRSHGBL-RWMBFGLXSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757135980 643277628 /nfs/dbraw/zinc/27/76/28/643277628.db2.gz XACUXOUIISFKRV-YPMHNXCESA-N 2 0 208.349 2.003 10 0 BEAERP C[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000051746334 643325598 /nfs/dbraw/zinc/32/55/98/643325598.db2.gz KHIKIQKNWPXPSX-VXGBXAGGSA-N 2 0 210.365 2.249 10 0 BEAERP CCC[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757149687 643336558 /nfs/dbraw/zinc/33/65/58/643336558.db2.gz WSGHZVIRVSLDIS-GFCCVEGCSA-N 2 0 238.375 2.120 10 0 BEAERP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCOC1 ZINC000723990160 711551696 /nfs/dbraw/zinc/55/16/96/711551696.db2.gz XTLWXFPUALAVIV-GFJIZPEISA-N 2 0 240.391 2.051 10 0 BEAERP C[C@@H]([NH2+]CCC1CC=CC1)[C@H]1CCC[NH2+]C1 ZINC000724184557 711567544 /nfs/dbraw/zinc/56/75/44/711567544.db2.gz KMXRJLLSULXLKH-OCCSQVGLSA-N 2 0 222.376 2.320 10 0 BEAERP C[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C(C)(C)C ZINC000711184779 712288326 /nfs/dbraw/zinc/28/83/26/712288326.db2.gz RDTGCTZAKNKXCZ-XSRFYTQQSA-N 2 0 210.365 2.092 10 0 BEAERP C[C@@H]([NH2+]CCCCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000716371099 712557113 /nfs/dbraw/zinc/55/71/13/712557113.db2.gz VTEUHMFNQDMLHP-DGCLKSJQSA-N 2 0 210.365 2.154 10 0 BEAERP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000037484262 712650692 /nfs/dbraw/zinc/65/06/92/712650692.db2.gz VUNBDXXBGGGNBL-CHWSQXEVSA-N 2 0 212.381 2.354 10 0 BEAERP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000133084078 710967445 /nfs/dbraw/zinc/96/74/45/710967445.db2.gz MNOXUMAHZZXGNV-VXGBXAGGSA-N 2 0 212.381 2.339 10 0 BEAERP CCC1([NH3+])CCN(c2cc[nH+]cc2C)CC1 ZINC000714752722 711521984 /nfs/dbraw/zinc/52/19/84/711521984.db2.gz ZCSVPMBJIIWROG-UHFFFAOYSA-N 2 0 219.332 2.098 10 0 BEAERP Cc1cnc(C[NH2+][C@H](C)CCCC[NH3+])c(C)c1 ZINC000724040628 711557469 /nfs/dbraw/zinc/55/74/69/711557469.db2.gz DCHHVHFTYSTZLM-CYBMUJFWSA-N 2 0 235.375 2.306 10 0 BEAERP CSC1CC([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000706932141 712161534 /nfs/dbraw/zinc/16/15/34/712161534.db2.gz ZDMMFELLJGXPPF-QFWMXSHPSA-N 2 0 242.432 2.200 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709855609 712229734 /nfs/dbraw/zinc/22/97/34/712229734.db2.gz RMBZKCPFGUCQMB-IVZWLZJFSA-N 2 0 238.297 2.100 10 0 BEAERP CO[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000710765678 712256535 /nfs/dbraw/zinc/25/65/35/712256535.db2.gz SCUGPKOVDFPJBL-DYEKYZERSA-N 2 0 242.407 2.107 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000711053685 712277496 /nfs/dbraw/zinc/27/74/96/712277496.db2.gz WHARJRUXWAUHHY-QNWHQSFQSA-N 2 0 242.432 2.248 10 0 BEAERP C=C/C=C\CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000713735593 712470825 /nfs/dbraw/zinc/47/08/25/712470825.db2.gz PVWRQKWSDKOBDA-DSYXLKISSA-N 2 0 208.349 2.193 10 0 BEAERP CC[C@@H](C1CC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753964 712497702 /nfs/dbraw/zinc/49/77/02/712497702.db2.gz ODSSXUPYDLIIEY-LBPRGKRZSA-N 2 0 210.365 2.378 10 0 BEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]12 ZINC000714918446 712499768 /nfs/dbraw/zinc/49/97/68/712499768.db2.gz CXNHTQZAIQPZMN-GZBLMMOJSA-N 2 0 234.387 2.092 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]12 ZINC000714847563 712501822 /nfs/dbraw/zinc/50/18/22/712501822.db2.gz CXNHTQZAIQPZMN-NIFZNCRKSA-N 2 0 234.387 2.092 10 0 BEAERP C[C@@H]([NH2+]CCCCC1CC1)[C@H]1CC[NH2+]C1 ZINC000716371102 712556911 /nfs/dbraw/zinc/55/69/11/712556911.db2.gz VTEUHMFNQDMLHP-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000716551962 712563493 /nfs/dbraw/zinc/56/34/93/712563493.db2.gz NTGUKYXNEUJHQF-LWGJEFJTSA-N 2 0 236.403 2.256 10 0 BEAERP C[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000037478497 712648305 /nfs/dbraw/zinc/64/83/05/712648305.db2.gz XUXAOKKYWJRTCR-UHFFFAOYSA-N 2 0 218.344 2.261 10 0 BEAERP C[C@H]([NH2+]C1CCC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000718016401 712736775 /nfs/dbraw/zinc/73/67/75/712736775.db2.gz BDIPXOQUOXSSJZ-NWDGAFQWSA-N 2 0 208.349 2.073 10 0 BEAERP C[N@H+](CCCC(C)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000718570163 712774984 /nfs/dbraw/zinc/77/49/84/712774984.db2.gz IUZUKDAEDCCHIE-NSHDSACASA-N 2 0 234.334 2.496 10 0 BEAERP CSC1CCC(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000720558306 712850709 /nfs/dbraw/zinc/85/07/09/712850709.db2.gz QSUKQQKTHPOUAX-UHFFFAOYSA-N 2 0 242.432 2.250 10 0 BEAERP Cc1cccc(NCC[C@@H]2C[NH2+]C[C@H]2C)[nH+]1 ZINC000721072760 712890072 /nfs/dbraw/zinc/89/00/72/712890072.db2.gz ISWOLVATZZNZOH-ZYHUDNBSSA-N 2 0 219.332 2.048 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123591965 961362322 /nfs/dbraw/zinc/36/23/22/961362322.db2.gz KDWUBBSIAJCQIP-SNVBAGLBSA-N 2 0 238.297 2.260 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCC(C)CC2 ZINC000685954159 538899080 /nfs/dbraw/zinc/89/90/80/538899080.db2.gz LNZDWRJOCUOREM-OTTFEQOBSA-N 2 0 210.365 2.377 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953003 538896315 /nfs/dbraw/zinc/89/63/15/538896315.db2.gz FHOVGWHXAYXIOA-SNVBAGLBSA-N 2 0 232.318 2.376 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C12C[C@@H](C)C[C@H](C)C2 ZINC000685953105 538897148 /nfs/dbraw/zinc/89/71/48/538897148.db2.gz GBUWERBLNYSNPA-SRVKXCTJSA-N 2 0 210.365 2.234 10 0 BEAERP CCC(CC)(C[NH2+]C)C[N@H+](C)C1CCOCC1 ZINC000051218289 168325139 /nfs/dbraw/zinc/32/51/39/168325139.db2.gz AGKHSWNGGYKVRM-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP CCC(CC)(C[NH2+]C)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061934232 168325513 /nfs/dbraw/zinc/32/55/13/168325513.db2.gz MMLJKOXVEYPYSH-ZDUSSCGKSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000378712576 346812477 /nfs/dbraw/zinc/81/24/77/346812477.db2.gz VDUPWUSEVQNAQH-YIYPIFLZSA-N 2 0 224.392 2.495 10 0 BEAERP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000049686694 178021861 /nfs/dbraw/zinc/02/18/61/178021861.db2.gz XIDDBEJZAZIJHQ-LBPRGKRZSA-N 2 0 238.400 2.406 10 0 BEAERP C[C@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1ccccc1 ZINC000307604086 398179403 /nfs/dbraw/zinc/17/94/03/398179403.db2.gz VFNPCQNJSROIDE-JSGCOSHPSA-N 2 0 218.344 2.022 10 0 BEAERP CCC1([N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000536954526 398198515 /nfs/dbraw/zinc/19/85/15/398198515.db2.gz NUDQZARQWZVUMF-LBPRGKRZSA-N 2 0 210.365 2.251 10 0 BEAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)CC(F)F ZINC000647801180 398207923 /nfs/dbraw/zinc/20/79/23/398207923.db2.gz QGFMZSBJHBMJCY-XNWIYYODSA-N 2 0 220.307 2.137 10 0 BEAERP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749295 168353821 /nfs/dbraw/zinc/35/38/21/168353821.db2.gz JCPPAAWYFVHPFN-YHWZYXNKSA-N 2 0 210.365 2.377 10 0 BEAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381596800 398265971 /nfs/dbraw/zinc/26/59/71/398265971.db2.gz FPLNFIPFJYBLPA-NEPJUHHUSA-N 2 0 246.345 2.353 10 0 BEAERP CCC(CC)[N@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000042681756 168374131 /nfs/dbraw/zinc/37/41/31/168374131.db2.gz WOEIOCRKWWGUKI-CYBMUJFWSA-N 2 0 244.423 2.497 10 0 BEAERP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690693 398269586 /nfs/dbraw/zinc/26/95/86/398269586.db2.gz NKWPOQMYGBDPDQ-NEPJUHHUSA-N 2 0 246.345 2.483 10 0 BEAERP CCC(CC)[N@@H+](CCOC)C[C@H]([NH3+])[C@H](C)CC ZINC000042681731 168374693 /nfs/dbraw/zinc/37/46/93/168374693.db2.gz WLQAXXKLRPTPLT-OCCSQVGLSA-N 2 0 244.423 2.497 10 0 BEAERP CCC(CC)[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049664939 168375717 /nfs/dbraw/zinc/37/57/17/168375717.db2.gz SZCNOSCRGHIBAZ-RYUDHWBXSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@H](C[NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000010435491 342836106 /nfs/dbraw/zinc/83/61/06/342836106.db2.gz QCMASUYXEVDFSD-CYBMUJFWSA-N 2 0 232.371 2.379 10 0 BEAERP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400765510 529654728 /nfs/dbraw/zinc/65/47/28/529654728.db2.gz ZCTUKFAUXRWUQC-WDEREUQCSA-N 2 0 238.400 2.398 10 0 BEAERP CC[NH+](CC)[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]12 ZINC000584881464 343082334 /nfs/dbraw/zinc/08/23/34/343082334.db2.gz JCGFRKQGIOOYFC-FRRDWIJNSA-N 2 0 210.365 2.249 10 0 BEAERP CC[NH+](CC)CCCn1c(N)[nH+]c2ccccc21 ZINC000013675157 343100794 /nfs/dbraw/zinc/10/07/94/343100794.db2.gz UVXISWNPIOAPIG-UHFFFAOYSA-N 2 0 246.358 2.350 10 0 BEAERP C[NH2+]CCCC[N@H+](C)Cc1ccccc1 ZINC000037477887 343144117 /nfs/dbraw/zinc/14/41/17/343144117.db2.gz YAHITYRZVJYQLP-UHFFFAOYSA-N 2 0 206.333 2.118 10 0 BEAERP C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400362213 259354009 /nfs/dbraw/zinc/35/40/09/259354009.db2.gz DLNFJEIOBWPIKY-MFKMUULPSA-N 2 0 222.376 2.010 10 0 BEAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215031814 344415567 /nfs/dbraw/zinc/41/55/67/344415567.db2.gz SBMNZDBVNSNVFX-QMMMGPOBSA-N 2 0 230.714 2.479 10 0 BEAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400338065 344494691 /nfs/dbraw/zinc/49/46/91/344494691.db2.gz DUSOGIQJSVDFEE-RYUDHWBXSA-N 2 0 212.381 2.400 10 0 BEAERP CCC[C@H](C)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553622 344653276 /nfs/dbraw/zinc/65/32/76/344653276.db2.gz IOXJCLCDXLUSLA-RYUDHWBXSA-N 2 0 200.370 2.352 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403380736 344654732 /nfs/dbraw/zinc/65/47/32/344654732.db2.gz QCSOCVCNJVAIEH-LYGKVCMISA-N 2 0 222.376 2.282 10 0 BEAERP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000235391901 344901119 /nfs/dbraw/zinc/90/11/19/344901119.db2.gz XTHDXODMLQSPJO-OCCSQVGLSA-N 2 0 218.344 2.164 10 0 BEAERP C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998230 345198113 /nfs/dbraw/zinc/19/81/13/345198113.db2.gz CITPPGOSINXVLR-DBVFPWQWSA-N 2 0 230.355 2.226 10 0 BEAERP C[C@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998955 345198932 /nfs/dbraw/zinc/19/89/32/345198932.db2.gz NMMOAAJGRCWMJB-KBPBESRZSA-N 2 0 246.398 2.491 10 0 BEAERP C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998956 345199483 /nfs/dbraw/zinc/19/94/83/345199483.db2.gz NMMOAAJGRCWMJB-KGLIPLIRSA-N 2 0 246.398 2.491 10 0 BEAERP Cc1ccsc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999743 345200801 /nfs/dbraw/zinc/20/08/01/345200801.db2.gz YNWZGCQEXRIFHS-QWRGUYRKSA-N 2 0 224.373 2.083 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000257350889 345773233 /nfs/dbraw/zinc/77/32/33/345773233.db2.gz ATRGEZAPTSAXQR-GMTAPVOTSA-N 2 0 208.305 2.200 10 0 BEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000257354606 345775132 /nfs/dbraw/zinc/77/51/32/345775132.db2.gz YTPXQNBXWISFIJ-XYPYZODXSA-N 2 0 239.750 2.095 10 0 BEAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CC[NH3+])c1 ZINC000042435694 179070586 /nfs/dbraw/zinc/07/05/86/179070586.db2.gz MNKQHHIXVUUWBW-LBPRGKRZSA-N 2 0 206.333 2.164 10 0 BEAERP CCc1cccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675055016 537981776 /nfs/dbraw/zinc/98/17/76/537981776.db2.gz PMLRJMBOBFNYEG-ZIAGYGMSSA-N 2 0 218.344 2.343 10 0 BEAERP CCOc1ccccc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000037713324 346706237 /nfs/dbraw/zinc/70/62/37/346706237.db2.gz LQQOLWLHLFYCSQ-LLVKDONJSA-N 2 0 222.332 2.085 10 0 BEAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000250614109 362812768 /nfs/dbraw/zinc/81/27/68/362812768.db2.gz NMVIYJIRSMGZDN-WCQYABFASA-N 2 0 238.762 2.162 10 0 BEAERP Cc1ccccc1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062911521 179269884 /nfs/dbraw/zinc/26/98/84/179269884.db2.gz TXYBUXJYOSNXJB-OAHLLOKOSA-N 2 0 232.371 2.426 10 0 BEAERP Cc1ccccc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC000062609132 179273437 /nfs/dbraw/zinc/27/34/37/179273437.db2.gz VTYJGUZRDCWZLM-CYBMUJFWSA-N 2 0 218.344 2.179 10 0 BEAERP C[N@H+](CCCCC[NH3+])Cc1ccccc1 ZINC000004226784 362931735 /nfs/dbraw/zinc/93/17/35/362931735.db2.gz PPIDOZCBSCCLAU-UHFFFAOYSA-N 2 0 206.333 2.247 10 0 BEAERP C[C@]1(c2ccccc2)C[C@H]2C[C@@H]([NH3+])CC[N@@H+]2C1 ZINC000256067621 349376259 /nfs/dbraw/zinc/37/62/59/349376259.db2.gz ZLFMATBIAZWSDB-ZNMIVQPWSA-N 2 0 230.355 2.140 10 0 BEAERP Cc1nc([C@@H](C)NC[C@H]2CC[N@H+](C)C2)cs1 ZINC000037484836 180037440 /nfs/dbraw/zinc/03/74/40/180037440.db2.gz PYBXFKUWBXCRPY-MWLCHTKSSA-N 2 0 239.388 2.054 10 0 BEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000062179942 350224137 /nfs/dbraw/zinc/22/41/37/350224137.db2.gz FAXZZSHMYNQZGA-ZDUSSCGKSA-N 2 0 232.371 2.288 10 0 BEAERP C[C@]1(C[NH+]2CCC(C)(C)CC2)CC[NH2+]C1 ZINC000062912480 350562743 /nfs/dbraw/zinc/56/27/43/350562743.db2.gz QCZVPDVYKXEELL-ZDUSSCGKSA-N 2 0 210.365 2.108 10 0 BEAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccsc1 ZINC000129269735 490618647 /nfs/dbraw/zinc/61/86/47/490618647.db2.gz YPPBZFXAUMTUJI-LLVKDONJSA-N 2 0 212.362 2.211 10 0 BEAERP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306824527 351132175 /nfs/dbraw/zinc/13/21/75/351132175.db2.gz USAALUUCCKLXMC-HUUCEWRRSA-N 2 0 230.355 2.070 10 0 BEAERP C[C@H]1/C(=C/C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000307131364 351495995 /nfs/dbraw/zinc/49/59/95/351495995.db2.gz ZZRZBVFDSSWGIK-FUEWVNAISA-N 2 0 216.328 2.166 10 0 BEAERP C[NH2+]C[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725269310 538101449 /nfs/dbraw/zinc/10/14/49/538101449.db2.gz PRYJMKBMPWIGJT-GFCCVEGCSA-N 2 0 228.339 2.177 10 0 BEAERP CC(C)C[N@H+](C)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270772 538102575 /nfs/dbraw/zinc/10/25/75/538102575.db2.gz SHYHTMUFBYEJRJ-OTTFEQOBSA-N 2 0 210.365 2.234 10 0 BEAERP CC[C@H](C)C[NH2+]CCN1C[C@@H]2CCC[C@@H]2C1 ZINC000725271574 538103497 /nfs/dbraw/zinc/10/34/97/538103497.db2.gz HTNBNWPJAAOCNT-MELADBBJSA-N 2 0 224.392 2.354 10 0 BEAERP CC(=[NH2+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000307471197 352613044 /nfs/dbraw/zinc/61/30/44/352613044.db2.gz WPTHTAYJVJHYOO-FZMZJTMJSA-N 2 0 231.343 2.094 10 0 BEAERP CCC1([NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000536955411 323964904 /nfs/dbraw/zinc/96/49/04/323964904.db2.gz SNCRGINDBAJOKR-STQMWFEESA-N 2 0 224.392 2.497 10 0 BEAERP CC(C)[N@H+](CCC(N)=[NH2+])Cc1ccccc1 ZINC000019513919 188108017 /nfs/dbraw/zinc/10/80/17/188108017.db2.gz NCKMCZMXIHMUBQ-UHFFFAOYSA-N 2 0 219.332 2.223 10 0 BEAERP CC(C)[N@H+](C)CCn1ccc2c1CCC[C@@H]2[NH3+] ZINC000054133895 188127352 /nfs/dbraw/zinc/12/73/52/188127352.db2.gz RGWAVAJKVUGFGJ-ZDUSSCGKSA-N 2 0 235.375 2.164 10 0 BEAERP Cc1ccc(OCC[NH+](C)C)c(C[NH2+]C2CC2)c1 ZINC000071407014 188130049 /nfs/dbraw/zinc/13/00/49/188130049.db2.gz YQOBULFZPKWYAQ-UHFFFAOYSA-N 2 0 248.370 2.187 10 0 BEAERP CC(C)N(CC1CC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135469 188176604 /nfs/dbraw/zinc/17/66/04/188176604.db2.gz DKJDPFGWKMORTN-CYBMUJFWSA-N 2 0 210.365 2.249 10 0 BEAERP NC(=[NH2+])CCCC[N@@H+]1CCc2ccccc2C1 ZINC000049579661 181187117 /nfs/dbraw/zinc/18/71/17/181187117.db2.gz NKGOJIABYIIOFZ-UHFFFAOYSA-N 2 0 231.343 2.151 10 0 BEAERP CC(C)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198133 491085290 /nfs/dbraw/zinc/08/52/90/491085290.db2.gz YSXINIWAHIXMBD-JSGCOSHPSA-N 2 0 224.392 2.495 10 0 BEAERP CCC1CCC([NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000232899885 535322086 /nfs/dbraw/zinc/32/20/86/535322086.db2.gz GTGMMSBHMUMVGB-RUXDESIVSA-N 2 0 242.407 2.299 10 0 BEAERP CC(C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050918 538473277 /nfs/dbraw/zinc/47/32/77/538473277.db2.gz ALZNMCSUTJWXQE-KBPBESRZSA-N 2 0 224.392 2.400 10 0 BEAERP CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050971 538473354 /nfs/dbraw/zinc/47/33/54/538473354.db2.gz DTYKPKJKKKERNM-CHWSQXEVSA-N 2 0 210.365 2.012 10 0 BEAERP C([NH2+]C1CC1)[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051645 538474724 /nfs/dbraw/zinc/47/47/24/538474724.db2.gz WEMYRRVHYCEVBU-JSGCOSHPSA-N 2 0 222.376 2.154 10 0 BEAERP CC(C)[NH+]1CCC([C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059763 538485343 /nfs/dbraw/zinc/48/53/43/538485343.db2.gz LIRZKQKJGPKHJO-OCCSQVGLSA-N 2 0 224.392 2.352 10 0 BEAERP [NH3+]C[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000675061133 538487244 /nfs/dbraw/zinc/48/72/44/538487244.db2.gz YHPAGVSVNBAPRL-SOUVJXGZSA-N 2 0 230.355 2.103 10 0 BEAERP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000257778257 538755064 /nfs/dbraw/zinc/75/50/64/538755064.db2.gz NKSXNHXXILHMCP-XJFOESAGSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1CCC[C@H](C2CCC3(C[C@H]3[NH3+])CC2)[NH2+]1 ZINC000685950508 538893901 /nfs/dbraw/zinc/89/39/01/538893901.db2.gz RXLBHCQWOJXNQG-LYPMUSHJSA-N 2 0 222.376 2.425 10 0 BEAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CCC(C)(C)CC1 ZINC000685950806 538894510 /nfs/dbraw/zinc/89/45/10/538894510.db2.gz DJSOQFFOTXNLLN-VXGBXAGGSA-N 2 0 224.392 2.352 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCCC[C@H]1C ZINC000685951051 538894851 /nfs/dbraw/zinc/89/48/51/538894851.db2.gz MIQVNLQGAQUFAL-XQHKEYJVSA-N 2 0 210.365 2.105 10 0 BEAERP Cc1c[nH+]ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000192544633 357843631 /nfs/dbraw/zinc/84/36/31/357843631.db2.gz SFWNXKCYVUHTOY-UHFFFAOYSA-N 2 0 231.343 2.065 10 0 BEAERP CC1(C)CC(C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000584463818 357981088 /nfs/dbraw/zinc/98/10/88/357981088.db2.gz COJKZOLPYNKCIS-UHFFFAOYSA-N 2 0 210.365 2.282 10 0 BEAERP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000584774181 358175074 /nfs/dbraw/zinc/17/50/74/358175074.db2.gz BOCWYSCPWRQOHD-XQQFMLRXSA-N 2 0 222.376 2.297 10 0 BEAERP CC[C@@H]1CC[C@@H](CC[N@H+](C)CC)[NH+](C)C1 ZINC000584627574 358296955 /nfs/dbraw/zinc/29/69/55/358296955.db2.gz XWUGWNNMONIIBW-OLZOCXBDSA-N 2 0 212.381 2.449 10 0 BEAERP [NH3+][C@H]1CC[N@@H+]2C[C@@H](c3ccccc3F)C[C@H]2C1 ZINC000584640394 358326542 /nfs/dbraw/zinc/32/65/42/358326542.db2.gz ZHSZWBQWHWRPGN-SRVKXCTJSA-N 2 0 234.318 2.105 10 0 BEAERP CCC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534179 358390029 /nfs/dbraw/zinc/39/00/29/358390029.db2.gz CMIZHRJPQDOQCX-STQMWFEESA-N 2 0 212.381 2.354 10 0 BEAERP C[C@@H]1c2ccsc2CC[N@H+]1CCC[NH3+] ZINC000042740264 358529677 /nfs/dbraw/zinc/52/96/77/358529677.db2.gz CEBKBHQLLPJXIW-SECBINFHSA-N 2 0 210.346 2.016 10 0 BEAERP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132041123 358705896 /nfs/dbraw/zinc/70/58/96/358705896.db2.gz FJYHVTRNMJTIEA-BYCMXARLSA-N 2 0 248.370 2.128 10 0 BEAERP C[N@@H+]1CCC[C@H]2C[NH+](CC(C)(C)C)CC[C@H]21 ZINC000246445186 359089703 /nfs/dbraw/zinc/08/97/03/359089703.db2.gz NMUUSSWUGRSSTO-QWHCGFSZSA-N 2 0 224.392 2.449 10 0 BEAERP CCn1ccnc1Cn1ccnc1C(C)C ZINC000070422961 359053330 /nfs/dbraw/zinc/05/33/30/359053330.db2.gz HCNQSRYCSPOOHH-UHFFFAOYSA-N 2 0 218.304 2.271 10 0 BEAERP C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000257360556 359342025 /nfs/dbraw/zinc/34/20/25/359342025.db2.gz FTIJVWUYXLEMTG-ZFWWWQNUSA-N 2 0 232.371 2.288 10 0 BEAERP CC[C@H](CSC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578518559 366587359 /nfs/dbraw/zinc/58/73/59/366587359.db2.gz UWEIJYYJOUKYGD-QJPTWQEYSA-N 2 0 230.421 2.106 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000090175165 360062312 /nfs/dbraw/zinc/06/23/12/360062312.db2.gz VDUPWUSEVQNAQH-DGAVXFQQSA-N 2 0 224.392 2.495 10 0 BEAERP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000306571221 360458145 /nfs/dbraw/zinc/45/81/45/360458145.db2.gz GVHHBRRVHYGCAV-DOMZBBRYSA-N 2 0 245.370 2.484 10 0 BEAERP [NH3+]C1CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000335024934 181341632 /nfs/dbraw/zinc/34/16/32/181341632.db2.gz QEIZWMWTXNGWCV-UHFFFAOYSA-N 2 0 222.376 2.426 10 0 BEAERP CCc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074081395 541312546 /nfs/dbraw/zinc/31/25/46/541312546.db2.gz SWQJKRNHSDZRRR-ZIAGYGMSSA-N 2 0 218.344 2.343 10 0 BEAERP CC(C)CC[NH2+][C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272955 541340650 /nfs/dbraw/zinc/34/06/50/541340650.db2.gz WDTFMLGJSGKQSU-OLZOCXBDSA-N 2 0 210.365 2.297 10 0 BEAERP Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)c2ccccc2[nH+]1 ZINC000630545303 364241190 /nfs/dbraw/zinc/24/11/90/364241190.db2.gz JXPXMGFVVBMIQL-WCQYABFASA-N 2 0 241.338 2.127 10 0 BEAERP NCC1([NH+]2CCCCCCC2)CCSCC1 ZINC000042334980 181360132 /nfs/dbraw/zinc/36/01/32/181360132.db2.gz YODMIUVYCZSGOD-UHFFFAOYSA-N 2 0 242.432 2.477 10 0 BEAERP Cc1[nH+]ccc(N[C@H]2CC[C@H](C)[NH2+]C2)c1Cl ZINC000630533141 364224718 /nfs/dbraw/zinc/22/47/18/364224718.db2.gz NMHXUVXKQFIGKF-WPRPVWTQSA-N 2 0 239.750 2.018 10 0 BEAERP [NH3+]CC1(c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000071556758 181361987 /nfs/dbraw/zinc/36/19/87/181361987.db2.gz QEPMHNQXJZWLGM-UHFFFAOYSA-N 2 0 242.725 2.059 10 0 BEAERP [NH3+]CC1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095077516 181363847 /nfs/dbraw/zinc/36/38/47/181363847.db2.gz WONINLWJGOCBFL-UHFFFAOYSA-N 2 0 230.355 2.247 10 0 BEAERP [NH3+]CCC[N@H+](Cc1cccnc1)C1CCCC1 ZINC000034960478 181379916 /nfs/dbraw/zinc/37/99/16/181379916.db2.gz FPGXUPJCXJBWTA-UHFFFAOYSA-N 2 0 233.359 2.175 10 0 BEAERP [NH3+]CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000127405644 181383686 /nfs/dbraw/zinc/38/36/86/181383686.db2.gz UIZSDROUHDAPBK-LBPRGKRZSA-N 2 0 224.735 2.266 10 0 BEAERP CC(C)[NH+](C(C)C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080595 541468122 /nfs/dbraw/zinc/46/81/22/541468122.db2.gz SSDSNPVWNIEBCY-QWHCGFSZSA-N 2 0 240.391 2.002 10 0 BEAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000581720409 367782419 /nfs/dbraw/zinc/78/24/19/367782419.db2.gz STEYQSJBQZEDSZ-ZYHUDNBSSA-N 2 0 210.365 2.010 10 0 BEAERP C[C@@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2ccccc21 ZINC000385175021 367805312 /nfs/dbraw/zinc/80/53/12/367805312.db2.gz GVSNNOBNBMVJQS-GHMZBOCLSA-N 2 0 227.311 2.161 10 0 BEAERP Cc1scc(C[NH2+]C2CC[NH2+]CC2)c1C ZINC000399872840 368897706 /nfs/dbraw/zinc/89/77/06/368897706.db2.gz UXOVKQIHLWECQO-UHFFFAOYSA-N 2 0 224.373 2.207 10 0 BEAERP Cc1ccc(F)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837376 369094392 /nfs/dbraw/zinc/09/43/92/369094392.db2.gz BADIHTYRQLVLSP-AAEUAGOBSA-N 2 0 236.334 2.161 10 0 BEAERP C[C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843099 369373131 /nfs/dbraw/zinc/37/31/31/369373131.db2.gz JGCWODWIDVAGJA-ZFWWWQNUSA-N 2 0 232.371 2.146 10 0 BEAERP CC(C)([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004204176 372168186 /nfs/dbraw/zinc/16/81/86/372168186.db2.gz VKMDDONHDBJSAT-CYBMUJFWSA-N 2 0 218.344 2.246 10 0 BEAERP Cc1ccccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842689 372641485 /nfs/dbraw/zinc/64/14/85/372641485.db2.gz DNOHWCIEPPAUDF-JSGCOSHPSA-N 2 0 218.344 2.022 10 0 BEAERP C[C@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631844062 372643188 /nfs/dbraw/zinc/64/31/88/372643188.db2.gz UYGQQEXXWVPTRX-JQWIXIFHSA-N 2 0 238.762 2.367 10 0 BEAERP C[C@@H]1CCC[C@H](C[NH3+])N1Cc1ccccc1 ZINC000069721354 373647745 /nfs/dbraw/zinc/64/77/45/373647745.db2.gz AZKQWCPTAGSIIP-TZMCWYRMSA-N 2 0 218.344 2.388 10 0 BEAERP CCC[NH+]1CCC(C[NH2+]Cc2cccn2C)CC1 ZINC000119073596 169186254 /nfs/dbraw/zinc/18/62/54/169186254.db2.gz UITYQUSKIKVNOF-UHFFFAOYSA-N 2 0 249.402 2.237 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073655942 169209002 /nfs/dbraw/zinc/20/90/02/169209002.db2.gz XQLAIQKDMNUQBO-STQMWFEESA-N 2 0 212.381 2.495 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073655914 169209128 /nfs/dbraw/zinc/20/91/28/169209128.db2.gz GZNAUWNOUKBLSM-STQMWFEESA-N 2 0 210.365 2.345 10 0 BEAERP CCC[NH2+][C@H](C)C1CC[NH+](CCCOC)CC1 ZINC000104424837 169285696 /nfs/dbraw/zinc/28/56/96/169285696.db2.gz JNYXOJHMJCTQLL-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP c1ccc(C[NH+]2CCC(C[NH2+]C3CC3)CC2)nc1 ZINC000053660106 183397326 /nfs/dbraw/zinc/39/73/26/183397326.db2.gz HGPTYAIKSNHWRA-UHFFFAOYSA-N 2 0 245.370 2.046 10 0 BEAERP c1ccc(CN2CC[NH2+]CCC23CC3)cc1 ZINC000097758390 183399217 /nfs/dbraw/zinc/39/92/17/183399217.db2.gz HNUHLDASOVBDEM-UHFFFAOYSA-N 2 0 216.328 2.015 10 0 BEAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711434 169282320 /nfs/dbraw/zinc/28/23/20/169282320.db2.gz YWXVNLIRQVIMCJ-CHWSQXEVSA-N 2 0 240.391 2.018 10 0 BEAERP CCC[NH2+][C@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000049709014 169291448 /nfs/dbraw/zinc/29/14/48/169291448.db2.gz JLZDNMLZVHZDLZ-STQMWFEESA-N 2 0 212.381 2.352 10 0 BEAERP CCCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713327 169321709 /nfs/dbraw/zinc/32/17/09/169321709.db2.gz BRJLWIICCWLYAW-LBPRGKRZSA-N 2 0 236.359 2.475 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)C1(C)CC1 ZINC000222736071 134334109 /nfs/dbraw/zinc/33/41/09/134334109.db2.gz IHZQTFVSGPGEBV-SDDRHHMPSA-N 2 0 210.365 2.247 10 0 BEAERP [NH3+]C[C@H](Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000068591159 384003254 /nfs/dbraw/zinc/00/32/54/384003254.db2.gz OCTFQZCEZPAXSY-GXTWGEPZSA-N 2 0 236.334 2.085 10 0 BEAERP C[C@H]1C[NH2+][C@@H](c2cccc(OCC[NH+](C)C)c2)C1 ZINC000003705167 384023023 /nfs/dbraw/zinc/02/30/23/384023023.db2.gz CSDMOHBAUMDQQY-IUODEOHRSA-N 2 0 248.370 2.298 10 0 BEAERP CCc1nccn1Cc1nccn1C(C)C ZINC000158423888 384189546 /nfs/dbraw/zinc/18/95/46/384189546.db2.gz FPHIEJLJAXNCGO-UHFFFAOYSA-N 2 0 218.304 2.271 10 0 BEAERP CC(C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120233122 384340500 /nfs/dbraw/zinc/34/05/00/384340500.db2.gz ZCKYAVJGCFMDSK-UHFFFAOYSA-N 2 0 210.365 2.203 10 0 BEAERP CC(C)[N@@H+]1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095088225 384359945 /nfs/dbraw/zinc/35/99/45/384359945.db2.gz BKTNGQSSXPVXID-UHFFFAOYSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C ZINC000084339329 384391078 /nfs/dbraw/zinc/39/10/78/384391078.db2.gz JJGIBBJYPDAVIC-OTTFEQOBSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000560966875 384429117 /nfs/dbraw/zinc/42/91/17/384429117.db2.gz XZASZKUNQJKKJF-NEPJUHHUSA-N 2 0 238.400 2.268 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1Cl ZINC000037713176 384510662 /nfs/dbraw/zinc/51/06/62/384510662.db2.gz WNAMLXMQVZKCML-SECBINFHSA-N 2 0 212.724 2.339 10 0 BEAERP Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(C)C)C2 ZINC000150971589 384524454 /nfs/dbraw/zinc/52/44/54/384524454.db2.gz HQYQECNAJVFHOE-NEPJUHHUSA-N 2 0 221.348 2.140 10 0 BEAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nccs1 ZINC000083143316 384744624 /nfs/dbraw/zinc/74/46/24/384744624.db2.gz CCEBVNAQRAWHIX-IDKOKCKLSA-N 2 0 225.361 2.064 10 0 BEAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1 ZINC000258769846 384945062 /nfs/dbraw/zinc/94/50/62/384945062.db2.gz NYIAKMHSSQTVKW-SECBINFHSA-N 2 0 212.724 2.167 10 0 BEAERP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336692499 385734671 /nfs/dbraw/zinc/73/46/71/385734671.db2.gz HUZKCMUFBBYMAW-ZIAGYGMSSA-N 2 0 243.439 2.070 10 0 BEAERP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000414864998 385771774 /nfs/dbraw/zinc/77/17/74/385771774.db2.gz CKCDTTSOKDNWMP-WOPDTQHZSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000647801110 385810061 /nfs/dbraw/zinc/81/00/61/385810061.db2.gz OBUYLOOQRQVZKU-HBNTYKKESA-N 2 0 234.334 2.255 10 0 BEAERP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)CC(F)F ZINC000647801462 385811312 /nfs/dbraw/zinc/81/13/12/385811312.db2.gz WIPGMHICPNIOQZ-ZJUUUORDSA-N 2 0 220.307 2.009 10 0 BEAERP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414899159 386236490 /nfs/dbraw/zinc/23/64/90/386236490.db2.gz CGSHZKBWWXJHNJ-AGIUHOORSA-N 2 0 210.365 2.012 10 0 BEAERP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414899162 386239573 /nfs/dbraw/zinc/23/95/73/386239573.db2.gz CGSHZKBWWXJHNJ-FRRDWIJNSA-N 2 0 210.365 2.012 10 0 BEAERP C([NH2+][C@H]1CCC[NH2+]CC1)C1(C2CC2)CCC1 ZINC000391444887 386269740 /nfs/dbraw/zinc/26/97/40/386269740.db2.gz CYOZFUWPIHWMEH-ZDUSSCGKSA-N 2 0 222.376 2.298 10 0 BEAERP COc1cc([C@@H](C)[NH2+]CCCC[NH3+])ccc1F ZINC000215473901 386398576 /nfs/dbraw/zinc/39/85/76/386398576.db2.gz QHECWNHAWAKBOM-SNVBAGLBSA-N 2 0 240.322 2.224 10 0 BEAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cccnc1 ZINC000160894677 386520392 /nfs/dbraw/zinc/52/03/92/386520392.db2.gz TTWAIDKNVFEKGQ-YRGRVCCFSA-N 2 0 233.359 2.263 10 0 BEAERP C[C@@]1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000062912330 386531958 /nfs/dbraw/zinc/53/19/58/386531958.db2.gz MNRPAPMXGASSBW-JKSUJKDBSA-N 2 0 244.382 2.476 10 0 BEAERP C[N@H+](CC1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911742 386532612 /nfs/dbraw/zinc/53/26/12/386532612.db2.gz VANHTBOUHLOTGK-CQSZACIVSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000519815805 386559218 /nfs/dbraw/zinc/55/92/18/386559218.db2.gz BLXHUWNEDHVHMU-TUAOUCFPSA-N 2 0 212.381 2.399 10 0 BEAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000520216772 386601838 /nfs/dbraw/zinc/60/18/38/386601838.db2.gz DLYURNFPCJIEBM-YPMHNXCESA-N 2 0 224.392 2.400 10 0 BEAERP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398371105 386819258 /nfs/dbraw/zinc/81/92/58/386819258.db2.gz OOXGAFBKRCGZOC-NSHDSACASA-N 2 0 238.762 2.348 10 0 BEAERP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398353929 386813537 /nfs/dbraw/zinc/81/35/37/386813537.db2.gz JUNCMSGLZLNJJH-ZDUSSCGKSA-N 2 0 218.344 2.003 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)cc(Cl)cc1F ZINC000575438200 387109573 /nfs/dbraw/zinc/10/95/73/387109573.db2.gz DUSSQCJOVVSHOV-SECBINFHSA-N 2 0 234.677 2.357 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)ccc(Cl)c1F ZINC000575439064 387120973 /nfs/dbraw/zinc/12/09/73/387120973.db2.gz PDRDBSONOJJXHE-MRVPVSSYSA-N 2 0 234.677 2.357 10 0 BEAERP Cc1ccc(F)c([C@H]([NH3+])CCC[NH3+])c1F ZINC000575439636 387125149 /nfs/dbraw/zinc/12/51/49/387125149.db2.gz SJJRFNIOUNPICB-SECBINFHSA-N 2 0 214.259 2.012 10 0 BEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000575439683 387126523 /nfs/dbraw/zinc/12/65/23/387126523.db2.gz XDVODBSQHVWQQS-VIFPVBQESA-N 2 0 232.249 2.233 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])c(F)c1 ZINC000575440074 387127574 /nfs/dbraw/zinc/12/75/74/387127574.db2.gz SYQZYFWPDBRTMH-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])c(C)c1 ZINC000575440102 387127971 /nfs/dbraw/zinc/12/79/71/387127971.db2.gz ZSBFKXHQYVYTJH-ZDUSSCGKSA-N 2 0 206.333 2.432 10 0 BEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000575438327 387129123 /nfs/dbraw/zinc/12/91/23/387129123.db2.gz HQSLNDKZEQNFHO-SNVBAGLBSA-N 2 0 216.687 2.218 10 0 BEAERP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000572474137 387188636 /nfs/dbraw/zinc/18/86/36/387188636.db2.gz WCTWXYMJIZIYDT-QWHCGFSZSA-N 2 0 236.359 2.108 10 0 BEAERP CCN1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324854554 387541470 /nfs/dbraw/zinc/54/14/70/387541470.db2.gz ZARWZQRIBIMINB-ZIAGYGMSSA-N 2 0 222.376 2.249 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000037713473 387565315 /nfs/dbraw/zinc/56/53/15/387565315.db2.gz DRTBXJAAXCIMED-SECBINFHSA-N 2 0 244.285 2.287 10 0 BEAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422772463 387671377 /nfs/dbraw/zinc/67/13/77/387671377.db2.gz YRYWCQSPSMBYEQ-RKDXNWHRSA-N 2 0 210.346 2.007 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(C)CC1 ZINC000130218763 387779446 /nfs/dbraw/zinc/77/94/46/387779446.db2.gz XFXDIWCKFYAMSY-YNEHKIRRSA-N 2 0 222.376 2.391 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959888 387812473 /nfs/dbraw/zinc/81/24/73/387812473.db2.gz AGZIZEOOKNUDMS-OCIKQUFWSA-N 2 0 208.349 2.048 10 0 BEAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978137 387790170 /nfs/dbraw/zinc/79/01/70/387790170.db2.gz HAXGQRBKHSTUBN-MGPQQGTHSA-N 2 0 248.370 2.042 10 0 BEAERP C[C@H](CCCC[NH3+])[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000423113002 387895486 /nfs/dbraw/zinc/89/54/86/387895486.db2.gz YADPOBAMIAMDTQ-AGIUHOORSA-N 2 0 242.407 2.297 10 0 BEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000238850683 387936084 /nfs/dbraw/zinc/93/60/84/387936084.db2.gz CNGGMQNYSIBNDV-RGCMKSIDSA-N 2 0 232.371 2.490 10 0 BEAERP C1CC1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000423214150 387997414 /nfs/dbraw/zinc/99/74/14/387997414.db2.gz MDBLSPPEGMFZEX-IZGVIRRGSA-N 2 0 234.387 2.438 10 0 BEAERP Cc1cc(N[C@H](C)C[NH3+])c2ccccc2[nH+]1 ZINC000082575954 388037789 /nfs/dbraw/zinc/03/77/89/388037789.db2.gz KEGHYXOODDBYGU-SNVBAGLBSA-N 2 0 215.300 2.302 10 0 BEAERP CC(C)CC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400435603 256688399 /nfs/dbraw/zinc/68/83/99/256688399.db2.gz LEYKTJNKZBHRAD-STQMWFEESA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CC1(C)C ZINC000397606922 388483221 /nfs/dbraw/zinc/48/32/21/388483221.db2.gz ALFFDRXXRKHJGE-FIQHERPVSA-N 2 0 210.365 2.138 10 0 BEAERP Cc1cc(N[C@@H](C)C[NH3+])c2ccccc2[nH+]1 ZINC000082575952 388618130 /nfs/dbraw/zinc/61/81/30/388618130.db2.gz KEGHYXOODDBYGU-JTQLQIEISA-N 2 0 215.300 2.302 10 0 BEAERP CC[NH2+][C@H](C)CNc1cc[nH+]c2ccccc12 ZINC000387441609 388581804 /nfs/dbraw/zinc/58/18/04/388581804.db2.gz KRNDWZQYIYZMBE-LLVKDONJSA-N 2 0 229.327 2.067 10 0 BEAERP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCC[NH2+]CC1 ZINC000530216678 388630644 /nfs/dbraw/zinc/63/06/44/388630644.db2.gz BUMSZMKIEFXEQN-CYBMUJFWSA-N 2 0 224.392 2.497 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000530217383 388630822 /nfs/dbraw/zinc/63/08/22/388630822.db2.gz BHFKWMTYZPUUMK-MELADBBJSA-N 2 0 222.376 2.320 10 0 BEAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])cc1F ZINC000575440229 388631207 /nfs/dbraw/zinc/63/12/07/388631207.db2.gz WCVQHIZXECKAFL-GFCCVEGCSA-N 2 0 210.296 2.263 10 0 BEAERP Cc1cc(F)ccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440466 388631333 /nfs/dbraw/zinc/63/13/33/388631333.db2.gz WUVLIZHXZLHEKT-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@@H]1CCC[NH2+]C1 ZINC000566090833 388987027 /nfs/dbraw/zinc/98/70/27/388987027.db2.gz DIBQBMRSTNZAHA-XQQFMLRXSA-N 2 0 242.432 2.250 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400484448 533355676 /nfs/dbraw/zinc/35/56/76/533355676.db2.gz WYCJLVBMVIPEEC-VXGBXAGGSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]([NH2+]CC1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400553039 533365879 /nfs/dbraw/zinc/36/58/79/533365879.db2.gz YIRZBLARLPRPMD-FKZOYECMSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000400507994 533454631 /nfs/dbraw/zinc/45/46/31/533454631.db2.gz DWDUMOOSFRMPBZ-ZYHUDNBSSA-N 2 0 238.762 2.428 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400344231 533540626 /nfs/dbraw/zinc/54/06/26/533540626.db2.gz IKXBUCWCXHRYSE-NDBYEHHHSA-N 2 0 210.365 2.153 10 0 BEAERP c1cc(N2CCC[C@H](C[NH2+]C3CC3)C2)cc[nH+]1 ZINC000053702270 132363104 /nfs/dbraw/zinc/36/31/04/132363104.db2.gz PDRZXTRYMTZXEZ-GFCCVEGCSA-N 2 0 231.343 2.050 10 0 BEAERP CC(C)[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053701841 132363133 /nfs/dbraw/zinc/36/31/33/132363133.db2.gz ORWBSKIDXLNUKW-ZDUSSCGKSA-N 2 0 233.359 2.296 10 0 BEAERP c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000063201271 132389161 /nfs/dbraw/zinc/38/91/61/132389161.db2.gz FENSUKNVABSAKQ-AWEZNQCLSA-N 2 0 231.343 2.050 10 0 BEAERP CC[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219857288 134292315 /nfs/dbraw/zinc/29/23/15/134292315.db2.gz JQYHFVFSXOIBRJ-STQMWFEESA-N 2 0 210.365 2.108 10 0 BEAERP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538302 135175326 /nfs/dbraw/zinc/17/53/26/135175326.db2.gz XHEVUKUFKDFWSI-TUAOUCFPSA-N 2 0 246.345 2.481 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261538104 135175375 /nfs/dbraw/zinc/17/53/75/135175375.db2.gz CEKRYULCMVDJAK-NSHDSACASA-N 2 0 246.345 2.496 10 0 BEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261538123 135175433 /nfs/dbraw/zinc/17/54/33/135175433.db2.gz DVEGQXYBGFGWDQ-UTUOFQBUSA-N 2 0 246.345 2.481 10 0 BEAERP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)C(C)C ZINC000261550798 135188936 /nfs/dbraw/zinc/18/89/36/135188936.db2.gz PRXVBVOADQYXIK-CHWSQXEVSA-N 2 0 212.381 2.352 10 0 BEAERP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)C(C)C ZINC000261550803 135190437 /nfs/dbraw/zinc/19/04/37/135190437.db2.gz PRXVBVOADQYXIK-STQMWFEESA-N 2 0 212.381 2.352 10 0 BEAERP CCC(CC)(CC)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261575481 135216813 /nfs/dbraw/zinc/21/68/13/135216813.db2.gz JUEUJWBRPMLVNJ-LBPRGKRZSA-N 2 0 212.381 2.483 10 0 BEAERP C[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)CC(C)(C)C1 ZINC000335551106 136098110 /nfs/dbraw/zinc/09/81/10/136098110.db2.gz AJBKTLSBRMRLEW-CMPLNLGQSA-N 2 0 210.365 2.010 10 0 BEAERP CC(C)[NH2+]CCCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043427996 167102833 /nfs/dbraw/zinc/10/28/33/167102833.db2.gz QGFFJJQDFVWZAI-KBPBESRZSA-N 2 0 240.391 2.018 10 0 BEAERP Cc1ccc(C[NH2+]CC[C@H](C)[NH3+])c(C)c1 ZINC000258709724 322875296 /nfs/dbraw/zinc/87/52/96/322875296.db2.gz HQQLSNLMDVJGDN-LBPRGKRZSA-N 2 0 206.333 2.130 10 0 BEAERP C[C@H]([NH3+])CC[NH2+]Cc1coc2ccccc12 ZINC000258792734 322877733 /nfs/dbraw/zinc/87/77/33/322877733.db2.gz QJBCMQVPHKDHLL-JTQLQIEISA-N 2 0 218.300 2.260 10 0 BEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)c2ccccc21 ZINC000132035428 410448900 /nfs/dbraw/zinc/44/89/00/410448900.db2.gz RMIQFRCFJJALNI-NILFDRSVSA-N 2 0 246.354 2.290 10 0 BEAERP [NH3+]C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000394507955 410617739 /nfs/dbraw/zinc/61/77/39/410617739.db2.gz LVODVGKFEBNFIV-SNVBAGLBSA-N 2 0 232.318 2.235 10 0 BEAERP CC[NH+](CC)CCCNCCC[NH+](CC)CC ZINC000005649794 169773701 /nfs/dbraw/zinc/77/37/01/169773701.db2.gz MUFLLFPHQQDPIW-UHFFFAOYSA-N 2 0 243.439 2.040 10 0 BEAERP CC[NH+](CC)CCCOc1cccc(C[NH3+])c1 ZINC000033421616 169775965 /nfs/dbraw/zinc/77/59/65/169775965.db2.gz GJRNCCWJPFQMJZ-UHFFFAOYSA-N 2 0 236.359 2.256 10 0 BEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCOC(C)(C)C1 ZINC000052481724 167002688 /nfs/dbraw/zinc/00/26/88/167002688.db2.gz AQBDUGVIVUQFQB-UHFFFAOYSA-N 2 0 242.407 2.123 10 0 BEAERP CC(C)[NH2+]CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104189218 167101423 /nfs/dbraw/zinc/10/14/23/167101423.db2.gz PNSDEWJHWPGZKV-AWEZNQCLSA-N 2 0 242.407 2.123 10 0 BEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935665 167102006 /nfs/dbraw/zinc/10/20/06/167102006.db2.gz KXTHYHAZWSOLGB-AWEZNQCLSA-N 2 0 242.407 2.266 10 0 BEAERP CC(C)[NH2+]CCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380735 167102973 /nfs/dbraw/zinc/10/29/73/167102973.db2.gz XICPORMWPNJHJG-OKILXGFUSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)[NH2+]C[C@H]1CCCN1c1cc[nH+]cc1 ZINC000053694081 167115166 /nfs/dbraw/zinc/11/51/66/167115166.db2.gz FDOSSVJMJDOCIN-CYBMUJFWSA-N 2 0 219.332 2.048 10 0 BEAERP CC(C)[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 ZINC000053034386 167115401 /nfs/dbraw/zinc/11/54/01/167115401.db2.gz BBNHGTGWDNNCDL-VXGBXAGGSA-N 2 0 210.365 2.105 10 0 BEAERP CC[NH+](CC)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052378395 169790322 /nfs/dbraw/zinc/79/03/22/169790322.db2.gz MZXHJIKNOUSSAP-UONOGXRCSA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH+](CC)Cc1ccc(C[NH2+]C)cc1 ZINC000045206513 169790982 /nfs/dbraw/zinc/79/09/82/169790982.db2.gz ORIIKXJCJXQWOT-UHFFFAOYSA-N 2 0 206.333 2.248 10 0 BEAERP Cc1c[nH+]ccc1NCCC1CC[NH2+]CC1 ZINC000212325997 411145499 /nfs/dbraw/zinc/14/54/99/411145499.db2.gz CNCDNBRYUICXJY-UHFFFAOYSA-N 2 0 219.332 2.192 10 0 BEAERP [NH3+]C1(CNc2cc[nH+]c3ccccc23)CCCC1 ZINC000656610207 411308772 /nfs/dbraw/zinc/30/87/72/411308772.db2.gz NOMATLKHPDCFCJ-UHFFFAOYSA-N 2 0 241.338 2.340 10 0 BEAERP [NH3+]CC12CC(C1)CN2c1cc[nH+]c2ccccc21 ZINC000656612149 411309749 /nfs/dbraw/zinc/30/97/49/411309749.db2.gz VJUNWWVUUDCYLV-UHFFFAOYSA-N 2 0 239.322 2.162 10 0 BEAERP CC1CC[NH+](Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000019802731 168184618 /nfs/dbraw/zinc/18/46/18/168184618.db2.gz QUAAAIGYBTYHFH-UHFFFAOYSA-N 2 0 231.343 2.203 10 0 BEAERP CC1CC[NH+]([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037156830 168188053 /nfs/dbraw/zinc/18/80/53/168188053.db2.gz IYJQXUBLPSMLQW-STQMWFEESA-N 2 0 210.365 2.236 10 0 BEAERP CC[NH+]1CCC(CNC(=[NH2+])c2ccccc2)CC1 ZINC000062992893 169951689 /nfs/dbraw/zinc/95/16/89/169951689.db2.gz QNNMDFGXWNVHSZ-UHFFFAOYSA-N 2 0 245.370 2.333 10 0 BEAERP CC[N@@H+]1CC[C@H](CNC(=[NH2+])C2CCCCC2)C1 ZINC000062990958 170015281 /nfs/dbraw/zinc/01/52/81/170015281.db2.gz BAFSDPMGYFGZQN-GFCCVEGCSA-N 2 0 237.391 2.475 10 0 BEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)C ZINC000054627058 170109786 /nfs/dbraw/zinc/10/97/86/170109786.db2.gz NITMSZAKTSHYSX-YOGCLGLASA-N 2 0 210.365 2.390 10 0 BEAERP CC[NH2+]CCCCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543571 170111676 /nfs/dbraw/zinc/11/16/76/170111676.db2.gz TUCAILRSXKUBFT-ZDUSSCGKSA-N 2 0 242.407 2.266 10 0 BEAERP CC[NH2+]CCCCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543572 170112064 /nfs/dbraw/zinc/11/20/64/170112064.db2.gz TUCAILRSXKUBFT-CYBMUJFWSA-N 2 0 242.407 2.266 10 0 BEAERP CC[NH2+]CCC[C@@H](C)OCC[NH+]1CCCCC1 ZINC000052670957 170112580 /nfs/dbraw/zinc/11/25/80/170112580.db2.gz UROBUMDOJSZVCR-CQSZACIVSA-N 2 0 242.407 2.267 10 0 BEAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccncc1 ZINC000052480980 170112778 /nfs/dbraw/zinc/11/27/78/170112778.db2.gz OVNPALFRGOAMNO-CYBMUJFWSA-N 2 0 235.375 2.292 10 0 BEAERP CC[NH2+]CCSc1cccc2nccn21 ZINC000089201257 170116695 /nfs/dbraw/zinc/11/66/95/170116695.db2.gz UPSFMQPNYLEPAS-UHFFFAOYSA-N 2 0 221.329 2.036 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000053862420 170150254 /nfs/dbraw/zinc/15/02/54/170150254.db2.gz OSKPUASRNJYNGX-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCCC1 ZINC000043807282 170165584 /nfs/dbraw/zinc/16/55/84/170165584.db2.gz DUKFGHBUUOHBKN-QWHCGFSZSA-N 2 0 210.365 2.393 10 0 BEAERP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCSCC1 ZINC000060743781 170165625 /nfs/dbraw/zinc/16/56/25/170165625.db2.gz JEOKBRSQKVHUIR-STQMWFEESA-N 2 0 242.432 2.204 10 0 BEAERP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCSCC1 ZINC000060743776 170165788 /nfs/dbraw/zinc/16/57/88/170165788.db2.gz JEOKBRSQKVHUIR-OLZOCXBDSA-N 2 0 242.432 2.204 10 0 BEAERP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000060720683 170166018 /nfs/dbraw/zinc/16/60/18/170166018.db2.gz VBORMLQNBVKEGY-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000049710669 170166707 /nfs/dbraw/zinc/16/67/07/170166707.db2.gz GEOYLNODKLZZGP-JSGCOSHPSA-N 2 0 224.392 2.497 10 0 BEAERP CCOC1CC[NH+]([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000052484130 170331987 /nfs/dbraw/zinc/33/19/87/170331987.db2.gz VEVWCKPAFGWCRS-CYBMUJFWSA-N 2 0 242.407 2.264 10 0 BEAERP CCOCC[N@H+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C ZINC000104192043 170394690 /nfs/dbraw/zinc/39/46/90/170394690.db2.gz JVOAQMPVTZAWJQ-KGLIPLIRSA-N 2 0 242.407 2.123 10 0 BEAERP CCOCC[N@H+](CC)[C@H](C)CC[NH2+]CC(C)C ZINC000104188757 170395609 /nfs/dbraw/zinc/39/56/09/170395609.db2.gz WHHUYCBDQIAOML-CQSZACIVSA-N 2 0 244.423 2.369 10 0 BEAERP CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662267118 412058559 /nfs/dbraw/zinc/05/85/59/412058559.db2.gz SDZVVDJHDWFSIV-AVGNSLFASA-N 2 0 208.349 2.012 10 0 BEAERP CC[C@@H]1CC[NH2+][C@H]1CC[NH+]1CCCCC1 ZINC000003733136 171027837 /nfs/dbraw/zinc/02/78/37/171027837.db2.gz QGECHVVAUZNJDW-OLZOCXBDSA-N 2 0 210.365 2.251 10 0 BEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000036128089 171113585 /nfs/dbraw/zinc/11/35/85/171113585.db2.gz IZPNOQXRZSJTGH-IUODEOHRSA-N 2 0 248.370 2.145 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)CC1([NH3+])CCCCC1 ZINC000042593251 171315120 /nfs/dbraw/zinc/31/51/20/171315120.db2.gz KCICKODOYBQDQI-ZDUSSCGKSA-N 2 0 242.407 2.395 10 0 BEAERP CC[C@H](C)[C@@H](N)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073517 171372212 /nfs/dbraw/zinc/37/22/12/171372212.db2.gz UUXOUHJJKYPAKH-RNJOBUHISA-N 2 0 212.381 2.338 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000665263571 412208010 /nfs/dbraw/zinc/20/80/10/412208010.db2.gz PJQPXDANZQMIGL-ZSLBOAEBSA-N 2 0 222.376 2.010 10 0 BEAERP C[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000665274537 412217189 /nfs/dbraw/zinc/21/71/89/412217189.db2.gz SDQKOSVGJNMSPO-WCQYABFASA-N 2 0 208.349 2.074 10 0 BEAERP CC[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000037914059 171620879 /nfs/dbraw/zinc/62/08/79/171620879.db2.gz FNTFJYGIMWNREM-ZDUSSCGKSA-N 2 0 231.343 2.345 10 0 BEAERP CCn1cc[nH+]c1NC[C@H]([NH3+])c1ccccc1 ZINC000062838663 172227676 /nfs/dbraw/zinc/22/76/76/172227676.db2.gz GWNNVGBRWIFNQH-LBPRGKRZSA-N 2 0 230.315 2.015 10 0 BEAERP C[N@@H+]1CCC[C@H](C[NH2+]C2(C)CCCC2)C1 ZINC000054243540 173042032 /nfs/dbraw/zinc/04/20/32/173042032.db2.gz MZUKKEXMKBFVCU-GFCCVEGCSA-N 2 0 210.365 2.251 10 0 BEAERP CN1CC[C@@H]([NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000216039997 173117401 /nfs/dbraw/zinc/11/74/01/173117401.db2.gz DUXQDTZEIPNHRZ-ZIAGYGMSSA-N 2 0 218.344 2.036 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037484680 173146550 /nfs/dbraw/zinc/14/65/50/173146550.db2.gz FZSXLTDQEVQDQN-GFCCVEGCSA-N 2 0 238.762 2.381 10 0 BEAERP C[NH2+]C1CC[NH+](C2CCCCCC2)CC1 ZINC000037242448 173322487 /nfs/dbraw/zinc/32/24/87/173322487.db2.gz ZZBRGBXQZBKJRR-UHFFFAOYSA-N 2 0 210.365 2.393 10 0 BEAERP C[NH2+]C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000049256445 173322814 /nfs/dbraw/zinc/32/28/14/173322814.db2.gz GHVKGBUYBSQHDS-UHFFFAOYSA-N 2 0 232.371 2.487 10 0 BEAERP C[NH2+]C1CC[NH+](CCC2CCCC2)CC1 ZINC000037741404 173322951 /nfs/dbraw/zinc/32/29/51/173322951.db2.gz AORNOPMCXQDMIB-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000037255830 173323587 /nfs/dbraw/zinc/32/35/87/173323587.db2.gz WGPKQIOLQSLSIN-DGCLKSJQSA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000037255832 173324304 /nfs/dbraw/zinc/32/43/04/173324304.db2.gz WGPKQIOLQSLSIN-WCQYABFASA-N 2 0 210.365 2.249 10 0 BEAERP C[NH2+]CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000063159096 173338662 /nfs/dbraw/zinc/33/86/62/173338662.db2.gz XNRAMKXDIWIQCM-UHFFFAOYSA-N 2 0 244.382 2.085 10 0 BEAERP C[NH2+]CCCCC[N@@H+]1CCOc2ccccc2C1 ZINC000063013751 173345542 /nfs/dbraw/zinc/34/55/42/173345542.db2.gz PUXJVZKDAGXPDV-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034946 173370303 /nfs/dbraw/zinc/37/03/03/173370303.db2.gz WSQPYFXMOIBRBU-XJKSGUPXSA-N 2 0 244.382 2.085 10 0 BEAERP C[NH2+]Cc1cc(C[NH+]2CCC(C)(C)CC2)on1 ZINC000061823089 173387287 /nfs/dbraw/zinc/38/72/87/173387287.db2.gz NYPACTZOTAINGQ-UHFFFAOYSA-N 2 0 237.347 2.016 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]2C)oc1C ZINC000052375708 173387442 /nfs/dbraw/zinc/38/74/42/173387442.db2.gz MIYFJIDKYNITLS-JTQLQIEISA-N 2 0 222.332 2.292 10 0 BEAERP C[NH2+]Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331788 173388633 /nfs/dbraw/zinc/38/86/33/173388633.db2.gz MQPFJNDIZCTQPM-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+][C@@H]1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000053861125 173431554 /nfs/dbraw/zinc/43/15/54/173431554.db2.gz HUXOVVVLOQTASU-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP COC1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037265714 174029550 /nfs/dbraw/zinc/02/95/50/174029550.db2.gz FIRASDISUBELDJ-JSGCOSHPSA-N 2 0 240.391 2.005 10 0 BEAERP COC1CC[NH+]([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052455529 174031038 /nfs/dbraw/zinc/03/10/38/174031038.db2.gz CJWMDKWOZNRSMM-CYBMUJFWSA-N 2 0 242.407 2.121 10 0 BEAERP COCCC[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901224 174246993 /nfs/dbraw/zinc/24/69/93/174246993.db2.gz LHVKTLMNYLHONL-UHFFFAOYSA-N 2 0 242.407 2.267 10 0 BEAERP COCC[N@H+](C1CC1)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000042517876 174285278 /nfs/dbraw/zinc/28/52/78/174285278.db2.gz VSRJVFGSANNGDK-OCCSQVGLSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000042368726 174287813 /nfs/dbraw/zinc/28/78/13/174287813.db2.gz VUTXUBNYPNFXCQ-MELADBBJSA-N 2 0 242.407 2.107 10 0 BEAERP COCC[N@H+](CC1([NH3+])CCCC1)[C@H](C)C1CC1 ZINC000042689302 174288299 /nfs/dbraw/zinc/28/82/99/174288299.db2.gz VRVQTBAYMABEAX-GFCCVEGCSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[N@H+](CCC[NH2+]CC(C)C)CC(C)C ZINC000052508487 174291468 /nfs/dbraw/zinc/29/14/68/174291468.db2.gz XFLOTTHNGHNNAD-UHFFFAOYSA-N 2 0 244.423 2.227 10 0 BEAERP COc1cccc([C@@H](C[NH3+])N(C)CC2CC2)c1 ZINC000020225830 175288008 /nfs/dbraw/zinc/28/80/08/175288008.db2.gz ZUQNKRMCAAIEIO-CQSZACIVSA-N 2 0 234.343 2.037 10 0 BEAERP COc1ccccc1[C@@H](C[NH3+])N(C)CC(C)C ZINC000020225778 175345782 /nfs/dbraw/zinc/34/57/82/175345782.db2.gz VLNQZHKYQWABKS-CYBMUJFWSA-N 2 0 236.359 2.283 10 0 BEAERP C[C@@H]([NH3+])Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000033901804 175807500 /nfs/dbraw/zinc/80/75/00/175807500.db2.gz SPXUMWFLJRMCOD-CYBMUJFWSA-N 2 0 248.370 2.051 10 0 BEAERP C[C@@H](c1ccco1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527635 176033199 /nfs/dbraw/zinc/03/31/99/176033199.db2.gz QIXMJKHXVYDBKK-WDEREUQCSA-N 2 0 208.305 2.011 10 0 BEAERP C[C@@H](c1cccs1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256841 176033846 /nfs/dbraw/zinc/03/38/46/176033846.db2.gz MIHDNGGEPCMZHF-QWRGUYRKSA-N 2 0 224.373 2.480 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764266 176070239 /nfs/dbraw/zinc/07/02/39/176070239.db2.gz MEBMBLCNLWDAQX-OLZOCXBDSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000019437763 176073562 /nfs/dbraw/zinc/07/35/62/176073562.db2.gz OGVXRKCJKAZMHG-LLVKDONJSA-N 2 0 231.343 2.345 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019479778 176101718 /nfs/dbraw/zinc/10/17/18/176101718.db2.gz JCGWXAHNHDWHOL-LLVKDONJSA-N 2 0 231.343 2.203 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])o2)[C@@H]1C ZINC000052373314 176102225 /nfs/dbraw/zinc/10/22/25/176102225.db2.gz OMEXHCWLITZGBI-GHMZBOCLSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@@H]1CCC[N@@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000037910085 176107914 /nfs/dbraw/zinc/10/79/14/176107914.db2.gz VGYIBIWODOFPLB-CYBMUJFWSA-N 2 0 248.370 2.399 10 0 BEAERP C[C@@H]1CC[N@@H+](C2CCCCC2)CCC[NH2+]1 ZINC000049665012 176167311 /nfs/dbraw/zinc/16/73/11/176167311.db2.gz JUKNHGAMDLEYGO-GFCCVEGCSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@@H]1CC[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000111763015 176170549 /nfs/dbraw/zinc/17/05/49/176170549.db2.gz RVRWYYPNTDCZFL-CYBMUJFWSA-N 2 0 240.391 2.020 10 0 BEAERP C[C@@H]1CC[N@H+](Cc2occc2C[NH2+]C2CC2)C1 ZINC000052484376 176178887 /nfs/dbraw/zinc/17/88/87/176178887.db2.gz MTWCQXHSZYEZQZ-LLVKDONJSA-N 2 0 234.343 2.373 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CC1CCCC1 ZINC000042427487 176223968 /nfs/dbraw/zinc/22/39/68/176223968.db2.gz PPPDKNRTKUJMCH-DGCLKSJQSA-N 2 0 210.365 2.236 10 0 BEAERP C[C@@H]1C[NH2+]CCC[N@H+](CCc2ccccc2)C1 ZINC000049664779 176323868 /nfs/dbraw/zinc/32/38/68/176323868.db2.gz CGPAJNUBNKCANU-CQSZACIVSA-N 2 0 232.371 2.161 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](c2cccc(OCC[NH+](C)C)c2)C1 ZINC000003705166 176330486 /nfs/dbraw/zinc/33/04/86/176330486.db2.gz CSDMOHBAUMDQQY-SWLSCSKDSA-N 2 0 248.370 2.298 10 0 BEAERP C[C@@H]1C[NH2+][C@@H](c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000003705118 176330599 /nfs/dbraw/zinc/33/05/99/176330599.db2.gz NUAMEKJUQIMRNT-SWLSCSKDSA-N 2 0 248.370 2.298 10 0 BEAERP C[C@H](c1cccs1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035737083 177048413 /nfs/dbraw/zinc/04/84/13/177048413.db2.gz XZDHMSCIVWBHAY-NXEZZACHSA-N 2 0 210.346 2.090 10 0 BEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC1 ZINC000044480013 177075017 /nfs/dbraw/zinc/07/50/17/177075017.db2.gz FROZWIGFEPQNPG-LBPRGKRZSA-N 2 0 210.365 2.393 10 0 BEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052378728 177077811 /nfs/dbraw/zinc/07/78/11/177077811.db2.gz DWMHOKLAUNIGJR-JTQLQIEISA-N 2 0 208.305 2.113 10 0 BEAERP C[C@H]1CCCC[C@H]1C[NH+]1CCC[NH2+]CCC1 ZINC000042867345 177085138 /nfs/dbraw/zinc/08/51/38/177085138.db2.gz CFOVPAXGHVIEDF-KBPBESRZSA-N 2 0 224.392 2.498 10 0 BEAERP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CCC([NH3+])CC1 ZINC000055144676 177096617 /nfs/dbraw/zinc/09/66/17/177096617.db2.gz LVZBVVSRPGNKFV-ZFDZMSFRSA-N 2 0 210.365 2.377 10 0 BEAERP C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000037910044 177111050 /nfs/dbraw/zinc/11/10/50/177111050.db2.gz KFZSYVRGFMGCJC-NSHDSACASA-N 2 0 204.317 2.130 10 0 BEAERP C[C@@H]1CCC[C@H](C)C1[NH+]1CCC(C[NH3+])CC1 ZINC000044511961 177114269 /nfs/dbraw/zinc/11/42/69/177114269.db2.gz XKKXWRVWBOFEBK-ONXXMXGDSA-N 2 0 224.392 2.482 10 0 BEAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657858 177117350 /nfs/dbraw/zinc/11/73/50/177117350.db2.gz CXIWKWIZBDVULW-PHIMTYICSA-N 2 0 246.358 2.129 10 0 BEAERP C[C@@H]1CC[N@H+](C2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049664894 177157434 /nfs/dbraw/zinc/15/74/34/177157434.db2.gz CEESMZWRVLGDIL-TXEJJXNPSA-N 2 0 210.365 2.391 10 0 BEAERP C[C@H]1CC[N@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000040725284 177160661 /nfs/dbraw/zinc/16/06/61/177160661.db2.gz UCOACPUCKCYKAV-JSGCOSHPSA-N 2 0 218.344 2.418 10 0 BEAERP C[C@H]1CC[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000040717077 177162396 /nfs/dbraw/zinc/16/23/96/177162396.db2.gz HBRZEMCNMJPMIL-GXTWGEPZSA-N 2 0 218.344 2.071 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000042427466 177200551 /nfs/dbraw/zinc/20/05/51/177200551.db2.gz DPFOMVJJLYPKFN-WDEREUQCSA-N 2 0 224.373 2.307 10 0 BEAERP C[C@H]1CC[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000039110722 177208621 /nfs/dbraw/zinc/20/86/21/177208621.db2.gz CRHBAGGSKRHZQC-KBPBESRZSA-N 2 0 224.392 2.450 10 0 BEAERP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935650 177274155 /nfs/dbraw/zinc/27/41/55/177274155.db2.gz GKCRVXGIXHVESL-STQMWFEESA-N 2 0 240.391 2.018 10 0 BEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380695 177274363 /nfs/dbraw/zinc/27/43/63/177274363.db2.gz HRDHGAZRFYAJFG-RWMBFGLXSA-N 2 0 240.391 2.016 10 0 BEAERP C[C@H]1C[NH2+]CCC[N@H+](CC2CCCC2)C1 ZINC000049666021 177281202 /nfs/dbraw/zinc/28/12/02/177281202.db2.gz RBUMIXUHBORKJA-LBPRGKRZSA-N 2 0 210.365 2.108 10 0 BEAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000034717598 177359186 /nfs/dbraw/zinc/35/91/86/177359186.db2.gz JIIBARCNVLBQFN-RYUDHWBXSA-N 2 0 245.370 2.449 10 0 BEAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cccc(F)c1 ZINC000049711361 177364830 /nfs/dbraw/zinc/36/48/30/177364830.db2.gz XGKLTGZLTJZDDX-SMDDNHRTSA-N 2 0 236.334 2.180 10 0 BEAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400317787 226340270 /nfs/dbraw/zinc/34/02/70/226340270.db2.gz ADAAYDOAXQPFIF-VOAKCMCISA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000400325063 226340540 /nfs/dbraw/zinc/34/05/40/226340540.db2.gz DDGPRLCVZLHSLU-NWDGAFQWSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400335427 226340976 /nfs/dbraw/zinc/34/09/76/226340976.db2.gz FFONLLMNIKRLNV-SGMGOOAPSA-N 2 0 218.344 2.335 10 0 BEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400398676 226342635 /nfs/dbraw/zinc/34/26/35/226342635.db2.gz JYHXTOJVTVJCDW-WDEREUQCSA-N 2 0 224.373 2.144 10 0 BEAERP CSCCCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400398003 226342685 /nfs/dbraw/zinc/34/26/85/226342685.db2.gz JTNUMGOLYVJELA-VXGBXAGGSA-N 2 0 230.421 2.107 10 0 BEAERP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400437859 226343293 /nfs/dbraw/zinc/34/32/93/226343293.db2.gz NEUYCBWZKSRHJB-OCCSQVGLSA-N 2 0 218.344 2.083 10 0 BEAERP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400437857 226343352 /nfs/dbraw/zinc/34/33/52/226343352.db2.gz NEUYCBWZKSRHJB-JSGCOSHPSA-N 2 0 218.344 2.083 10 0 BEAERP Cc1cscc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400452205 226344053 /nfs/dbraw/zinc/34/40/53/226344053.db2.gz RHOCHTZDYLEDMT-MNOVXSKESA-N 2 0 224.373 2.144 10 0 BEAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400558240 226346197 /nfs/dbraw/zinc/34/61/97/226346197.db2.gz ZTMAYHDDNXOIFH-BJJPWKGXSA-N 2 0 224.392 2.399 10 0 BEAERP Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400799867 229243426 /nfs/dbraw/zinc/24/34/26/229243426.db2.gz UHXAAPOBLNODAY-OCCSQVGLSA-N 2 0 218.344 2.083 10 0 BEAERP C[C@@H]1CCC[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309052360 229314621 /nfs/dbraw/zinc/31/46/21/229314621.db2.gz QLDSRBZBLIBIDG-FVCCEPFGSA-N 2 0 210.365 2.092 10 0 BEAERP C[N@H+](C[C@@H]1CCCCC1(F)F)C1CC([NH3+])C1 ZINC000384997066 487759342 /nfs/dbraw/zinc/75/93/42/487759342.db2.gz LLRZGPFYRMDRKZ-WHXUTIOJSA-N 2 0 232.318 2.233 10 0 BEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)c2ccccc21 ZINC000252766909 487833835 /nfs/dbraw/zinc/83/38/35/487833835.db2.gz GIKYBLNNYYEAMX-AZHAFVHUSA-N 2 0 246.354 2.024 10 0 BEAERP C(CC1CCCCC1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258946321 322879925 /nfs/dbraw/zinc/87/99/25/322879925.db2.gz QVMGJWQHLDYDEE-ZDUSSCGKSA-N 2 0 210.365 2.156 10 0 BEAERP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400341631 324166907 /nfs/dbraw/zinc/16/69/07/324166907.db2.gz HPNLABYFWAXZNR-RWMBFGLXSA-N 2 0 248.370 2.344 10 0 BEAERP CSCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566908981 326092899 /nfs/dbraw/zinc/09/28/99/326092899.db2.gz RSTQICKOBVTMNR-VXGBXAGGSA-N 2 0 230.421 2.107 10 0 BEAERP CC1(C)CC(C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000567648388 326238739 /nfs/dbraw/zinc/23/87/39/326238739.db2.gz JSZPQYOVHDYFJP-LBPRGKRZSA-N 2 0 210.365 2.154 10 0 BEAERP CC1(C)CC(C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000567648387 326238843 /nfs/dbraw/zinc/23/88/43/326238843.db2.gz JSZPQYOVHDYFJP-GFCCVEGCSA-N 2 0 210.365 2.154 10 0 BEAERP c1coc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000214171244 487979213 /nfs/dbraw/zinc/97/92/13/487979213.db2.gz GHHUAUIKMRPVSC-ZDUSSCGKSA-N 2 0 248.370 2.459 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662266586 487503897 /nfs/dbraw/zinc/50/38/97/487503897.db2.gz NIONPDIVYPISIM-KXNHARMFSA-N 2 0 246.345 2.337 10 0 BEAERP CC(C)(C[NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000258970424 488144684 /nfs/dbraw/zinc/14/46/84/488144684.db2.gz TXFZLFFAQXWIAY-ZDUSSCGKSA-N 2 0 232.371 2.163 10 0 BEAERP CN1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129296644 490058818 /nfs/dbraw/zinc/05/88/18/490058818.db2.gz NALQMLJHVRARCP-UKRRQHHQSA-N 2 0 248.345 2.497 10 0 BEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400944081 491069165 /nfs/dbraw/zinc/06/91/65/491069165.db2.gz CIILHAXTNUUFJZ-RGDJUOJXSA-N 2 0 222.376 2.153 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123909803 491121157 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ZINC000400394581 533975670 /nfs/dbraw/zinc/97/56/70/533975670.db2.gz JDBAEGVKUMGXDG-DCAQKATOSA-N 2 0 224.373 2.397 10 0 BEAERP CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000238856334 519848362 /nfs/dbraw/zinc/84/83/62/519848362.db2.gz VQBZYKSDBIFFKV-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP CC(C)CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400349550 527844603 /nfs/dbraw/zinc/84/46/03/527844603.db2.gz JJHOZGUOWSONRM-YNEHKIRRSA-N 2 0 212.381 2.399 10 0 BEAERP CCCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400457920 528061839 /nfs/dbraw/zinc/06/18/39/528061839.db2.gz QNLOPWCEMBCMRA-NEPJUHHUSA-N 2 0 210.365 2.154 10 0 BEAERP CCC[C@H](CC)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309030791 528091524 /nfs/dbraw/zinc/09/15/24/528091524.db2.gz BKMHUSNNYKKORA-FRRDWIJNSA-N 2 0 212.381 2.482 10 0 BEAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400744764 529312358 /nfs/dbraw/zinc/31/23/58/529312358.db2.gz UGJZIOLDSUREOJ-NDBYEHHHSA-N 2 0 210.365 2.153 10 0 BEAERP 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240.391 2.020 10 0 BEAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757126662 582501156 /nfs/dbraw/zinc/50/11/56/582501156.db2.gz GGLPYBCRSVCGPH-TZMCWYRMSA-N 2 0 222.376 2.393 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126374 582501383 /nfs/dbraw/zinc/50/13/83/582501383.db2.gz FLJVLYOOVHKRJL-BZPMIXESSA-N 2 0 222.376 2.391 10 0 BEAERP COCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757129535 582504221 /nfs/dbraw/zinc/50/42/21/582504221.db2.gz LVPKSLOZKOSVLV-MELADBBJSA-N 2 0 240.391 2.018 10 0 BEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@@H](C)C[C@H](C)O2 ZINC000757151631 582536382 /nfs/dbraw/zinc/53/63/82/582536382.db2.gz RETVTCRDZUUYQI-STQMWFEESA-N 2 0 240.391 2.221 10 0 BEAERP CC(=O)c1ccc([C@@H]2[NH2+][C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC000757218007 582562501 /nfs/dbraw/zinc/56/25/01/582562501.db2.gz UMTKNVQIJNRTKN-KMUNFCNLSA-N 2 0 246.354 2.277 10 0 BEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2ccccc2)[NH2+]1 ZINC000757218697 582563187 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ZINC000757211582 586438813 /nfs/dbraw/zinc/43/88/13/586438813.db2.gz HRLZYEROWKQEBF-QWRGUYRKSA-N 2 0 218.344 2.389 10 0 BEAERP [NH3+]CC[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000757215985 586440783 /nfs/dbraw/zinc/44/07/83/586440783.db2.gz OEVLJPMDXNULOY-DGCLKSJQSA-N 2 0 204.317 2.076 10 0 BEAERP C[C@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216510 586441068 /nfs/dbraw/zinc/44/10/68/586441068.db2.gz QAIMKJKSEOXSTN-GWCFXTLKSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CC[C@@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757216467 586441235 /nfs/dbraw/zinc/44/12/35/586441235.db2.gz PRAOCHHZTZVDRA-MFKMUULPSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cccs2)[NH2+]1 ZINC000757217129 586441298 /nfs/dbraw/zinc/44/12/98/586441298.db2.gz RFQVOEIUGANPQQ-XNDJQWLSSA-N 2 0 224.373 2.382 10 0 BEAERP C[C@@H]1CC[NH2+][C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216516 586441302 /nfs/dbraw/zinc/44/13/02/586441302.db2.gz QAIMKJKSEOXSTN-ZWNOBZJWSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2ccccc2)[NH2+]1 ZINC000757217415 586441619 /nfs/dbraw/zinc/44/16/19/586441619.db2.gz RTWUVJCFIAWECV-RTXFEEFZSA-N 2 0 204.317 2.075 10 0 BEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217908 586441722 /nfs/dbraw/zinc/44/17/22/586441722.db2.gz TZJIIASWNBHJEX-JLUCKKNBSA-N 2 0 246.354 2.133 10 0 BEAERP C[C@H]1CCC[NH2+][C@@H]1c1cccc(C[NH3+])c1 ZINC000757217740 586441763 /nfs/dbraw/zinc/44/17/63/586441763.db2.gz SDYNUDAYVFKHHV-GWCFXTLKSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccsc2)[NH2+]1 ZINC000757219092 586442033 /nfs/dbraw/zinc/44/20/33/586442033.db2.gz YBOQIHCDELCXDE-YWVKMMECSA-N 2 0 210.346 2.136 10 0 BEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccsc2)[NH2+]1 ZINC000757219091 586442049 /nfs/dbraw/zinc/44/20/49/586442049.db2.gz YBOQIHCDELCXDE-WCABBAIRSA-N 2 0 210.346 2.136 10 0 BEAERP CC1(c2ccc([C@@H]3C[NH2+]C[C@@H]([NH3+])C3)cc2)CC1 ZINC000757219340 586442403 /nfs/dbraw/zinc/44/24/03/586442403.db2.gz WXHSQQWXRJKALL-JSGCOSHPSA-N 2 0 230.355 2.142 10 0 BEAERP [NH3+]CC[C@@H]1CC[C@H](c2ccsc2)[NH2+]C1 ZINC000757218862 586442447 /nfs/dbraw/zinc/44/24/47/586442447.db2.gz XHHVHPZFYMBDDS-GXSJLCMTSA-N 2 0 210.346 2.138 10 0 BEAERP C[C@@H]1C[C@H]([C@H]2[NH2+]C[C@@H](C)C[C@@H]2C)CC[NH2+]1 ZINC000757228647 586442571 /nfs/dbraw/zinc/44/25/71/586442571.db2.gz DLPBAYWPPBNAMF-YYHQMBLXSA-N 2 0 210.365 2.009 10 0 BEAERP C[C@H]1CC[C@@H](c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000757220878 586442771 /nfs/dbraw/zinc/44/27/71/586442771.db2.gz ZYXYJPJVGHYGTL-GXFFZTMASA-N 2 0 204.317 2.001 10 0 BEAERP C[C@H]1C[C@@H](c2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC000757237333 586443529 /nfs/dbraw/zinc/44/35/29/586443529.db2.gz PXJPQWABQCYCPV-RYUDHWBXSA-N 2 0 230.355 2.188 10 0 BEAERP C[C@@]1(C[NH+]2CCCCCCC2)CC[NH2+]C1 ZINC000062911016 633136878 /nfs/dbraw/zinc/13/68/78/633136878.db2.gz UMCNBNNTVIFUKT-CYBMUJFWSA-N 2 0 210.365 2.252 10 0 BEAERP Cc1[nH+]ccc(N2CC[C@@H](CC[NH3+])C2)c1Cl ZINC000309375115 633902794 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Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000724023870 711556777 /nfs/dbraw/zinc/55/67/77/711556777.db2.gz PQLMNLAZDKDREC-KBPBESRZSA-N 2 0 247.386 2.306 10 0 BEAERP C[C@H]([NH2+]CCC1CC=CC1)[C@@H]1CCC[NH2+]C1 ZINC000724184553 711567705 /nfs/dbraw/zinc/56/77/05/711567705.db2.gz KMXRJLLSULXLKH-GXTWGEPZSA-N 2 0 222.376 2.320 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000111273585 711803249 /nfs/dbraw/zinc/80/32/49/711803249.db2.gz XIBHCVOESWLMEB-CJNGLKHVSA-N 2 0 244.382 2.290 10 0 BEAERP CC(C)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709867370 712230048 /nfs/dbraw/zinc/23/00/48/712230048.db2.gz JCTKZZCBSQGKTR-STQMWFEESA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000712764463 712449292 /nfs/dbraw/zinc/44/92/92/712449292.db2.gz NDOWNERMCCAMIQ-ZRJCITRHSA-N 2 0 222.376 2.010 10 0 BEAERP Cc1cc(N(C)C2(C[NH3+])CCCCC2)cc[nH+]1 ZINC000713369963 712459870 /nfs/dbraw/zinc/45/98/70/712459870.db2.gz BVADOCPOTBAGMY-UHFFFAOYSA-N 2 0 233.359 2.488 10 0 BEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000716546449 712567605 /nfs/dbraw/zinc/56/76/05/712567605.db2.gz PLWPQLAAMJIMDX-XGFWRYKXSA-N 2 0 222.376 2.010 10 0 BEAERP C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000717068687 712627876 /nfs/dbraw/zinc/62/78/76/712627876.db2.gz QJJCZEBCVDRKOM-FQUUOJAGSA-N 2 0 222.376 2.154 10 0 BEAERP C[NH2+]CCN(c1cc[nH+]c(C)c1Cl)C(C)C ZINC000720799185 712866518 /nfs/dbraw/zinc/86/65/18/712866518.db2.gz MCTOMLLNYJOVHU-UHFFFAOYSA-N 2 0 241.766 2.478 10 0 BEAERP CCc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc(C)n1 ZINC000721028543 712887496 /nfs/dbraw/zinc/88/74/96/712887496.db2.gz QJBGXDPTAQEJPJ-ZYHUDNBSSA-N 2 0 248.374 2.005 10 0 BEAERP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1 ZINC000049502225 1171702855 /nfs/dbraw/zinc/70/28/55/1171702855.db2.gz IIXCWAGIFABRNM-LBPRGKRZSA-N 2 0 219.332 2.368 10 0 BEAERP c1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000049568931 1171705618 /nfs/dbraw/zinc/70/56/18/1171705618.db2.gz OEWYGVRZCRTKIU-QWHCGFSZSA-N 2 0 217.316 2.120 10 0 BEAERP CCc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000052200236 1171947983 /nfs/dbraw/zinc/94/79/83/1171947983.db2.gz HQQRIFSXLJYJAV-UHFFFAOYSA-N 2 0 220.360 2.290 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685954100 538898812 /nfs/dbraw/zinc/89/88/12/538898812.db2.gz LASOZELEFIPBGQ-MROQNXINSA-N 2 0 210.365 2.234 10 0 BEAERP CC(C)C1([NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000685960854 538907444 /nfs/dbraw/zinc/90/74/44/538907444.db2.gz FRYVLQFTAHNFIR-UHFFFAOYSA-N 2 0 224.392 2.497 10 0 BEAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCC[C@@H](C)C2 ZINC000685953117 538897603 /nfs/dbraw/zinc/89/76/03/538897603.db2.gz GEOJHZJSLOOTFB-JHJVBQTASA-N 2 0 210.365 2.377 10 0 BEAERP CSCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000235178708 136210762 /nfs/dbraw/zinc/21/07/62/136210762.db2.gz FVEWPZYPGZETRP-LBPRGKRZSA-N 2 0 230.421 2.251 10 0 BEAERP CCC(CC)(C[NH3+])C[NH+]1CCC(C)CC1 ZINC000051207820 168323095 /nfs/dbraw/zinc/32/30/95/168323095.db2.gz MWBNWHHNAXFLGA-UHFFFAOYSA-N 2 0 212.381 2.483 10 0 BEAERP CCC(CC)(C[NH2+]C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934231 168325370 /nfs/dbraw/zinc/32/53/70/168325370.db2.gz MMLJKOXVEYPYSH-CYBMUJFWSA-N 2 0 242.407 2.123 10 0 BEAERP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422943378 398159648 /nfs/dbraw/zinc/15/96/48/398159648.db2.gz LGDGASHGMQFRCP-HNGCFSAESA-N 2 0 210.365 2.294 10 0 BEAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381590219 398253941 /nfs/dbraw/zinc/25/39/41/398253941.db2.gz DIRSECRDHRRGFI-IJLUTSLNSA-N 2 0 246.345 2.481 10 0 BEAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000576742963 365672333 /nfs/dbraw/zinc/67/23/33/365672333.db2.gz MZGURPUZXBAUFC-JSGCOSHPSA-N 2 0 222.376 2.465 10 0 BEAERP CCC(CC)[N@H+](CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042681745 168373461 /nfs/dbraw/zinc/37/34/61/168373461.db2.gz WYHAQCOTBIFSJF-ZDUSSCGKSA-N 2 0 242.407 2.266 10 0 BEAERP CCC(CC)[N@H+](CCOC)[C@@H](CC)CC(N)=[NH2+] ZINC000042679990 168374139 /nfs/dbraw/zinc/37/41/39/168374139.db2.gz RRICVMAQMQYFQX-LBPRGKRZSA-N 2 0 243.395 2.228 10 0 BEAERP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690696 398269529 /nfs/dbraw/zinc/26/95/29/398269529.db2.gz NKWPOQMYGBDPDQ-VXGBXAGGSA-N 2 0 246.345 2.483 10 0 BEAERP C[NH2+]C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381647144 398268678 /nfs/dbraw/zinc/26/86/78/398268678.db2.gz XZGLUYWDCRDWEH-NSHDSACASA-N 2 0 246.345 2.496 10 0 BEAERP C[NH2+]C[C@H]1CCCN1C[C@@H]1CCCCC1(F)F ZINC000381666544 398268876 /nfs/dbraw/zinc/26/88/76/398268876.db2.gz KNVFGDRCQYPAKX-NWDGAFQWSA-N 2 0 246.345 2.496 10 0 BEAERP C[C@H]1C[NH2+][C@H](c2cccc(OCC[NH+](C)C)c2)C1 ZINC000003705165 342736963 /nfs/dbraw/zinc/73/69/63/342736963.db2.gz CSDMOHBAUMDQQY-DOMZBBRYSA-N 2 0 248.370 2.298 10 0 BEAERP CC[NH+]1CCC([C@H]2CCCCC[NH2+]2)CC1 ZINC000003735126 342737345 /nfs/dbraw/zinc/73/73/45/342737345.db2.gz NDGUOQRTXFWDMX-CYBMUJFWSA-N 2 0 210.365 2.251 10 0 BEAERP CC(C)C[NH+](CCSC(N)=[NH2+])CC(C)C ZINC000005759232 342769431 /nfs/dbraw/zinc/76/94/31/342769431.db2.gz GOHXLOBWMRFUSA-UHFFFAOYSA-N 2 0 231.409 2.227 10 0 BEAERP C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC000050566553 539011090 /nfs/dbraw/zinc/01/10/90/539011090.db2.gz OXFMRIAUDDFZDK-VXGBXAGGSA-N 2 0 210.365 2.249 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000166 398335643 /nfs/dbraw/zinc/33/56/43/398335643.db2.gz XHWZSUKNMZALAZ-STQMWFEESA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943670 343017159 /nfs/dbraw/zinc/01/71/59/343017159.db2.gz SKFLXHAZRNMENM-GFCCVEGCSA-N 2 0 230.355 2.317 10 0 BEAERP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400765500 529656849 /nfs/dbraw/zinc/65/68/49/529656849.db2.gz ZCTUKFAUXRWUQC-GHMZBOCLSA-N 2 0 238.400 2.398 10 0 BEAERP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400362208 259353938 /nfs/dbraw/zinc/35/39/38/259353938.db2.gz DLNFJEIOBWPIKY-GWCFXTLKSA-N 2 0 222.376 2.010 10 0 BEAERP CC[C@H]1CC[C@@H](CC[NH+]2CCCC2)[NH2+]C1 ZINC000238300893 343255434 /nfs/dbraw/zinc/25/54/34/343255434.db2.gz ZNHJTBIWSIYVQQ-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP CC[NH2+][C@H](C)CNc1cc(C)[nH+]c2ccccc12 ZINC000387624711 346968161 /nfs/dbraw/zinc/96/81/61/346968161.db2.gz CWZGYPQSZCLZTK-GFCCVEGCSA-N 2 0 243.354 2.375 10 0 BEAERP C[C@@H]1[C@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409431596 343823841 /nfs/dbraw/zinc/82/38/41/343823841.db2.gz RJPWPILRMFONAL-VHDGCEQUSA-N 2 0 230.355 2.069 10 0 BEAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](OC)C2)cc1 ZINC000117575466 344747618 /nfs/dbraw/zinc/74/76/18/344747618.db2.gz JNAGYJJPVVQTEO-HNNXBMFYSA-N 2 0 248.370 2.017 10 0 BEAERP Cc1cc(F)ccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999664 345200016 /nfs/dbraw/zinc/20/00/16/345200016.db2.gz XOCUEKZOXISMEW-AAEUAGOBSA-N 2 0 236.334 2.161 10 0 BEAERP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000634998032 345202905 /nfs/dbraw/zinc/20/29/05/345202905.db2.gz ZHZYUFMZEFIQQX-AVGNSLFASA-N 2 0 222.376 2.297 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000635002690 345204876 /nfs/dbraw/zinc/20/48/76/345204876.db2.gz XFJBYENYBHAIIX-WZRBSPASSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H](CC1CCC1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000635002687 345205126 /nfs/dbraw/zinc/20/51/26/345205126.db2.gz XFJBYENYBHAIIX-MDZLAQPJSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H](c1ccco1)N1CCCC[C@H]1C[NH3+] ZINC000251234158 345490132 /nfs/dbraw/zinc/49/01/32/345490132.db2.gz CQYOUXHDTANJDL-MNOVXSKESA-N 2 0 208.305 2.154 10 0 BEAERP [NH2+]=C(CCC1CC[NH+](C2CCCC2)CC1)NO ZINC000168084200 345808953 /nfs/dbraw/zinc/80/89/53/345808953.db2.gz ALTGOGLEPIYONU-UHFFFAOYSA-N 2 0 239.363 2.377 10 0 BEAERP [NH3+]CCCOc1cccc(C[N@H+]2CC=CCC2)c1 ZINC000034224153 345819486 /nfs/dbraw/zinc/81/94/86/345819486.db2.gz KZHFWNYETNRKCY-UHFFFAOYSA-N 2 0 246.354 2.176 10 0 BEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000257350888 345773070 /nfs/dbraw/zinc/77/30/70/345773070.db2.gz ATRGEZAPTSAXQR-DCAQKATOSA-N 2 0 208.305 2.200 10 0 BEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000257351432 345773938 /nfs/dbraw/zinc/77/39/38/345773938.db2.gz FAVMBQGEOHMFTM-ZKCHVHJHSA-N 2 0 245.779 2.156 10 0 BEAERP c1cc2c3c(ccc4c3c1C[NH2+]C4)C[NH2+]C2 ZINC000034590600 345834384 /nfs/dbraw/zinc/83/43/84/345834384.db2.gz HITIEOYNGDBUDI-UHFFFAOYSA-N 2 0 210.280 2.046 10 0 BEAERP Cc1cccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000062911516 179067978 /nfs/dbraw/zinc/06/79/78/179067978.db2.gz LSKQNTSSSHNNEI-HNNXBMFYSA-N 2 0 232.371 2.426 10 0 BEAERP Cc1cccc(OC[C@@H](CC[NH3+])[NH+]2CCCC2)c1 ZINC000020401964 179171328 /nfs/dbraw/zinc/17/13/28/179171328.db2.gz WKGJDCAIBFWEDU-CQSZACIVSA-N 2 0 248.370 2.187 10 0 BEAERP [NH3+]CCCOc1cccc(C[NH+]2CCCC2)c1 ZINC000039292876 347188546 /nfs/dbraw/zinc/18/85/46/347188546.db2.gz QXKZJYVGGKDGHX-UHFFFAOYSA-N 2 0 234.343 2.010 10 0 BEAERP Cc1cccc([C@@H]2[C@@H](C[NH3+])CCC[N@H+]2C)c1 ZINC000069796290 179191888 /nfs/dbraw/zinc/19/18/88/179191888.db2.gz ZBVPUWCLZURXGD-ZIAGYGMSSA-N 2 0 218.344 2.337 10 0 BEAERP [NH3+]Cc1cc(Cl)cc(C[NH+]2CCCC2)c1 ZINC000669380405 537989538 /nfs/dbraw/zinc/98/95/38/537989538.db2.gz YNLLUNJTCBNLIW-UHFFFAOYSA-N 2 0 224.735 2.395 10 0 BEAERP Cc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH3+] ZINC000037713836 179221292 /nfs/dbraw/zinc/22/12/92/179221292.db2.gz BWBPPLQLMTXHFH-CYBMUJFWSA-N 2 0 234.343 2.147 10 0 BEAERP Cc1ccccc1C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911522 179269288 /nfs/dbraw/zinc/26/92/88/179269288.db2.gz TXYBUXJYOSNXJB-HNNXBMFYSA-N 2 0 232.371 2.426 10 0 BEAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000062609093 179273385 /nfs/dbraw/zinc/27/33/85/179273385.db2.gz AJGMAEBBERGERR-ZDUSSCGKSA-N 2 0 218.344 2.179 10 0 BEAERP Cc1ccccc1C[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049666759 179274835 /nfs/dbraw/zinc/27/48/35/179274835.db2.gz RWKCPYUNAWJFMF-CYBMUJFWSA-N 2 0 232.371 2.426 10 0 BEAERP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000563796845 323177939 /nfs/dbraw/zinc/17/79/39/323177939.db2.gz OJHGGUUMYRUYDM-AAEUAGOBSA-N 2 0 210.365 2.154 10 0 BEAERP COc1ccc([C@@H]([NH2+]CCCC[NH3+])C2CC2)cc1 ZINC000037715486 187392175 /nfs/dbraw/zinc/39/21/75/187392175.db2.gz KKVNRKSAVUAXGX-HNNXBMFYSA-N 2 0 248.370 2.475 10 0 BEAERP C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000052380762 187395496 /nfs/dbraw/zinc/39/54/96/187395496.db2.gz WGVAHBURXCRAAF-CHWSQXEVSA-N 2 0 248.370 2.015 10 0 BEAERP Cc1[nH+]ccc(N[C@H](C)CC[NH3+])c1Cl ZINC000307223589 180206069 /nfs/dbraw/zinc/20/60/69/180206069.db2.gz RVYDEUONCXQJRD-SSDOTTSWSA-N 2 0 213.712 2.193 10 0 BEAERP CC[N@@H+]1CCC[C@@H](c2ccc(N)nc2)CC1 ZINC000616610456 350805559 /nfs/dbraw/zinc/80/55/59/350805559.db2.gz JYQCRPOKRNNWGJ-LLVKDONJSA-N 2 0 219.332 2.084 10 0 BEAERP CCCC[C@@H](C[NH3+])Nc1cc[nH+]c(C)c1Cl ZINC000336677207 350885708 /nfs/dbraw/zinc/88/57/08/350885708.db2.gz VZIPQMULGATFPV-JTQLQIEISA-N 2 0 241.766 2.395 10 0 BEAERP C[N@H+](Cc1ccoc1C[NH3+])Cc1ccccc1 ZINC000052417462 350991906 /nfs/dbraw/zinc/99/19/06/350991906.db2.gz PAOXYFQZRFULOR-UHFFFAOYSA-N 2 0 230.311 2.370 10 0 BEAERP C[C@H]1C/C(=C/C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000307047408 351447030 /nfs/dbraw/zinc/44/70/30/351447030.db2.gz FIEGIEYTXGRTDN-OBTCNRAFSA-N 2 0 216.328 2.166 10 0 BEAERP C1CCC([NH+]2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000082539261 187492208 /nfs/dbraw/zinc/49/22/08/187492208.db2.gz KVXGMKTZFZRHLT-UHFFFAOYSA-N 2 0 222.376 2.395 10 0 BEAERP C[NH+](C)[C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304072 351560220 /nfs/dbraw/zinc/56/02/20/351560220.db2.gz NGMVPAQWEPDLCT-RWMBFGLXSA-N 2 0 210.365 2.249 10 0 BEAERP CC(=[NH2+])N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307219237 351619761 /nfs/dbraw/zinc/61/97/61/351619761.db2.gz WCCMICPLNIDCQC-FZMZJTMJSA-N 2 0 231.343 2.236 10 0 BEAERP CCC(CC)[NH2+]C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270070 538101894 /nfs/dbraw/zinc/10/18/94/538101894.db2.gz GUMLGVAZMCVRLH-OTTFEQOBSA-N 2 0 210.365 2.425 10 0 BEAERP C[C@H]1CCC[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725270478 538102091 /nfs/dbraw/zinc/10/20/91/538102091.db2.gz OJXCWMMYSHDLCO-AHPWVWPOSA-N 2 0 222.376 2.378 10 0 BEAERP C[C@H]1CCC[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725270480 538102312 /nfs/dbraw/zinc/10/23/12/538102312.db2.gz OJXCWMMYSHDLCO-RJZJGCCBSA-N 2 0 222.376 2.378 10 0 BEAERP CC[N@H+](C(C)C)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725271048 538103211 /nfs/dbraw/zinc/10/32/11/538103211.db2.gz VPKOAMZXOBVURW-CPCZMJQVSA-N 2 0 210.365 2.377 10 0 BEAERP CC(=[NH2+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000307471198 352612791 /nfs/dbraw/zinc/61/27/91/352612791.db2.gz WPTHTAYJVJHYOO-RISCZKNCSA-N 2 0 231.343 2.094 10 0 BEAERP C[C@@H]1CCC[C@@H](C2=CC[C@@](C)([NH3+])CC2)[NH2+]1 ZINC000725273172 538104563 /nfs/dbraw/zinc/10/45/63/538104563.db2.gz WRCYSXCVGVYPSH-KGYLQXTDSA-N 2 0 208.349 2.345 10 0 BEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000307406149 352581296 /nfs/dbraw/zinc/58/12/96/352581296.db2.gz DCDLJOKASDKHAU-GXTWGEPZSA-N 2 0 218.344 2.103 10 0 BEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)C[NH3+] ZINC000307406150 352581314 /nfs/dbraw/zinc/58/13/14/352581314.db2.gz DCDLJOKASDKHAU-JSGCOSHPSA-N 2 0 218.344 2.103 10 0 BEAERP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000307520127 352633454 /nfs/dbraw/zinc/63/34/54/352633454.db2.gz PQQYOQSQTYORES-BXUZGUMPSA-N 2 0 231.343 2.236 10 0 BEAERP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000307520129 352633801 /nfs/dbraw/zinc/63/38/01/352633801.db2.gz PQQYOQSQTYORES-RISCZKNCSA-N 2 0 231.343 2.236 10 0 BEAERP [NH3+]CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000306846863 353042469 /nfs/dbraw/zinc/04/24/69/353042469.db2.gz IYIGGQWFACQAML-VIFPVBQESA-N 2 0 219.115 2.342 10 0 BEAERP CC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000059183088 353144098 /nfs/dbraw/zinc/14/40/98/353144098.db2.gz VPBGDQKEFJMKRI-UHFFFAOYSA-N 2 0 231.343 2.238 10 0 BEAERP COc1ccc([C@@H]([NH2+]CCC[NH3+])C2CC2)cc1 ZINC000037713781 188083109 /nfs/dbraw/zinc/08/31/09/188083109.db2.gz OJXCVURPTSUALQ-AWEZNQCLSA-N 2 0 234.343 2.085 10 0 BEAERP COc1ccc(C[NH+]2CCCCC2)cc1C[NH3+] ZINC000016942201 188107070 /nfs/dbraw/zinc/10/70/70/188107070.db2.gz XVCXEXWNVKCKST-UHFFFAOYSA-N 2 0 234.343 2.140 10 0 BEAERP COc1ccc(C[N@H+](C)CCCCC(N)=[NH2+])cc1 ZINC000049579782 188125344 /nfs/dbraw/zinc/12/53/44/188125344.db2.gz AMOOLOWSAVHGCO-UHFFFAOYSA-N 2 0 249.358 2.233 10 0 BEAERP C[NH2+][C@@H]1CC[N@H+](CCc2cccs2)[C@H](C)C1 ZINC000049712301 188125545 /nfs/dbraw/zinc/12/55/45/188125545.db2.gz OXCONWNPOFMHIS-VXGBXAGGSA-N 2 0 238.400 2.363 10 0 BEAERP C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405532274 353796603 /nfs/dbraw/zinc/79/66/03/353796603.db2.gz YMGDCRMGDSALPQ-ZIAGYGMSSA-N 2 0 230.355 2.388 10 0 BEAERP NC(=[NH2+])c1ccccc1C[NH+]1CCCCCC1 ZINC000019436259 181196460 /nfs/dbraw/zinc/19/64/60/181196460.db2.gz DIEZNHMYUFOZET-UHFFFAOYSA-N 2 0 231.343 2.347 10 0 BEAERP [NH2+]=C(NCCC[NH+]1CCCC1)c1ccccc1 ZINC000062994263 181198767 /nfs/dbraw/zinc/19/87/67/181198767.db2.gz JNPWVTAYWHOFSL-UHFFFAOYSA-N 2 0 231.343 2.087 10 0 BEAERP C1=CC[C@H](CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC000530217967 355899542 /nfs/dbraw/zinc/89/95/42/355899542.db2.gz DAZTTWKFZWFELW-LBPRGKRZSA-N 2 0 208.349 2.074 10 0 BEAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)Oc1ccccc1 ZINC000422983343 192517753 /nfs/dbraw/zinc/51/77/53/192517753.db2.gz TUSUQZJEDLICEY-HSBZDZAISA-N 2 0 248.370 2.313 10 0 BEAERP CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050973 538473393 /nfs/dbraw/zinc/47/33/93/538473393.db2.gz DTYKPKJKKKERNM-QWHCGFSZSA-N 2 0 210.365 2.012 10 0 BEAERP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(C)c1 ZINC000675055565 538475735 /nfs/dbraw/zinc/47/57/35/538475735.db2.gz VEKJNMBFSFMXOD-KBPBESRZSA-N 2 0 218.344 2.479 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000582540708 357338575 /nfs/dbraw/zinc/33/85/75/357338575.db2.gz WVTAZOXEQXNWFF-RWMBFGLXSA-N 2 0 208.349 2.073 10 0 BEAERP CC(C)[NH2+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000685947455 538889326 /nfs/dbraw/zinc/88/93/26/538889326.db2.gz NNOPUZYIQZTWDO-AVGNSLFASA-N 2 0 210.365 2.153 10 0 BEAERP C[C@@H]1CCC[C@H](C2=CC[C@]3(C[C@H]3[NH3+])CC2)[NH2+]1 ZINC000685950410 538893831 /nfs/dbraw/zinc/89/38/31/538893831.db2.gz PEUCOYPEMMRCHQ-FMKGYKFTSA-N 2 0 220.360 2.345 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1CCCCCC1 ZINC000685951732 538895542 /nfs/dbraw/zinc/89/55/42/538895542.db2.gz WNPYJZRQRMVBCI-ITGUQSILSA-N 2 0 210.365 2.106 10 0 BEAERP CC(C)=CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000584774312 358175096 /nfs/dbraw/zinc/17/50/96/358175096.db2.gz MXABFGWQYFWBQW-OLZOCXBDSA-N 2 0 210.365 2.320 10 0 BEAERP CC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219857240 134292027 /nfs/dbraw/zinc/29/20/27/134292027.db2.gz JQYHFVFSXOIBRJ-OLZOCXBDSA-N 2 0 210.365 2.108 10 0 BEAERP CCCc1nccn1Cc1nccn1CC ZINC000070424262 359053090 /nfs/dbraw/zinc/05/30/90/359053090.db2.gz USTKFUIFYXNFCK-UHFFFAOYSA-N 2 0 218.304 2.100 10 0 BEAERP C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000257360555 359342253 /nfs/dbraw/zinc/34/22/53/359342253.db2.gz FTIJVWUYXLEMTG-HIFRSBDPSA-N 2 0 232.371 2.288 10 0 BEAERP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287048 359520282 /nfs/dbraw/zinc/52/02/82/359520282.db2.gz ZCCZVFYYURWFIW-CABCVRRESA-N 2 0 230.355 2.247 10 0 BEAERP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000306571224 360458053 /nfs/dbraw/zinc/45/80/53/360458053.db2.gz GVHHBRRVHYGCAV-IUODEOHRSA-N 2 0 245.370 2.484 10 0 BEAERP Cc1ccsc1[C@H]1[C@H](C[NH3+])CC[N@H+]1C ZINC000069796097 360557558 /nfs/dbraw/zinc/55/75/58/360557558.db2.gz TYFSIFPOEJGSAA-VHSXEESVSA-N 2 0 210.346 2.008 10 0 BEAERP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)OCC ZINC000629515047 361112486 /nfs/dbraw/zinc/11/24/86/361112486.db2.gz PUXIVXGGIWHSRQ-HZSPNIEDSA-N 2 0 242.407 2.169 10 0 BEAERP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000622044089 370675678 /nfs/dbraw/zinc/67/56/78/370675678.db2.gz UMYWQASWHVYMRA-DCAQKATOSA-N 2 0 232.318 2.009 10 0 BEAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCC12CC2 ZINC000629553922 361440019 /nfs/dbraw/zinc/44/00/19/361440019.db2.gz DSWCCZXQIILQSW-CHWSQXEVSA-N 2 0 222.376 2.298 10 0 BEAERP C[C@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)C[NH2+]1 ZINC000630535740 364231422 /nfs/dbraw/zinc/23/14/22/364231422.db2.gz ZMLXRFOZTCIYBW-RYUDHWBXSA-N 2 0 241.338 2.209 10 0 BEAERP Cc1[nH+]ccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000630554190 364250509 /nfs/dbraw/zinc/25/05/09/364250509.db2.gz OSRXPNOZOPZYRZ-SCZZXKLOSA-N 2 0 239.750 2.074 10 0 BEAERP [NH3+]CCCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000049580709 181375314 /nfs/dbraw/zinc/37/53/14/181375314.db2.gz YNOPQPSCQRDKJC-AWEZNQCLSA-N 2 0 233.359 2.348 10 0 BEAERP [NH3+]CCC[NH2+][C@H]1CCCc2sccc21 ZINC000061328167 181383097 /nfs/dbraw/zinc/38/30/97/181383097.db2.gz NYBHLCIENHYMCQ-JTQLQIEISA-N 2 0 210.346 2.064 10 0 BEAERP C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382426424 367520723 /nfs/dbraw/zinc/52/07/23/367520723.db2.gz XOEOAEMAAGPFBQ-YRGRVCCFSA-N 2 0 233.359 2.059 10 0 BEAERP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000631837813 369103847 /nfs/dbraw/zinc/10/38/47/369103847.db2.gz XLUNVEKWODRWFX-GRYCIOLGSA-N 2 0 246.345 2.339 10 0 BEAERP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000631839949 369191383 /nfs/dbraw/zinc/19/13/83/369191383.db2.gz NEVFXQZDWVQKFL-YPMHNXCESA-N 2 0 210.365 2.093 10 0 BEAERP [NH3+][C@@H](CC[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000042825432 181544280 /nfs/dbraw/zinc/54/42/80/181544280.db2.gz ZVPUKZGBODGHEU-GJZGRUSLSA-N 2 0 248.370 2.235 10 0 BEAERP [NH3+][C@H](CC[NH+]1CCCC1)c1cccc(F)c1 ZINC000053976253 181614668 /nfs/dbraw/zinc/61/46/68/181614668.db2.gz IIJPBSFRPQQBPJ-CYBMUJFWSA-N 2 0 222.307 2.311 10 0 BEAERP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837120 372627877 /nfs/dbraw/zinc/62/78/77/372627877.db2.gz NBLOHWQOODGQFJ-AXFHLTTASA-N 2 0 234.334 2.194 10 0 BEAERP CCC(C)(C)CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837981 372629357 /nfs/dbraw/zinc/62/93/57/372629357.db2.gz YLUVTZHTSBIQDK-NEPJUHHUSA-N 2 0 212.381 2.339 10 0 BEAERP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000631838399 372630693 /nfs/dbraw/zinc/63/06/93/372630693.db2.gz NPRBZFSBAVAZSQ-RNCFNFMXSA-N 2 0 238.400 2.392 10 0 BEAERP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000631838401 372631795 /nfs/dbraw/zinc/63/17/95/372631795.db2.gz NPRBZFSBAVAZSQ-ZANVPECISA-N 2 0 238.400 2.392 10 0 BEAERP Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843882 372641810 /nfs/dbraw/zinc/64/18/10/372641810.db2.gz STYARPQHRUTRHL-OCCSQVGLSA-N 2 0 218.344 2.022 10 0 BEAERP CCC[N@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911718 169138961 /nfs/dbraw/zinc/13/89/61/169138961.db2.gz VEGUSYSBNVIBSL-ZDUSSCGKSA-N 2 0 210.365 2.108 10 0 BEAERP CCC[NH+]1CCC(C[NH2+][C@H](CC)COC)CC1 ZINC000122797436 169186425 /nfs/dbraw/zinc/18/64/25/169186425.db2.gz QXFWJEJWLSAEHG-CQSZACIVSA-N 2 0 242.407 2.123 10 0 BEAERP CCC[NH+]1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000105446429 169187279 /nfs/dbraw/zinc/18/72/79/169187279.db2.gz RONMKZWRFRDGAN-UHFFFAOYSA-N 2 0 236.359 2.491 10 0 BEAERP CCC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038095350 169188868 /nfs/dbraw/zinc/18/88/68/169188868.db2.gz ZXJAOOROMBMYMS-CQSZACIVSA-N 2 0 240.391 2.020 10 0 BEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)COC)CC1 ZINC000037209114 169191276 /nfs/dbraw/zinc/19/12/76/169191276.db2.gz KNVGQVIRODXDAI-STQMWFEESA-N 2 0 242.407 2.121 10 0 BEAERP CCC[N@@H+]1CC[C@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654065 169208205 /nfs/dbraw/zinc/20/82/05/169208205.db2.gz XFKDNNXXXRQXHS-OLZOCXBDSA-N 2 0 212.381 2.449 10 0 BEAERP CCC[NH2+]CC(C)(C)C[N@H+](CC)[C@@H](C)COC ZINC000051250776 169256140 /nfs/dbraw/zinc/25/61/40/169256140.db2.gz QRFJRFRCWSBUND-ZDUSSCGKSA-N 2 0 244.423 2.369 10 0 BEAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507778 169260544 /nfs/dbraw/zinc/26/05/44/169260544.db2.gz XBOKAPDHVGVOTM-KGLIPLIRSA-N 2 0 242.407 2.266 10 0 BEAERP c1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC000085210677 183396638 /nfs/dbraw/zinc/39/66/38/183396638.db2.gz HVEFEAXLXBXQTO-UHFFFAOYSA-N 2 0 216.328 2.015 10 0 BEAERP c1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1 ZINC000082346683 183397034 /nfs/dbraw/zinc/39/70/34/183397034.db2.gz LMEWUDKBHHOSFP-UHFFFAOYSA-N 2 0 230.355 2.262 10 0 BEAERP c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)CC2)cc1 ZINC000082346500 183397196 /nfs/dbraw/zinc/39/71/96/183397196.db2.gz PSTCGXXXBDJQBQ-UHFFFAOYSA-N 2 0 230.355 2.262 10 0 BEAERP CCCO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042425487 169312775 /nfs/dbraw/zinc/31/27/75/169312775.db2.gz BAPMSDCUGAZLJJ-KBPBESRZSA-N 2 0 240.391 2.020 10 0 BEAERP [NH3+]Cc1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000090608574 384060873 /nfs/dbraw/zinc/06/08/73/384060873.db2.gz SFBZZBYOHMABHK-HNNXBMFYSA-N 2 0 226.323 2.236 10 0 BEAERP [NH3+][C@H]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000095077333 384353105 /nfs/dbraw/zinc/35/31/05/384353105.db2.gz AHXUSIGCLDCNNO-GJZGRUSLSA-N 2 0 230.355 2.390 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000335661239 384465238 /nfs/dbraw/zinc/46/52/38/384465238.db2.gz FREXHRJSJGVMME-KPPDAEKUSA-N 2 0 232.318 2.281 10 0 BEAERP Cc1ccc([C@H](C)[NH2+]CCC[NH3+])c(C)c1 ZINC000037713296 384511099 /nfs/dbraw/zinc/51/10/99/384511099.db2.gz GEEUGWAFXUYASQ-LBPRGKRZSA-N 2 0 206.333 2.303 10 0 BEAERP C[C@H](NCCC[NH3+])c1ccc(F)cc1Cl ZINC000037713796 384513278 /nfs/dbraw/zinc/51/32/78/384513278.db2.gz HMPKVEUBOSADFU-QMMMGPOBSA-N 2 0 230.714 2.479 10 0 BEAERP Cc1ccc(C)c([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713306 384513532 /nfs/dbraw/zinc/51/35/32/384513532.db2.gz SRGFUTIANPWYLV-LBPRGKRZSA-N 2 0 206.333 2.303 10 0 BEAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1cccs1 ZINC000011848775 384619581 /nfs/dbraw/zinc/61/95/81/384619581.db2.gz NETCQYJJJOSYFW-CYBMUJFWSA-N 2 0 249.383 2.159 10 0 BEAERP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccccc1 ZINC000107770134 384782768 /nfs/dbraw/zinc/78/27/68/384782768.db2.gz TWRCTYNCDUNSNJ-AWEZNQCLSA-N 2 0 220.360 2.192 10 0 BEAERP Clc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000258818273 384941606 /nfs/dbraw/zinc/94/16/06/384941606.db2.gz FAADCYBMGDZDGV-LLVKDONJSA-N 2 0 224.735 2.039 10 0 BEAERP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1C ZINC000258792743 384944797 /nfs/dbraw/zinc/94/47/97/384944797.db2.gz CFLCIEQABVKRGU-AWEZNQCLSA-N 2 0 218.344 2.003 10 0 BEAERP CSc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000258857392 384947219 /nfs/dbraw/zinc/94/72/19/384947219.db2.gz YEMXYNGRIQFXBV-JTQLQIEISA-N 2 0 224.373 2.235 10 0 BEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000062179810 384983479 /nfs/dbraw/zinc/98/34/79/384983479.db2.gz MDILHHANIRJVPD-LBPRGKRZSA-N 2 0 218.344 2.041 10 0 BEAERP C[NH+](C)CC1CCC([NH2+]Cc2ccco2)CC1 ZINC000119961391 385375100 /nfs/dbraw/zinc/37/51/00/385375100.db2.gz ROXOPEVZJPUZPD-UHFFFAOYSA-N 2 0 236.359 2.490 10 0 BEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000647804252 385840236 /nfs/dbraw/zinc/84/02/36/385840236.db2.gz MRMNKIYOVUGXQB-MEBFFEOJSA-N 2 0 222.376 2.153 10 0 BEAERP CCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000336752309 386015795 /nfs/dbraw/zinc/01/57/95/386015795.db2.gz GDTQARWGNHRFDB-CHWSQXEVSA-N 2 0 212.381 2.497 10 0 BEAERP Fc1cccc(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000128952283 386019732 /nfs/dbraw/zinc/01/97/32/386019732.db2.gz IPEICPMUEFSFAO-AWEZNQCLSA-N 2 0 236.334 2.100 10 0 BEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]12 ZINC000310379385 386181250 /nfs/dbraw/zinc/18/12/50/386181250.db2.gz GOOYSOJBRVWXMT-DDHJBXDOSA-N 2 0 244.329 2.091 10 0 BEAERP [NH3+]C1CCC([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000391460459 386315885 /nfs/dbraw/zinc/31/58/85/386315885.db2.gz MQPABIWDIOFGRO-UHFFFAOYSA-N 2 0 222.376 2.426 10 0 BEAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400444216 533172781 /nfs/dbraw/zinc/17/27/81/533172781.db2.gz NDSIWXBKSSRKIZ-OBJOEFQTSA-N 2 0 248.370 2.344 10 0 BEAERP CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911611 386655473 /nfs/dbraw/zinc/65/54/73/386655473.db2.gz VZAOXMSZOPTONS-CYBMUJFWSA-N 2 0 210.365 2.108 10 0 BEAERP C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000335007127 387100878 /nfs/dbraw/zinc/10/08/78/387100878.db2.gz FKRCJPKDEQGJDH-NWDGAFQWSA-N 2 0 222.376 2.297 10 0 BEAERP COc1cc([C@H]([NH3+])CCCC[NH3+])ccc1Cl ZINC000575438223 387112502 /nfs/dbraw/zinc/11/25/02/387112502.db2.gz FMFWKLSVMIZZSQ-LLVKDONJSA-N 2 0 242.750 2.477 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000575438867 387119201 /nfs/dbraw/zinc/11/92/01/387119201.db2.gz DJSIGKWRXANNOY-LLVKDONJSA-N 2 0 214.259 2.094 10 0 BEAERP Cc1cc([C@H]([NH3+])CCCC[NH3+])cc(C)c1O ZINC000575438940 387121380 /nfs/dbraw/zinc/12/13/80/387121380.db2.gz HGXIZTJKOQXPSO-GFCCVEGCSA-N 2 0 222.332 2.138 10 0 BEAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)cc(F)c1F ZINC000575439891 387125305 /nfs/dbraw/zinc/12/53/05/387125305.db2.gz NTANTNPWJGYNQJ-SNVBAGLBSA-N 2 0 232.249 2.233 10 0 BEAERP CCCCOCCC[NH2+]C1CCC([NH3+])CC1 ZINC000229343042 387172643 /nfs/dbraw/zinc/17/26/43/387172643.db2.gz OFVBOPUALPPSTE-UHFFFAOYSA-N 2 0 228.380 2.053 10 0 BEAERP Cc1ccc(F)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440370 387132902 /nfs/dbraw/zinc/13/29/02/387132902.db2.gz QTVMICNMKVXRFJ-LBPRGKRZSA-N 2 0 210.296 2.263 10 0 BEAERP Cc1cccc(C)c1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440453 387135227 /nfs/dbraw/zinc/13/52/27/387135227.db2.gz VXMRPQREKALSDB-LBPRGKRZSA-N 2 0 206.333 2.432 10 0 BEAERP C[C@@H]([NH2+]CCC1(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000643486549 387344080 /nfs/dbraw/zinc/34/40/80/387344080.db2.gz ZWLSGZKSJXQWEX-NEPJUHHUSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H](C2CC2)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000423520339 387352674 /nfs/dbraw/zinc/35/26/74/387352674.db2.gz JWZCQNUYCGDXFR-KCPJHIHWSA-N 2 0 236.403 2.482 10 0 BEAERP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1OC(F)F ZINC000037713264 387564041 /nfs/dbraw/zinc/56/40/41/387564041.db2.gz RSLZCXGVZNFKRC-SECBINFHSA-N 2 0 244.285 2.287 10 0 BEAERP CCC1CCC([NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000422724513 387633647 /nfs/dbraw/zinc/63/36/47/387633647.db2.gz VWNDXEFKXAORQQ-XSRFYTQQSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978074 387788587 /nfs/dbraw/zinc/78/85/87/387788587.db2.gz GTUZOBMPPPXSQV-KGLIPLIRSA-N 2 0 248.370 2.186 10 0 BEAERP FC1(F)CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423079661 387877077 /nfs/dbraw/zinc/87/70/77/387877077.db2.gz YOPWRCLNDUMCNI-SDDRHHMPSA-N 2 0 244.329 2.294 10 0 BEAERP FC1(CC[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000423125708 387904671 /nfs/dbraw/zinc/90/46/71/387904671.db2.gz OBEVSTZFXMVCAL-LLVKDONJSA-N 2 0 214.328 2.000 10 0 BEAERP Cc1cccnc1CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423149712 387928231 /nfs/dbraw/zinc/92/82/31/387928231.db2.gz HRRCOUFHJDOGJQ-CQSZACIVSA-N 2 0 247.386 2.054 10 0 BEAERP Cc1cccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423167014 387950934 /nfs/dbraw/zinc/95/09/34/387950934.db2.gz RSXGHKPQPWSXEQ-NEPJUHHUSA-N 2 0 218.344 2.254 10 0 BEAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400531766 388007466 /nfs/dbraw/zinc/00/74/66/388007466.db2.gz RZBGEVOOCBVBTQ-POQQGIQPSA-N 2 0 224.392 2.399 10 0 BEAERP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400318382 388112412 /nfs/dbraw/zinc/11/24/12/388112412.db2.gz AJIYBSGSXVMUEG-OUCADQQQSA-N 2 0 248.370 2.344 10 0 BEAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000519815798 256661182 /nfs/dbraw/zinc/66/11/82/256661182.db2.gz BLXHUWNEDHVHMU-QJPTWQEYSA-N 2 0 212.381 2.399 10 0 BEAERP Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000336099542 388456633 /nfs/dbraw/zinc/45/66/33/388456633.db2.gz LIGWOJRSNFICBU-MNOVXSKESA-N 2 0 229.327 2.113 10 0 BEAERP CSC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000517122840 388538902 /nfs/dbraw/zinc/53/89/02/388538902.db2.gz LBRFARMCBXBXEM-NEPJUHHUSA-N 2 0 242.432 2.250 10 0 BEAERP Cc1cc(N[C@H](C[NH3+])CC(C)C)cc[nH+]1 ZINC000229575308 388795170 /nfs/dbraw/zinc/79/51/70/388795170.db2.gz HNFLIQVHMRBMOI-LBPRGKRZSA-N 2 0 207.321 2.175 10 0 BEAERP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000565592868 388955126 /nfs/dbraw/zinc/95/51/26/388955126.db2.gz SJCJDDACLMRFNI-KBPBESRZSA-N 2 0 247.386 2.176 10 0 BEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400697979 533364493 /nfs/dbraw/zinc/36/44/93/533364493.db2.gz JMJYFPGMEWBMPI-YPMHNXCESA-N 2 0 208.349 2.074 10 0 BEAERP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400391659 533368553 /nfs/dbraw/zinc/36/85/53/533368553.db2.gz IZXPQYUUTYCJHF-DGCLKSJQSA-N 2 0 210.365 2.154 10 0 BEAERP CC[C@H](C)[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266282 132330957 /nfs/dbraw/zinc/33/09/57/132330957.db2.gz LWRIRYTYTNUYQO-ZDUSSCGKSA-N 2 0 247.386 2.066 10 0 BEAERP c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000063201273 132389265 /nfs/dbraw/zinc/38/92/65/132389265.db2.gz FENSUKNVABSAKQ-CQSZACIVSA-N 2 0 231.343 2.050 10 0 BEAERP CC1(C)C[N@H+](CC2CCCC2)CC[C@@H]1[NH3+] ZINC000258760620 135133850 /nfs/dbraw/zinc/13/38/50/135133850.db2.gz KQVWBBOWYKZFFG-LBPRGKRZSA-N 2 0 210.365 2.236 10 0 BEAERP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)C(C)C ZINC000261550801 135190291 /nfs/dbraw/zinc/19/02/91/135190291.db2.gz PRXVBVOADQYXIK-QWHCGFSZSA-N 2 0 212.381 2.352 10 0 BEAERP C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CC[NH2+]C1 ZINC000335029178 135407112 /nfs/dbraw/zinc/40/71/12/135407112.db2.gz ZCPVQSWZPNWEFR-ZJUUUORDSA-N 2 0 232.318 2.152 10 0 BEAERP C[NH+](C)[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000110535029 397902869 /nfs/dbraw/zinc/90/28/69/397902869.db2.gz YFQFWQSIDNGHON-GFCCVEGCSA-N 2 0 241.338 2.375 10 0 BEAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CCOCC1(C)C ZINC000052546158 167102942 /nfs/dbraw/zinc/10/29/42/167102942.db2.gz BISSCBIWGASXJY-CYBMUJFWSA-N 2 0 242.407 2.264 10 0 BEAERP Cc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1C ZINC000258654237 322875500 /nfs/dbraw/zinc/87/55/00/322875500.db2.gz AWIZQUJPLQALSU-LBPRGKRZSA-N 2 0 206.333 2.130 10 0 BEAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000258810113 322876308 /nfs/dbraw/zinc/87/63/08/322876308.db2.gz KRBAEASFZGVRLD-UHFFFAOYSA-N 2 0 210.296 2.043 10 0 BEAERP COc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1Cl ZINC000258721233 322876815 /nfs/dbraw/zinc/87/68/15/322876815.db2.gz IYWXUOZQEXDQRY-SECBINFHSA-N 2 0 242.750 2.176 10 0 BEAERP Cc1cc(C)c(C[NH2+]CC[C@H](C)[NH3+])c(C)c1 ZINC000258849381 322878797 /nfs/dbraw/zinc/87/87/97/322878797.db2.gz XEIVVVHXKVYWDN-ZDUSSCGKSA-N 2 0 220.360 2.439 10 0 BEAERP Cc1cc(C[NH2+]C(C)(C)CC[NH3+])ccc1F ZINC000258916374 322879674 /nfs/dbraw/zinc/87/96/74/322879674.db2.gz UCPCBVBZACWNOK-UHFFFAOYSA-N 2 0 224.323 2.351 10 0 BEAERP c1coc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000214171191 487602478 /nfs/dbraw/zinc/60/24/78/487602478.db2.gz GHHUAUIKMRPVSC-CYBMUJFWSA-N 2 0 248.370 2.459 10 0 BEAERP C[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000309270009 410690970 /nfs/dbraw/zinc/69/09/70/410690970.db2.gz CYIAPCIJSFJGBQ-MROQNXINSA-N 2 0 224.392 2.338 10 0 BEAERP CC(C)C[N@H+](C)CCC[NH2+]C1CCCC1 ZINC000053499079 410739007 /nfs/dbraw/zinc/73/90/07/410739007.db2.gz LMUVESWPOPDUEX-UHFFFAOYSA-N 2 0 212.381 2.497 10 0 BEAERP CC(C)C[NH2+]CC[C@H](C)N1CCOC(C)(C)C1 ZINC000052481942 167004927 /nfs/dbraw/zinc/00/49/27/167004927.db2.gz FCGNWGANKISTBC-ZDUSSCGKSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)C[NH2+]Cc1ccoc1C[NH+](C)C ZINC000052422678 167010004 /nfs/dbraw/zinc/01/00/04/167010004.db2.gz OOVKXKKCLQADCC-UHFFFAOYSA-N 2 0 210.321 2.087 10 0 BEAERP CC(C)[NH2+]CCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380739 167101385 /nfs/dbraw/zinc/10/13/85/167101385.db2.gz XICPORMWPNJHJG-ZIAGYGMSSA-N 2 0 242.407 2.264 10 0 BEAERP CC(C)[NH2+]CC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000104196197 167109201 /nfs/dbraw/zinc/10/92/01/167109201.db2.gz VQTFXKQFFBRDFO-ZDUSSCGKSA-N 2 0 242.407 2.121 10 0 BEAERP CC(C)[NH2+]CC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000052424006 167109862 /nfs/dbraw/zinc/10/98/62/167109862.db2.gz BUWDHQLHFDWOLG-CQSZACIVSA-N 2 0 249.402 2.333 10 0 BEAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)CCc1ccncc1 ZINC000052483061 167113775 /nfs/dbraw/zinc/11/37/75/167113775.db2.gz TZULRIMLFLVEKA-AWEZNQCLSA-N 2 0 249.402 2.190 10 0 BEAERP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713328 167299431 /nfs/dbraw/zinc/29/94/31/167299431.db2.gz XVAMSQNQPXWYHR-GFCCVEGCSA-N 2 0 236.359 2.473 10 0 BEAERP CC(C)[C@@H](C[NH3+])N(C)Cc1ccccc1 ZINC000019264878 167396869 /nfs/dbraw/zinc/39/68/69/167396869.db2.gz CRYOSWKNZFTJKV-CYBMUJFWSA-N 2 0 206.333 2.102 10 0 BEAERP Cc1[nH+]ccc(N(C)CC(C)(C)[NH3+])c1Cl ZINC000656608738 411307672 /nfs/dbraw/zinc/30/76/72/411307672.db2.gz LLRIGSBMHKZDRK-UHFFFAOYSA-N 2 0 227.739 2.217 10 0 BEAERP CC1=CC[N@H+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000075423272 168111489 /nfs/dbraw/zinc/11/14/89/168111489.db2.gz VYKULKSOIVGCJA-ZDUSSCGKSA-N 2 0 208.349 2.171 10 0 BEAERP CC1CCC([N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000049709754 168159015 /nfs/dbraw/zinc/15/90/15/168159015.db2.gz SUIGBUCAFLGZNL-CMOBGSAGSA-N 2 0 210.365 2.377 10 0 BEAERP CC1CCC([N@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911688 168160171 /nfs/dbraw/zinc/16/01/71/168160171.db2.gz PYDGKXIXTIBCPE-RUXDESIVSA-N 2 0 224.392 2.497 10 0 BEAERP CC1CC[NH+](CC2(C[NH3+])CCCC2)CC1 ZINC000049814814 168179267 /nfs/dbraw/zinc/17/92/67/168179267.db2.gz LTSUPXJBKGZFRC-UHFFFAOYSA-N 2 0 210.365 2.237 10 0 BEAERP CC1CC[NH+](CCOc2cccc(C[NH3+])c2)CC1 ZINC000037049726 168181331 /nfs/dbraw/zinc/18/13/31/168181331.db2.gz GMEUOSMLBJICAU-UHFFFAOYSA-N 2 0 248.370 2.256 10 0 BEAERP CC1CC[NH+](Cc2ccccc2C(N)=[NH2+])CC1 ZINC000019512912 168184264 /nfs/dbraw/zinc/18/42/64/168184264.db2.gz GTBMZURDMTVBEH-UHFFFAOYSA-N 2 0 231.343 2.203 10 0 BEAERP CC1CC[NH+]([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037156824 168186212 /nfs/dbraw/zinc/18/62/12/168186212.db2.gz IYJQXUBLPSMLQW-CHWSQXEVSA-N 2 0 210.365 2.236 10 0 BEAERP CCC(C)(C)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665002 168287883 /nfs/dbraw/zinc/28/78/83/168287883.db2.gz SRKGHOKKZMUNGC-TXEJJXNPSA-N 2 0 212.381 2.352 10 0 BEAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC)C2)CCO1 ZINC000070359362 411412092 /nfs/dbraw/zinc/41/20/92/411412092.db2.gz AEHOYXHSPUEKAT-MGPQQGTHSA-N 2 0 240.391 2.018 10 0 BEAERP CC[NH2+]CC1(C[N@H+](CC)CCOC)CCCC1 ZINC000051254647 170110610 /nfs/dbraw/zinc/11/06/10/170110610.db2.gz SDHAQGQSXGQFTC-UHFFFAOYSA-N 2 0 242.407 2.125 10 0 BEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478621 170120498 /nfs/dbraw/zinc/12/04/98/170120498.db2.gz DSVNNSLIOALTQQ-IHRRRGAJSA-N 2 0 242.407 2.120 10 0 BEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478619 170120776 /nfs/dbraw/zinc/12/07/76/170120776.db2.gz DSVNNSLIOALTQQ-MELADBBJSA-N 2 0 242.407 2.120 10 0 BEAERP CC[NH2+]C[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC000053653989 170122788 /nfs/dbraw/zinc/12/27/88/170122788.db2.gz ADSFUIOPBRBKFB-CYBMUJFWSA-N 2 0 212.381 2.354 10 0 BEAERP CC[NH2+]Cc1cc(C[N@H+](CC)[C@@H](C)CC)on1 ZINC000052451143 170125194 /nfs/dbraw/zinc/12/51/94/170125194.db2.gz VNDZUUIONXQBDA-NSHDSACASA-N 2 0 239.363 2.405 10 0 BEAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000053860877 170150625 /nfs/dbraw/zinc/15/06/25/170150625.db2.gz HORDZPUCDIFSBL-ZIAGYGMSSA-N 2 0 224.392 2.497 10 0 BEAERP CC[NH2+][C@H]1CCC[C@H]1C[N@H+](CC)CCOCC ZINC000104190895 170166495 /nfs/dbraw/zinc/16/64/95/170166495.db2.gz KWPLJDWRAPAYKO-KBPBESRZSA-N 2 0 242.407 2.123 10 0 BEAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](CC)[C@@H](C)COC ZINC000053871458 170166601 /nfs/dbraw/zinc/16/66/01/170166601.db2.gz GZCNVJYWNPIWAY-MJBXVCDLSA-N 2 0 242.407 2.121 10 0 BEAERP CC[NH2+][C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000037242438 170166977 /nfs/dbraw/zinc/16/69/77/170166977.db2.gz ARTKKILDPRMGOC-LBPRGKRZSA-N 2 0 210.365 2.393 10 0 BEAERP CCOCCC[N@H+]1CC[C@@H](CC)[NH2+][C@@H](C)CC1 ZINC000049665157 170375485 /nfs/dbraw/zinc/37/54/85/170375485.db2.gz PKRLXDJHKBOGDA-UONOGXRCSA-N 2 0 242.407 2.266 10 0 BEAERP CC[C@H](C)[N@H+](CCOC)CC1CCC([NH3+])CC1 ZINC000042593337 171315821 /nfs/dbraw/zinc/31/58/21/171315821.db2.gz GOXGNKIEDUMMNP-HSBZDZAISA-N 2 0 242.407 2.251 10 0 BEAERP C[C@H]1CC(C[NH2+]C2CC[NH2+]CC2)C[C@H](C)C1 ZINC000665239327 412176008 /nfs/dbraw/zinc/17/60/08/412176008.db2.gz QYMFOUPPPNBMEE-VXGBXAGGSA-N 2 0 224.392 2.400 10 0 BEAERP CC[C@H](C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000665238113 412179006 /nfs/dbraw/zinc/17/90/06/412179006.db2.gz QXNHFVDSIFILJJ-XQQFMLRXSA-N 2 0 212.381 2.400 10 0 BEAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000665245893 412190895 /nfs/dbraw/zinc/19/08/95/412190895.db2.gz UEFORTDRSJBBSU-HIFRSBDPSA-N 2 0 232.371 2.391 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000665263963 412207528 /nfs/dbraw/zinc/20/75/28/412207528.db2.gz YZMSSQDOBKJTSF-HRDMENRUSA-N 2 0 222.376 2.282 10 0 BEAERP CCn1cccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000229938552 172207840 /nfs/dbraw/zinc/20/78/40/172207840.db2.gz SROCNIGDVOVORT-UHFFFAOYSA-N 2 0 249.402 2.330 10 0 BEAERP CCn1cc[nH+]c1NC[C@H](C)[NH+]1CCCCC1 ZINC000050614095 172228461 /nfs/dbraw/zinc/22/84/61/172228461.db2.gz WJANLQIGXWTRFL-LBPRGKRZSA-N 2 0 236.363 2.189 10 0 BEAERP C[N@@H+]1CCC[C@@H]1CCOCc1cccc(C[NH3+])c1 ZINC000052673270 173028152 /nfs/dbraw/zinc/02/81/52/173028152.db2.gz IGYKWDOPPIIVSA-OAHLLOKOSA-N 2 0 248.370 2.146 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037484574 173114092 /nfs/dbraw/zinc/11/40/92/173114092.db2.gz IKVBNPRFNJYJAO-LBPRGKRZSA-N 2 0 238.762 2.381 10 0 BEAERP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000037646659 173114851 /nfs/dbraw/zinc/11/48/51/173114851.db2.gz LNOFJRSUBGOHEP-JEYLPNPQSA-N 2 0 244.382 2.474 10 0 BEAERP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000042548007 173125101 /nfs/dbraw/zinc/12/51/01/173125101.db2.gz ZVUWXNNABIDIHA-LLVKDONJSA-N 2 0 227.311 2.351 10 0 BEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037645876 173146367 /nfs/dbraw/zinc/14/63/67/173146367.db2.gz IEDLBGXIBBUQCM-LLVKDONJSA-N 2 0 240.297 2.006 10 0 BEAERP C[NH2+]C(C)(C)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061319616 173318966 /nfs/dbraw/zinc/31/89/66/173318966.db2.gz CAPGJTFJYQCBSH-CHWSQXEVSA-N 2 0 224.392 2.497 10 0 BEAERP C[NH2+]CC1(C[NH+]2CCSCC2)CCCCC1 ZINC000051214327 173337506 /nfs/dbraw/zinc/33/75/06/173337506.db2.gz SGAFKJCQZDSIKY-UHFFFAOYSA-N 2 0 242.432 2.205 10 0 BEAERP C[NH2+]CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083008631 173358981 /nfs/dbraw/zinc/35/89/81/173358981.db2.gz POVGHOFEDXLJDF-AWEZNQCLSA-N 2 0 218.344 2.118 10 0 BEAERP C[NH2+]CC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000077364770 173359207 /nfs/dbraw/zinc/35/92/07/173359207.db2.gz MCYUXXIWWZIUPQ-HNNXBMFYSA-N 2 0 232.371 2.161 10 0 BEAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C2CCCC2)C1 ZINC000054082008 173379223 /nfs/dbraw/zinc/37/92/23/173379223.db2.gz SPWYLWMRRJQOBD-QWHCGFSZSA-N 2 0 224.392 2.497 10 0 BEAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376108 173387312 /nfs/dbraw/zinc/38/73/12/173387312.db2.gz WIWVOQVIFVKACA-JTQLQIEISA-N 2 0 222.332 2.292 10 0 BEAERP C[NH2+]Cc1ccccc1OCCC[NH+]1CCCC1 ZINC000049331798 173390414 /nfs/dbraw/zinc/39/04/14/173390414.db2.gz YVNBZUHEFQKOQF-UHFFFAOYSA-N 2 0 248.370 2.271 10 0 BEAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@H]1C ZINC000052378638 173391740 /nfs/dbraw/zinc/39/17/40/173391740.db2.gz WAWSXHAWCWMEEB-LLVKDONJSA-N 2 0 222.332 2.373 10 0 BEAERP C[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053862031 173434802 /nfs/dbraw/zinc/43/48/02/173434802.db2.gz WLBGSDFVXSPKCI-CHWSQXEVSA-N 2 0 210.365 2.251 10 0 BEAERP C[NH2+][C@H]1CC[N@H+](CCc2cccs2)[C@H](C)C1 ZINC000049712303 173465439 /nfs/dbraw/zinc/46/54/39/173465439.db2.gz OXCONWNPOFMHIS-NEPJUHHUSA-N 2 0 238.400 2.363 10 0 BEAERP COC1CC[NH+](CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000037266495 174028837 /nfs/dbraw/zinc/02/88/37/174028837.db2.gz GLCVAGRUCIEGSK-OAHLLOKOSA-N 2 0 248.370 2.187 10 0 BEAERP COC1CC[NH+](CCCCC[NH2+]C2CC2)CC1 ZINC000052455375 174029182 /nfs/dbraw/zinc/02/91/82/174029182.db2.gz GZTTYCIKDRMHBN-UHFFFAOYSA-N 2 0 240.391 2.020 10 0 BEAERP COCC[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042517604 174285140 /nfs/dbraw/zinc/28/51/40/174285140.db2.gz FPNIPWUXCYLYBP-TZMCWYRMSA-N 2 0 240.391 2.005 10 0 BEAERP COCC[N@H+](CC(C)C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000042368729 174286938 /nfs/dbraw/zinc/28/69/38/174286938.db2.gz VUTXUBNYPNFXCQ-MGPQQGTHSA-N 2 0 242.407 2.107 10 0 BEAERP COCC[N@H+](CC(C)C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053858760 174286977 /nfs/dbraw/zinc/28/69/77/174286977.db2.gz MZGOMVLQUXGDMB-KBPBESRZSA-N 2 0 242.407 2.108 10 0 BEAERP COCC[N@H+](CC(C)C)CC1([NH3+])CCCCC1 ZINC000042370854 174287241 /nfs/dbraw/zinc/28/72/41/174287241.db2.gz LRWXVBWMEBANLS-UHFFFAOYSA-N 2 0 242.407 2.252 10 0 BEAERP COCC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)C1CC1 ZINC000042689392 174298296 /nfs/dbraw/zinc/29/82/96/174298296.db2.gz CDBXANRFZGCQCD-GXTWGEPZSA-N 2 0 242.407 2.107 10 0 BEAERP COCC[NH2+]CCCC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000053499323 174332847 /nfs/dbraw/zinc/33/28/47/174332847.db2.gz LDLLLYMYGNLEHQ-UONOGXRCSA-N 2 0 242.407 2.123 10 0 BEAERP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC000042427412 175261897 /nfs/dbraw/zinc/26/18/97/175261897.db2.gz ZMPJNYHXFVCQHX-OCCSQVGLSA-N 2 0 248.370 2.254 10 0 BEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131455936 175292505 /nfs/dbraw/zinc/29/25/05/175292505.db2.gz MHULZIDFKNLKME-RWMBFGLXSA-N 2 0 248.370 2.425 10 0 BEAERP COc1ccccc1C[N@H+](C)[C@@H](C)CCC[NH3+] ZINC000052542273 175325405 /nfs/dbraw/zinc/32/54/05/175325405.db2.gz QOCKSKHHRDOPCU-LBPRGKRZSA-N 2 0 236.359 2.254 10 0 BEAERP C[C@@H](c1ccc(N)cc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071187844 176015264 /nfs/dbraw/zinc/01/52/64/176015264.db2.gz CVCYWZXLXHMQST-QWHCGFSZSA-N 2 0 247.386 2.213 10 0 BEAERP C[C@@H](c1cccs1)[N@H+](C)C1CC[NH2+]CC1 ZINC000043501208 176032481 /nfs/dbraw/zinc/03/24/81/176032481.db2.gz MXGGFLPDFFIGDR-JTQLQIEISA-N 2 0 224.373 2.493 10 0 BEAERP C[C@@H](c1ccco1)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000044390341 176033396 /nfs/dbraw/zinc/03/33/96/176033396.db2.gz DSSPEHQGLUFOIK-NEPJUHHUSA-N 2 0 222.332 2.272 10 0 BEAERP C[C@@H](c1cccs1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511629 176033852 /nfs/dbraw/zinc/03/38/52/176033852.db2.gz FCNLHUVQLBZFDF-JTQLQIEISA-N 2 0 224.373 2.480 10 0 BEAERP C[C@@H](c1ccsc1)[NH+]1CCC(C[NH3+])CC1 ZINC000050345200 176035462 /nfs/dbraw/zinc/03/54/62/176035462.db2.gz QJGFAFSQTGWGLL-JTQLQIEISA-N 2 0 224.373 2.480 10 0 BEAERP C[C@@H](c1ccncc1)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049666713 176036015 /nfs/dbraw/zinc/03/60/15/176036015.db2.gz SDDNYLIZGCKNPZ-MCIONIFRSA-N 2 0 247.386 2.320 10 0 BEAERP C[C@@H]1CCCC[N@@H+]1Cc1occc1C[NH3+] ZINC000052378734 176074207 /nfs/dbraw/zinc/07/42/07/176074207.db2.gz MFIZNEJPRAFIIP-SNVBAGLBSA-N 2 0 208.305 2.113 10 0 BEAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CCCC2)C1 ZINC000049814818 176096124 /nfs/dbraw/zinc/09/61/24/176096124.db2.gz LOEKWAYYIMJADW-GFCCVEGCSA-N 2 0 210.365 2.237 10 0 BEAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])co2)[C@@H]1C ZINC000052373392 176099690 /nfs/dbraw/zinc/09/96/90/176099690.db2.gz MNVKJJMTJIJLCW-GHMZBOCLSA-N 2 0 222.332 2.359 10 0 BEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2ccncc2)C1 ZINC000036775988 176209230 /nfs/dbraw/zinc/20/92/30/176209230.db2.gz FINJLFZPDXWFPH-MRVWCRGKSA-N 2 0 233.359 2.029 10 0 BEAERP C[C@@H]1C[N@@H+](C2CCCCCC2)CC[C@@H]1[NH3+] ZINC000049710501 176282919 /nfs/dbraw/zinc/28/29/19/176282919.db2.gz ITVZDERBBYHQQN-YPMHNXCESA-N 2 0 210.365 2.378 10 0 BEAERP C[C@@H]1C[NH+](CCCCCCC[NH3+])C[C@@H](C)O1 ZINC000020071872 176287424 /nfs/dbraw/zinc/28/74/24/176287424.db2.gz GOROZGHHSNVMQW-CHWSQXEVSA-N 2 0 228.380 2.005 10 0 BEAERP C[C@@H]1C[N@H+](CCCC[NH2+]C(C)(C)C)CCCO1 ZINC000061935693 176288125 /nfs/dbraw/zinc/28/81/25/176288125.db2.gz BTKFYQNCBKZETO-CYBMUJFWSA-N 2 0 242.407 2.266 10 0 BEAERP C[C@@H]1C[N@H+](CCc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708292 176293741 /nfs/dbraw/zinc/29/37/41/176293741.db2.gz FBMJLPXAUYOKQV-RISCZKNCSA-N 2 0 236.334 2.037 10 0 BEAERP C[C@@H]1C[N@@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000035782905 176315078 /nfs/dbraw/zinc/31/50/78/176315078.db2.gz VVVZGZHVDRBCPR-AAVRWANBSA-N 2 0 240.391 2.003 10 0 BEAERP C[C@@H]([NH2+]CC[C@H](C)C[NH3+])c1ccccc1 ZINC000049813523 176657666 /nfs/dbraw/zinc/65/76/66/176657666.db2.gz QCLFMJVRCQOMGL-NWDGAFQWSA-N 2 0 206.333 2.322 10 0 BEAERP C[C@H](C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000062079011 176683444 /nfs/dbraw/zinc/68/34/44/176683444.db2.gz JRWFQDPMHWKQJJ-CHWSQXEVSA-N 2 0 242.432 2.204 10 0 BEAERP C[C@H](c1ccc(N)cc1)[N@H+](C)CCC[NH+](C)C ZINC000104196892 177034539 /nfs/dbraw/zinc/03/45/39/177034539.db2.gz SMHMOZBSNTVCIB-GFCCVEGCSA-N 2 0 235.375 2.213 10 0 BEAERP C[C@H](c1ccc[nH]1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000095068241 177035895 /nfs/dbraw/zinc/03/58/95/177035895.db2.gz GXOLAQTTYSWKQZ-LLVKDONJSA-N 2 0 221.348 2.007 10 0 BEAERP C[C@H](c1ccccc1)[N@H+](C)CCCC[NH3+] ZINC000049813584 177037728 /nfs/dbraw/zinc/03/77/28/177037728.db2.gz XFWUPIBDJSXDJL-GFCCVEGCSA-N 2 0 206.333 2.418 10 0 BEAERP C[C@H]1CCC[N@@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000037910086 177109318 /nfs/dbraw/zinc/10/93/18/177109318.db2.gz VGYIBIWODOFPLB-ZDUSSCGKSA-N 2 0 248.370 2.399 10 0 BEAERP C[C@H]1[C@H]([NH+]2CCC([NH3+])CC2)CCC[C@@H]1C ZINC000019479427 177121657 /nfs/dbraw/zinc/12/16/57/177121657.db2.gz RWWYMGPURNNWNQ-DMDPSCGWSA-N 2 0 210.365 2.234 10 0 BEAERP C[C@H]1CCC[C@H]([NH+]2CCC[NH2+]CCC2)C1 ZINC000049665920 177135131 /nfs/dbraw/zinc/13/51/31/177135131.db2.gz YLBNJPUCWCPLDD-STQMWFEESA-N 2 0 210.365 2.251 10 0 BEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000042427281 177200707 /nfs/dbraw/zinc/20/07/07/177200707.db2.gz MGADHQSYXNFFFM-NWDGAFQWSA-N 2 0 236.334 2.385 10 0 BEAERP C[C@H]1C[N@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062615837 177249538 /nfs/dbraw/zinc/24/95/38/177249538.db2.gz HHPZMYYSXMIEDX-AWEZNQCLSA-N 2 0 232.371 2.303 10 0 BEAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000049664210 177286102 /nfs/dbraw/zinc/28/61/02/177286102.db2.gz CPQBZFAVDHALIR-OKILXGFUSA-N 2 0 232.371 2.364 10 0 BEAERP C[C@H]1C[C@H]([NH2+]CCc2ccsc2)CC[N@@H+]1C ZINC000122953916 177370458 /nfs/dbraw/zinc/37/04/58/177370458.db2.gz TYJWKBLICMHHOE-WCQYABFASA-N 2 0 238.400 2.363 10 0 BEAERP C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400458637 226344163 /nfs/dbraw/zinc/34/41/63/226344163.db2.gz QUYPIKPMWDZLCJ-SRVKXCTJSA-N 2 0 210.365 2.153 10 0 BEAERP C[C@H]([NH2+]CC1(C)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400484447 226344569 /nfs/dbraw/zinc/34/45/69/226344569.db2.gz WYCJLVBMVIPEEC-RYUDHWBXSA-N 2 0 210.365 2.154 10 0 BEAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000398335596 262731832 /nfs/dbraw/zinc/73/18/32/262731832.db2.gz KGZSPMPTPVGQLC-AGIUHOORSA-N 2 0 210.365 2.012 10 0 BEAERP C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400534675 229239961 /nfs/dbraw/zinc/23/99/61/229239961.db2.gz SRBGQRMVXPZWER-AAVRWANBSA-N 2 0 224.392 2.400 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251121969 487748606 /nfs/dbraw/zinc/74/86/06/487748606.db2.gz RHCJYCKPJRMLCA-DYEKYZERSA-N 2 0 236.359 2.318 10 0 BEAERP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089147855 487763296 /nfs/dbraw/zinc/76/32/96/487763296.db2.gz RHCJYCKPJRMLCA-BZPMIXESSA-N 2 0 236.359 2.318 10 0 BEAERP CC(C)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198132 487766121 /nfs/dbraw/zinc/76/61/21/487766121.db2.gz YSXINIWAHIXMBD-OCCSQVGLSA-N 2 0 224.392 2.495 10 0 BEAERP C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000667023768 487931788 /nfs/dbraw/zinc/93/17/88/487931788.db2.gz ZRRIZFOWFGTILT-NEPJUHHUSA-N 2 0 210.365 2.154 10 0 BEAERP Cc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1 ZINC000258988959 322880785 /nfs/dbraw/zinc/88/07/85/322880785.db2.gz PDPJHGOBRGHPAO-UHFFFAOYSA-N 2 0 206.333 2.212 10 0 BEAERP CSCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570441973 323059442 /nfs/dbraw/zinc/05/94/42/323059442.db2.gz IISIJEAWNHEBBA-QWHCGFSZSA-N 2 0 244.448 2.497 10 0 BEAERP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000563796848 323178021 /nfs/dbraw/zinc/17/80/21/323178021.db2.gz OJHGGUUMYRUYDM-YPMHNXCESA-N 2 0 210.365 2.154 10 0 BEAERP CC1(C)CC(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000530220269 323217983 /nfs/dbraw/zinc/21/79/83/323217983.db2.gz TZBWJFCBNDHOCP-YNEHKIRRSA-N 2 0 222.376 2.092 10 0 BEAERP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400341629 324166915 /nfs/dbraw/zinc/16/69/15/324166915.db2.gz HPNLABYFWAXZNR-AVGNSLFASA-N 2 0 248.370 2.344 10 0 BEAERP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000126381804 324695668 /nfs/dbraw/zinc/69/56/68/324695668.db2.gz VPGBREJCQAZBIX-CQSZACIVSA-N 2 0 224.392 2.352 10 0 BEAERP C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000566672541 326072396 /nfs/dbraw/zinc/07/23/96/326072396.db2.gz CXQCNJIMHAXBAS-AVGNSLFASA-N 2 0 242.432 2.107 10 0 BEAERP [NH3+]C1CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000094086118 487512232 /nfs/dbraw/zinc/51/22/32/487512232.db2.gz SMWVHRJXPFINKL-IYXRBSQSSA-N 2 0 230.355 2.186 10 0 BEAERP CC(C)[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168532992 487515874 /nfs/dbraw/zinc/51/58/74/487515874.db2.gz JOBZIPIAQZTREO-GFCCVEGCSA-N 2 0 224.392 2.495 10 0 BEAERP CCC[C@H](C)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757126771 582501617 /nfs/dbraw/zinc/50/16/17/582501617.db2.gz GZWIFCKGUNYTAK-LBPRGKRZSA-N 2 0 210.365 2.393 10 0 BEAERP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400318386 533776674 /nfs/dbraw/zinc/77/66/74/533776674.db2.gz AJIYBSGSXVMUEG-SGMGOOAPSA-N 2 0 248.370 2.344 10 0 BEAERP C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400700992 533917084 /nfs/dbraw/zinc/91/70/84/533917084.db2.gz KEDLEBVNBWYSLE-CMPLNLGQSA-N 2 0 238.762 2.428 10 0 BEAERP CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400349545 527844334 /nfs/dbraw/zinc/84/43/34/527844334.db2.gz JJHOZGUOWSONRM-AVGNSLFASA-N 2 0 212.381 2.399 10 0 BEAERP CC(C)C[NH2+][C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@H]21 ZINC000503713213 528067898 /nfs/dbraw/zinc/06/78/98/528067898.db2.gz VFTINDXPLPKLQE-RRFJBIMHSA-N 2 0 230.355 2.290 10 0 BEAERP CC(C)C[NH2+][C@@H]1c2ccccc2[C@H]2C[NH2+]C[C@@H]21 ZINC000503713207 528067916 /nfs/dbraw/zinc/06/79/16/528067916.db2.gz VFTINDXPLPKLQE-QLFBSQMISA-N 2 0 230.355 2.290 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858018 534948550 /nfs/dbraw/zinc/94/85/50/534948550.db2.gz UQUJSJQFNFSMPR-NWDGAFQWSA-N 2 0 212.381 2.495 10 0 BEAERP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858245 534949887 /nfs/dbraw/zinc/94/98/87/534949887.db2.gz RRNQJHWAOWCJDL-QWHCGFSZSA-N 2 0 212.381 2.352 10 0 BEAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[NH3+] ZINC000225140302 535252940 /nfs/dbraw/zinc/25/29/40/535252940.db2.gz VKULFCBPUSIAEE-AGIUHOORSA-N 2 0 212.381 2.386 10 0 BEAERP CC(C)C[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757124091 582499285 /nfs/dbraw/zinc/49/92/85/582499285.db2.gz BUOKJDINPYODGE-OLZOCXBDSA-N 2 0 210.365 2.249 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757128036 582503227 /nfs/dbraw/zinc/50/32/27/582503227.db2.gz IOIBDOYHUDMPHC-DGCLKSJQSA-N 2 0 208.349 2.003 10 0 BEAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757132385 582506746 /nfs/dbraw/zinc/50/67/46/582506746.db2.gz QYZFLWZPVYOHKN-SWLSCSKDSA-N 2 0 234.387 2.345 10 0 BEAERP C[C@H](C1CC1)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132969 582509209 /nfs/dbraw/zinc/50/92/09/582509209.db2.gz SHXNQGQFOJWUPZ-BZPMIXESSA-N 2 0 222.376 2.391 10 0 BEAERP C[C@H]1CC[C@H](c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000757220305 582562560 /nfs/dbraw/zinc/56/25/60/582562560.db2.gz YKYRMXSEQWHUIR-GWCFXTLKSA-N 2 0 204.317 2.001 10 0 BEAERP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131075 586426434 /nfs/dbraw/zinc/42/64/34/586426434.db2.gz PETFBWQQYSALJD-FDYHWXHSSA-N 2 0 208.349 2.001 10 0 BEAERP C[C@@H]1CCC[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757207173 586438053 /nfs/dbraw/zinc/43/80/53/586438053.db2.gz BCMJAGAVQZWIJQ-ZWNOBZJWSA-N 2 0 204.317 2.348 10 0 BEAERP C[C@@H]1C[C@H](C)C[NH2+][C@H]1c1ccc(C[NH3+])cc1 ZINC000757212755 586439338 /nfs/dbraw/zinc/43/93/38/586439338.db2.gz JSQDQPUOHWQBCD-MISXGVKJSA-N 2 0 218.344 2.452 10 0 BEAERP C[C@@H]1CC[C@@H](c2ccc(C[NH3+])cc2)[NH2+]C1 ZINC000757216738 586441251 /nfs/dbraw/zinc/44/12/51/586441251.db2.gz QOKMVGYXROYDNK-MFKMUULPSA-N 2 0 204.317 2.206 10 0 BEAERP C[C@H]1CC[C@@H](c2ccc(C[NH3+])cc2)[NH2+]C1 ZINC000757216716 586441334 /nfs/dbraw/zinc/44/13/34/586441334.db2.gz QOKMVGYXROYDNK-GWCFXTLKSA-N 2 0 204.317 2.206 10 0 BEAERP [NH3+]CC[C@H]1CC[C@H](c2cccs2)[NH2+]C1 ZINC000757216808 586441377 /nfs/dbraw/zinc/44/13/77/586441377.db2.gz QDGWVVXDSUOGIU-NXEZZACHSA-N 2 0 210.346 2.138 10 0 BEAERP C[C@@H]1CCC[NH2+][C@@H]1c1cccc(C[NH3+])c1 ZINC000757217748 586441642 /nfs/dbraw/zinc/44/16/42/586441642.db2.gz SDYNUDAYVFKHHV-MFKMUULPSA-N 2 0 204.317 2.206 10 0 BEAERP CC(=O)c1ccc([C@@H]2CC[C@H](CC[NH3+])C[NH2+]2)cc1 ZINC000757219678 586442197 /nfs/dbraw/zinc/44/21/97/586442197.db2.gz ZBOXRWIXTJRMEY-DOMZBBRYSA-N 2 0 246.354 2.279 10 0 BEAERP C[C@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)C1 ZINC000757220865 586442565 /nfs/dbraw/zinc/44/25/65/586442565.db2.gz ZTGDPDUYTUYCTF-GWCFXTLKSA-N 2 0 204.317 2.206 10 0 BEAERP [NH3+][C@@H]1CC[NH2+]C[C@@H]1c1cscc1C(F)F ZINC000757234727 586443314 /nfs/dbraw/zinc/44/33/14/586443314.db2.gz LUIPONUDDQMSTF-HZGVNTEJSA-N 2 0 232.299 2.090 10 0 BEAERP C[C@@H]1C[C@H](C)[NH2+][C@H]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000757238445 586444189 /nfs/dbraw/zinc/44/41/89/586444189.db2.gz RZXRYPZVSKLRMU-BNDIWNMDSA-N 2 0 210.365 2.151 10 0 BEAERP COc1ccc(Cl)cc1C[NH2+]CC[C@@H](C)[NH3+] ZINC000258748690 635195904 /nfs/dbraw/zinc/19/59/04/635195904.db2.gz LWGLBUHFSGTJJG-SECBINFHSA-N 2 0 242.750 2.176 10 0 BEAERP Cc1ccc(CC[NH2+]CCC[NH+](C)C)cc1C ZINC000124212921 632091424 /nfs/dbraw/zinc/09/14/24/632091424.db2.gz XGIKXGMRKYLKIR-UHFFFAOYSA-N 2 0 234.387 2.387 10 0 BEAERP CS[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000235266767 632600128 /nfs/dbraw/zinc/60/01/28/632600128.db2.gz XRXDMAWNMVJLSG-HCWSGVFWSA-N 2 0 228.405 2.130 10 0 BEAERP C[C@H](C[NH2+]CCc1ccccc1)C[NH+](C)C ZINC000309727252 632661893 /nfs/dbraw/zinc/66/18/93/632661893.db2.gz DKDFMODONAWRQF-CYBMUJFWSA-N 2 0 220.360 2.016 10 0 BEAERP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)C ZINC000328572141 633779148 /nfs/dbraw/zinc/77/91/48/633779148.db2.gz UFFRBOJIUIGXHE-XNBXPENISA-N 2 0 222.376 2.007 10 0 BEAERP Cc1ccc(C)c([C@@H](C)N(C)CC[NH3+])c1 ZINC000054416854 636636632 /nfs/dbraw/zinc/63/66/32/636636632.db2.gz KPBZCWGMYLYODA-GFCCVEGCSA-N 2 0 206.333 2.255 10 0 BEAERP CCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000042447289 637255426 /nfs/dbraw/zinc/25/54/26/637255426.db2.gz JZHVBBUDTNLXMZ-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP CCC[N@H+](CCC[NH2+]C1CC1)CC1CC1 ZINC000042491035 637273335 /nfs/dbraw/zinc/27/33/35/637273335.db2.gz XYZZPUFKWKVAGX-UHFFFAOYSA-N 2 0 210.365 2.251 10 0 BEAERP CCCC[N@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000042491060 637273681 /nfs/dbraw/zinc/27/36/81/637273681.db2.gz UXCADDUTBRHZCZ-UHFFFAOYSA-N 2 0 210.365 2.393 10 0 BEAERP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000129517834 640365492 /nfs/dbraw/zinc/36/54/92/640365492.db2.gz ZVWIMSQZWYMURX-WOPDTQHZSA-N 2 0 210.365 2.282 10 0 BEAERP CC(C)[N@H+](CCC[NH2+]C1CC1)CC1CC1 ZINC000042590338 641556139 /nfs/dbraw/zinc/55/61/39/641556139.db2.gz CCHLBNVOTDLKNU-UHFFFAOYSA-N 2 0 210.365 2.249 10 0 BEAERP Cc1scc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1C ZINC000400395406 642514325 /nfs/dbraw/zinc/51/43/25/642514325.db2.gz JIABDMDIABWVLA-CMPLNLGQSA-N 2 0 238.400 2.453 10 0 BEAERP Cc1scc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1C ZINC000400395416 642514822 /nfs/dbraw/zinc/51/48/22/642514822.db2.gz JIABDMDIABWVLA-PWSUYJOCSA-N 2 0 238.400 2.453 10 0 BEAERP CCC[C@@H]1C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000233305927 642657519 /nfs/dbraw/zinc/65/75/19/642657519.db2.gz PYUTVAQMSOHJDY-CHWSQXEVSA-N 2 0 210.365 2.106 10 0 BEAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cccc(F)c1 ZINC000049711359 643220897 /nfs/dbraw/zinc/22/08/97/643220897.db2.gz XGKLTGZLTJZDDX-BXUZGUMPSA-N 2 0 236.334 2.180 10 0 BEAERP CSC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000711035255 712275646 /nfs/dbraw/zinc/27/56/46/712275646.db2.gz WRVQDIQBLGAIBK-WDEREUQCSA-N 2 0 230.421 2.106 10 0 BEAERP CS[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000711053682 712277410 /nfs/dbraw/zinc/27/74/10/712277410.db2.gz WHARJRUXWAUHHY-MROQNXINSA-N 2 0 242.432 2.248 10 0 BEAERP C=C/C=C/CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000713735611 712470274 /nfs/dbraw/zinc/47/02/74/712470274.db2.gz PVWRQKWSDKOBDA-MUBLQREKSA-N 2 0 208.349 2.193 10 0 BEAERP