smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000019509443 342950564 /nfs/dbraw/zinc/95/05/64/342950564.db2.gz XOPNLLWZWMVFOT-UHFFFAOYSA-N 2 0 211.353 0.624 50 0 BCAARP C[N@H+](CCN1CCOCC1)C1CC[NH2+]CC1 ZINC000032919231 343244485 /nfs/dbraw/zinc/24/44/85/343244485.db2.gz QYKRHZNUFPPAIW-UHFFFAOYSA-N 2 0 227.352 0.002 50 0 BCAARP CC[NH+]1CCC(N(C)CC[NH+](C)C)CC1 ZINC000019636196 343271639 /nfs/dbraw/zinc/27/16/39/343271639.db2.gz AXLFKMLHYHCNBH-UHFFFAOYSA-N 2 0 213.369 0.964 50 0 BCAARP C[NH2+]Cc1cccc([C@@H]2C[N@H+](C)C[C@H]2C(N)=O)c1 ZINC000077010613 191006312 /nfs/dbraw/zinc/00/63/12/191006312.db2.gz VDCCHPPPIDGPRA-QWHCGFSZSA-N 2 0 247.342 0.537 50 0 BCAARP C/C1=[NH+]\CCNCCNCC/[NH+]=C(\C)C1 ZINC000100644433 191063534 /nfs/dbraw/zinc/06/35/34/191063534.db2.gz WIJZXQTWIKXZPR-WFYKWJGLSA-N 2 0 210.325 0.491 50 0 BCAARP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH3+] ZINC000020469761 180354549 /nfs/dbraw/zinc/35/45/49/180354549.db2.gz DWRDHNCNNSCZCB-UHFFFAOYSA-N 2 0 237.351 0.329 50 0 BCAARP CC(C)[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000011958322 188279499 /nfs/dbraw/zinc/27/94/99/188279499.db2.gz YMLYSLSDMGAVGT-VIFPVBQESA-N 2 0 201.314 0.038 50 0 BCAARP CC(C)[NH+]1CCC(N2C[C@@H]([NH3+])CN2)CC1 ZINC000091355908 188319173 /nfs/dbraw/zinc/31/91/73/188319173.db2.gz BDKJYEDPRWSDDI-JTQLQIEISA-N 2 0 212.341 0.007 50 0 BCAARP C1CC[NH+]([C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC000237992598 356382394 /nfs/dbraw/zinc/38/23/94/356382394.db2.gz BXMDDHIEMVBOIW-NSHDSACASA-N 2 0 210.321 0.993 50 0 BCAARP [NH3+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000095067844 181391747 /nfs/dbraw/zinc/39/17/47/181391747.db2.gz CXEJMFLWEVKOGS-UHFFFAOYSA-N 2 0 219.332 0.763 50 0 BCAARP [NH3+]C[C@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000097019686 181460321 /nfs/dbraw/zinc/46/03/21/181460321.db2.gz ZTZJQKIABACVLS-SECBINFHSA-N 2 0 211.309 0.208 50 0 BCAARP C[NH+]1CCC(N2CCC[N@H+](C)CC2)CC1 ZINC000019635883 371179515 /nfs/dbraw/zinc/17/95/15/371179515.db2.gz XTBIZRILTZVKOH-UHFFFAOYSA-N 2 0 211.353 0.718 50 0 BCAARP OC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000042783394 183029087 /nfs/dbraw/zinc/02/90/87/183029087.db2.gz YOPNZFYPCONLAQ-UHFFFAOYSA-N 2 0 212.337 0.833 50 0 BCAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236760225 169192005 /nfs/dbraw/zinc/19/20/05/169192005.db2.gz XBUBPKXXIIBNLT-VXGBXAGGSA-N 2 0 239.363 0.811 50 0 BCAARP [NH3+]C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000178322364 383842448 /nfs/dbraw/zinc/84/24/48/383842448.db2.gz YJUYBBRJJPVCNR-OLZOCXBDSA-N 2 0 247.342 0.679 50 0 BCAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000408513596 384264828 /nfs/dbraw/zinc/26/48/28/384264828.db2.gz RVEFRBQVHMUWCM-WOPDTQHZSA-N 2 0 239.363 0.537 50 0 BCAARP C[NH+](C)CCCOC[C@H]1CCC[NH2+]C1 ZINC000012138190 384306765 /nfs/dbraw/zinc/30/67/65/384306765.db2.gz TXWXWFRONXTRTO-NSHDSACASA-N 2 0 200.326 0.954 50 0 BCAARP CCOCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000072267437 384893262 /nfs/dbraw/zinc/89/32/62/384893262.db2.gz DLPUPVFMTYJISS-UHFFFAOYSA-N 2 0 230.352 0.317 50 0 BCAARP [NH3+][C@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000152173622 384988398 /nfs/dbraw/zinc/98/83/98/384988398.db2.gz IMUGRNUWWIGKJY-CHWSQXEVSA-N 2 0 247.342 0.945 50 0 BCAARP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000131767412 386222405 /nfs/dbraw/zinc/22/24/05/386222405.db2.gz HXTVYRGNFIOGOU-CYBMUJFWSA-N 2 0 247.342 0.969 50 0 BCAARP [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000332488737 386984152 /nfs/dbraw/zinc/98/41/52/386984152.db2.gz RIVOFDOTGJEVEY-GMTAPVOTSA-N 2 0 225.336 0.500 50 0 BCAARP C[C@H](Cn1cncn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426415667 387567168 /nfs/dbraw/zinc/56/71/68/387567168.db2.gz URPGNSHPAXWVFQ-GFCCVEGCSA-N 2 0 249.362 0.742 50 0 BCAARP C[NH2+]CCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000261558325 135198776 /nfs/dbraw/zinc/19/87/76/135198776.db2.gz YCKGCPWYOSZDNJ-IQJOONFLSA-N 2 0 213.325 0.099 50 0 BCAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236714969 388595346 /nfs/dbraw/zinc/59/53/46/388595346.db2.gz KLFUMUDNVRYOQQ-TUAOUCFPSA-N 2 0 241.379 0.911 50 0 BCAARP C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000299741363 388844251 /nfs/dbraw/zinc/84/42/51/388844251.db2.gz FIDAGHVSRRJNQM-VXGBXAGGSA-N 2 0 239.363 0.681 50 0 BCAARP C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000299739670 388844405 /nfs/dbraw/zinc/84/44/05/388844405.db2.gz RFIOUKDGPQTLCG-CKYFFXLPSA-N 2 0 243.326 0.274 50 0 BCAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000299747795 388845960 /nfs/dbraw/zinc/84/59/60/388845960.db2.gz FCIWVFIOEQIMSA-QCNOEVLYSA-N 2 0 239.363 0.842 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])N1CCN(c2ccccc2)CC1 ZINC000031570973 132334695 /nfs/dbraw/zinc/33/46/95/132334695.db2.gz LQWASOLNMNSTSB-UHFFFAOYSA-N 2 0 246.318 0.226 50 0 BCAARP CC(C)NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000036301418 167046543 /nfs/dbraw/zinc/04/65/43/167046543.db2.gz HDAPWBHYJNXVLY-UHFFFAOYSA-N 2 0 213.325 0.195 50 0 BCAARP C[NH2+]CCSCCSCC[NH2+]C ZINC000068605004 173357850 /nfs/dbraw/zinc/35/78/50/173357850.db2.gz SUKXFVCOFNLNPD-UHFFFAOYSA-N 2 0 208.396 0.892 50 0 BCAARP C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC000188395843 176257382 /nfs/dbraw/zinc/25/73/82/176257382.db2.gz FATLYVGVRGULFA-DGCLKSJQSA-N 2 0 247.342 0.549 50 0 BCAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[NH+](C)C ZINC000022593497 176277915 /nfs/dbraw/zinc/27/79/15/176277915.db2.gz KXVDQAXQVMYJPY-IJLUTSLNSA-N 2 0 213.369 0.866 50 0 BCAARP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000124575255 176326017 /nfs/dbraw/zinc/32/60/17/176326017.db2.gz LIRXGISLLWERAY-YPMHNXCESA-N 2 0 247.342 0.897 50 0 BCAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000121861253 176765738 /nfs/dbraw/zinc/76/57/38/176765738.db2.gz FCIWVFIOEQIMSA-USZNOCQGSA-N 2 0 239.363 0.842 50 0 BCAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH2+]CC1 ZINC000047843722 177199121 /nfs/dbraw/zinc/19/91/21/177199121.db2.gz YYSWLIJSBRAXMR-RYUDHWBXSA-N 2 0 211.353 0.764 50 0 BCAARP CC[NH+](CC)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000156625652 520569662 /nfs/dbraw/zinc/56/96/62/520569662.db2.gz GOFDOIVRDIUUKJ-VXGBXAGGSA-N 2 0 241.379 0.914 50 0 BCAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000152387357 519848208 /nfs/dbraw/zinc/84/82/08/519848208.db2.gz XBUBPKXXIIBNLT-RYUDHWBXSA-N 2 0 239.363 0.811 50 0 BCAARP CC[NH+](CC)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000156625409 520570248 /nfs/dbraw/zinc/57/02/48/520570248.db2.gz GOFDOIVRDIUUKJ-NEPJUHHUSA-N 2 0 241.379 0.914 50 0 BCAARP Cc1ccccc1OCCCNC(C[NH3+])C[NH3+] ZINC000864097482 589344875 /nfs/dbraw/zinc/34/48/75/589344875.db2.gz XFKYBJBYNKYGLL-UHFFFAOYSA-N 2 0 237.347 0.640 50 0 BCAARP CC[NH+]1CCN(CN2CC[NH+](CC)CC2)CC1 ZINC000019330950 589862811 /nfs/dbraw/zinc/86/28/11/589862811.db2.gz BAHHZNVNRCHXIG-UHFFFAOYSA-N 2 0 240.395 0.219 50 0 BCAARP COC[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958528780 635550609 /nfs/dbraw/zinc/55/06/09/635550609.db2.gz VFGUZLBXDHAMIB-VIFPVBQESA-N 2 0 230.352 0.632 50 0 BCAARP CC(C)OC[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528629 635552015 /nfs/dbraw/zinc/55/20/15/635552015.db2.gz XQXZUXZREOZTNX-DAAZQVBGSA-N 2 0 242.363 0.726 50 0 BCAARP CCC(CC)[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958527594 635552417 /nfs/dbraw/zinc/55/24/17/635552417.db2.gz ATTFGQUKTSZNQU-JTQLQIEISA-N 2 0 200.326 0.864 50 0 BCAARP Cn1cncc1[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527663 644806093 /nfs/dbraw/zinc/80/60/93/644806093.db2.gz DHSTWTYTWWOBLQ-QFPCYMEWSA-N 2 0 236.319 0.065 50 0 BCAARP Cc1nc(CC[NH3+])cc(N[C@@H](C)C[NH+](C)C)n1 ZINC000067872406 710993352 /nfs/dbraw/zinc/99/33/52/710993352.db2.gz XWOFRVINCCHPMX-VIFPVBQESA-N 2 0 237.351 0.648 50 0 BCAARP C[NH+]1CCCN(CN2CCC[N@@H+](C)CC2)CC1 ZINC000725377882 711664641 /nfs/dbraw/zinc/66/46/41/711664641.db2.gz FCHLIHZDHUURPC-UHFFFAOYSA-N 2 0 240.395 0.219 50 0 BCAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000299738500 136209425 /nfs/dbraw/zinc/20/94/25/136209425.db2.gz BOBZJKLQDLNNEF-WOPDTQHZSA-N 2 0 241.379 0.912 50 0 BCAARP C[C@@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000002387227 342719867 /nfs/dbraw/zinc/71/98/67/342719867.db2.gz NWDRKFORNVPWLY-CYBMUJFWSA-N 2 0 245.411 0.573 50 0 BCAARP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000253393493 398279175 /nfs/dbraw/zinc/27/91/75/398279175.db2.gz CSZXXLCYMFLAEA-GMTAPVOTSA-N 2 0 225.336 0.337 50 0 BCAARP Cc1c(C[NH+]2CCC(C[NH3+])CC2)cnn1C ZINC000012357863 342849771 /nfs/dbraw/zinc/84/97/71/342849771.db2.gz ITIRKEQOEGSYFP-UHFFFAOYSA-N 2 0 222.336 0.899 50 0 BCAARP C(C[NH+]1CCCCC1)N1CCC[NH2+]CC1 ZINC000020253483 342979144 /nfs/dbraw/zinc/97/91/44/342979144.db2.gz OASJTYNWICLXNL-UHFFFAOYSA-N 2 0 211.353 0.768 50 0 BCAARP C[NH2+]Cc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(N)=O)cc1 ZINC000242554630 187233883 /nfs/dbraw/zinc/23/38/83/187233883.db2.gz MPWGXPVQBFYWMG-QWHCGFSZSA-N 2 0 247.342 0.537 50 0 BCAARP COC(=O)C1CC[NH+](CCC[NH3+])CC1 ZINC000032627849 343238800 /nfs/dbraw/zinc/23/88/00/343238800.db2.gz ZEDHCRXBAWUUMZ-UHFFFAOYSA-N 2 0 200.282 0.220 50 0 BCAARP [NH3+]C[C@@H](O)COCC[NH2+]C1CCCCC1 ZINC000023549967 343275038 /nfs/dbraw/zinc/27/50/38/343275038.db2.gz HAHMOSDSLZRILR-LLVKDONJSA-N 2 0 216.325 0.245 50 0 BCAARP COc1ccc([C@@H]([NH3+])CN2CC[NH+](C)CC2)cc1 ZINC000023066652 187255066 /nfs/dbraw/zinc/25/50/66/187255066.db2.gz GIEDTLUQSFWSEZ-AWEZNQCLSA-N 2 0 249.358 0.942 50 0 BCAARP C[C@H](Cn1ccnc1)NC(=O)C1([NH3+])CCCC1 ZINC000037616217 343349599 /nfs/dbraw/zinc/34/95/99/343349599.db2.gz JAIJNYBWJDIEJL-SNVBAGLBSA-N 2 0 236.319 0.659 50 0 BCAARP Cc1cccc(CC[NH2+]C[C@]2(O)CC[NH2+]C2)n1 ZINC000077387130 179058729 /nfs/dbraw/zinc/05/87/29/179058729.db2.gz FGRAYHMRXMYWHM-CYBMUJFWSA-N 2 0 235.331 0.247 50 0 BCAARP CC[NH+]1CCN(c2cc(N)c(N)c[nH+]2)CC1 ZINC000669382611 538002468 /nfs/dbraw/zinc/00/24/68/538002468.db2.gz CWFXKAWVZLGFLU-UHFFFAOYSA-N 2 0 221.308 0.388 50 0 BCAARP C1C[NH2+]CCSCCSCC[NH2+]1 ZINC000068604718 190998585 /nfs/dbraw/zinc/99/85/85/190998585.db2.gz JUILBNVVOLDLFR-UHFFFAOYSA-N 2 0 206.380 0.646 50 0 BCAARP CC1(C)C[C@]2(CCO1)CN(CC[NH3+])CC[NH2+]2 ZINC000020411881 188006677 /nfs/dbraw/zinc/00/66/77/188006677.db2.gz PQNAXMCCNDZEGB-GFCCVEGCSA-N 2 0 227.352 0.178 50 0 BCAARP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH2+]CC2)C1 ZINC000068587364 188305072 /nfs/dbraw/zinc/30/50/72/188305072.db2.gz ALTPGGUBKWRYOA-GFCCVEGCSA-N 2 0 227.352 0.001 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000000477084 181188161 /nfs/dbraw/zinc/18/81/61/181188161.db2.gz HJSXINBXXSKWLZ-UHFFFAOYSA-N 2 0 244.302 0.718 50 0 BCAARP [NH3+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000002599550 181351074 /nfs/dbraw/zinc/35/10/74/181351074.db2.gz NHUQAUZDVZPUCM-UHFFFAOYSA-N 2 0 225.336 0.422 50 0 BCAARP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000019255955 181488219 /nfs/dbraw/zinc/48/82/19/181488219.db2.gz CJOCAKIMIJTCFQ-ZDUSSCGKSA-N 2 0 247.342 0.843 50 0 BCAARP OC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000042783368 183028854 /nfs/dbraw/zinc/02/88/54/183028854.db2.gz YZTMNDCGHOJYHZ-NSHDSACASA-N 2 0 212.337 0.833 50 0 BCAARP OC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000042783367 183029240 /nfs/dbraw/zinc/02/92/40/183029240.db2.gz YZTMNDCGHOJYHZ-LLVKDONJSA-N 2 0 212.337 0.833 50 0 BCAARP CCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112452 169201629 /nfs/dbraw/zinc/20/16/29/169201629.db2.gz UDJYROVNZNATCW-LLVKDONJSA-N 2 0 225.336 0.150 50 0 BCAARP CCc1cc(N2CC[C@H]([NH3+])C2)nc(N)[nH+]1 ZINC000114202330 384026474 /nfs/dbraw/zinc/02/64/74/384026474.db2.gz AZBCGUPNGHWKDL-ZETCQYMHSA-N 2 0 207.281 0.159 50 0 BCAARP [NH3+]CC[C@H]1CCC[N@H+](CCCCO)C1 ZINC000069626572 384050991 /nfs/dbraw/zinc/05/09/91/384050991.db2.gz FUOWQOZLXUDRMJ-LLVKDONJSA-N 2 0 200.326 0.820 50 0 BCAARP CC[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000042783351 384244384 /nfs/dbraw/zinc/24/43/84/384244384.db2.gz VLGOCHMYGAESQC-NSHDSACASA-N 2 0 200.326 0.690 50 0 BCAARP C[NH+](C)CCn1ccnc1C1CC[NH2+]CC1 ZINC000096032232 384422385 /nfs/dbraw/zinc/42/23/85/384422385.db2.gz SNPZJNYMRJJNHN-UHFFFAOYSA-N 2 0 222.336 0.912 50 0 BCAARP C[NH+](C)CCNC(=O)c1cccc(C[NH3+])c1 ZINC000021958082 384710793 /nfs/dbraw/zinc/71/07/93/384710793.db2.gz LCPVXBFIGZXBDU-UHFFFAOYSA-N 2 0 221.304 0.437 50 0 BCAARP C[NH+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000022145586 384738966 /nfs/dbraw/zinc/73/89/66/384738966.db2.gz MPJZAJXRNRVVHO-UHFFFAOYSA-N 2 0 221.304 0.437 50 0 BCAARP C[NH+](C)C[C@H](C[NH3+])[C@H](O)c1ccccc1 ZINC000032627092 385175025 /nfs/dbraw/zinc/17/50/25/385175025.db2.gz CJOOTINYVCEDFO-NWDGAFQWSA-N 2 0 208.305 0.857 50 0 BCAARP CN(CC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000407998312 385344546 /nfs/dbraw/zinc/34/45/46/385344546.db2.gz PAJTZVDWEJVPSN-UHFFFAOYSA-N 2 0 228.340 0.023 50 0 BCAARP Cc1nc(N2CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC000217508110 385324981 /nfs/dbraw/zinc/32/49/81/385324981.db2.gz DEURNQSDFBPVJP-UHFFFAOYSA-N 2 0 221.308 0.261 50 0 BCAARP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000157412883 385500295 /nfs/dbraw/zinc/50/02/95/385500295.db2.gz FKLSNHGEHORQKB-JTQLQIEISA-N 2 0 239.319 0.517 50 0 BCAARP C[C@H](CS(C)(=O)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000081900945 388013858 /nfs/dbraw/zinc/01/38/58/388013858.db2.gz CIUVQZDANLKDNO-SNVBAGLBSA-N 2 0 248.392 0.351 50 0 BCAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000237565510 388596162 /nfs/dbraw/zinc/59/61/62/388596162.db2.gz RVEFRBQVHMUWCM-UTUOFQBUSA-N 2 0 239.363 0.537 50 0 BCAARP CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127274476 170015829 /nfs/dbraw/zinc/01/58/29/170015829.db2.gz XIPQDOAHVQTDOC-SNVBAGLBSA-N 2 0 248.330 0.735 50 0 BCAARP CCOC(=O)N1CCC([NH2+]CCN(C)C)CC1 ZINC000019635949 170239577 /nfs/dbraw/zinc/23/95/77/170239577.db2.gz BOOCTAXYCRAVSI-UHFFFAOYSA-N 2 0 243.351 0.759 50 0 BCAARP C[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000019369524 173082205 /nfs/dbraw/zinc/08/22/05/173082205.db2.gz LAJJJUTXUOFUSR-LBPRGKRZSA-N 2 0 211.353 0.766 50 0 BCAARP C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000019398870 173093017 /nfs/dbraw/zinc/09/30/17/173093017.db2.gz VHZHFHXITHQLFZ-ZDUSSCGKSA-N 2 0 219.332 0.934 50 0 BCAARP CNC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497664 173299084 /nfs/dbraw/zinc/29/90/84/173299084.db2.gz FSLCOLAGLZSTLO-NSHDSACASA-N 2 0 225.336 0.196 50 0 BCAARP COC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000308947028 174457002 /nfs/dbraw/zinc/45/70/02/174457002.db2.gz OCJSGCXIDGFRGG-SNVBAGLBSA-N 2 0 216.325 0.068 50 0 BCAARP CO[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)OC ZINC000002597036 174723849 /nfs/dbraw/zinc/72/38/49/174723849.db2.gz VYQCQNCBTMHEFI-UWVGGRQHSA-N 2 0 204.314 0.140 50 0 BCAARP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000088099004 176347028 /nfs/dbraw/zinc/34/70/28/176347028.db2.gz PPSQOHNEORNGRQ-ZYHUDNBSSA-N 2 0 228.336 0.068 50 0 BCAARP C[C@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC000237620817 177222038 /nfs/dbraw/zinc/22/20/38/177222038.db2.gz FATLYVGVRGULFA-AAEUAGOBSA-N 2 0 247.342 0.549 50 0 BCAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)C ZINC000020462625 177368633 /nfs/dbraw/zinc/36/86/33/177368633.db2.gz KXVDQAXQVMYJPY-WOPDTQHZSA-N 2 0 213.369 0.866 50 0 BCAARP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1 ZINC000016981849 534962517 /nfs/dbraw/zinc/96/25/17/534962517.db2.gz VMVKLCXTXSSZSI-UHFFFAOYSA-N 2 0 217.276 0.872 50 0 BCAARP [NH3+][C@H](c1nccs1)C1(O)CC[NH2+]CC1 ZINC000958528912 635554167 /nfs/dbraw/zinc/55/41/67/635554167.db2.gz YMAPUFRISSOLTF-SSDOTTSWSA-N 2 0 213.306 0.257 50 0 BCAARP C[C@@H](C[N@H+](C)CCO)NC1(C)CC[NH2+]CC1 ZINC000426503921 635726998 /nfs/dbraw/zinc/72/69/98/635726998.db2.gz CWFNVUPIFUJDRT-NSHDSACASA-N 2 0 229.368 0.031 50 0 BCAARP [NH3+][C@H](C1CCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528183 644805858 /nfs/dbraw/zinc/80/58/58/644805858.db2.gz NSBBGQBQNSMSSA-FBTJUVTCSA-N 2 0 210.321 0.759 50 0 BCAARP Cc1nc(CC[NH3+])cc(N[C@H](C)C[NH+](C)C)n1 ZINC000067872407 710993155 /nfs/dbraw/zinc/99/31/55/710993155.db2.gz XWOFRVINCCHPMX-SECBINFHSA-N 2 0 237.351 0.648 50 0 BCAARP CCN(CC)CCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000004400451 342747376 /nfs/dbraw/zinc/74/73/76/342747376.db2.gz SPLKEQUSHJHMGF-NSHDSACASA-N 2 0 248.392 0.495 50 0 BCAARP C[NH+]1CCC(C[NH3+])(NC2CCCC2)CC1 ZINC000037408012 343344663 /nfs/dbraw/zinc/34/46/63/343344663.db2.gz XHHSKPNGMGVLJQ-UHFFFAOYSA-N 2 0 211.353 0.942 50 0 BCAARP CC(C)(C)OC(=O)N[C@H]([NH3+])CCCC[NH3+] ZINC000040448709 343404136 /nfs/dbraw/zinc/40/41/36/343404136.db2.gz SNOFDVCLHHEEKV-QMMMGPOBSA-N 2 0 217.313 0.925 50 0 BCAARP COCCn1ccnc1[C@H]1CCC[NH2+]C1 ZINC000096032241 187289243 /nfs/dbraw/zinc/28/92/43/187289243.db2.gz KIEXWRPIKAQARM-JTQLQIEISA-N 2 0 209.293 0.997 50 0 BCAARP Cc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)n1 ZINC000072157660 179091397 /nfs/dbraw/zinc/09/13/97/179091397.db2.gz IJUPRJNVZBTYLO-WCQYABFASA-N 2 0 235.331 0.450 50 0 BCAARP COCC[NH+](CCOC)[C@H]1CCC[NH2+]CC1 ZINC000082666735 323237293 /nfs/dbraw/zinc/23/72/93/323237293.db2.gz SNCSDPHRKNLTMQ-LBPRGKRZSA-N 2 0 230.352 0.723 50 0 BCAARP CC(C)[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000094293607 191045377 /nfs/dbraw/zinc/04/53/77/191045377.db2.gz JYYJEGIZSDYHJX-UHFFFAOYSA-N 2 0 239.363 0.811 50 0 BCAARP OCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000098063899 191061436 /nfs/dbraw/zinc/06/14/36/191061436.db2.gz XVUJUUBAYSPSGZ-NEPJUHHUSA-N 2 0 212.337 0.833 50 0 BCAARP C[NH+]1CCN([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)CC1 ZINC000601014751 350329603 /nfs/dbraw/zinc/32/96/03/350329603.db2.gz BDABZHDNXNUSBS-IJLUTSLNSA-N 2 0 209.337 0.232 50 0 BCAARP CCC1(N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000601012666 350329807 /nfs/dbraw/zinc/32/98/07/350329807.db2.gz XMFOCWDWBDJFMF-UHFFFAOYSA-N 2 0 211.353 0.766 50 0 BCAARP C[NH+](C)CCOCCOCC[NH+](C)C ZINC000003897820 352388532 /nfs/dbraw/zinc/38/85/32/352388532.db2.gz DMNIJELRGYXPHM-UHFFFAOYSA-N 2 0 204.314 0.143 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])N1N=CC[C@H]1c1ccccc1 ZINC000033467205 181188177 /nfs/dbraw/zinc/18/81/77/181188177.db2.gz SZZOILYQDCPXTM-VIFPVBQESA-N 2 0 230.275 0.837 50 0 BCAARP NC(=[NH2+])c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000019510795 181194083 /nfs/dbraw/zinc/19/40/83/181194083.db2.gz WTUPLNQZLZOBPI-UHFFFAOYSA-N 2 0 233.315 0.927 50 0 BCAARP NC(=[NH2+])SCCSCCSC(N)=[NH2+] ZINC000004087749 181192841 /nfs/dbraw/zinc/19/28/41/181192841.db2.gz ZPSKZCNISRXFAI-UHFFFAOYSA-N 2 0 238.407 0.973 50 0 BCAARP c1cc(C2=[NH+]CCN2)ccc1C1=[NH+]CCN1 ZINC000001692393 183334534 /nfs/dbraw/zinc/33/45/34/183334534.db2.gz VTSKAODQSCDUDE-UHFFFAOYSA-N 2 0 214.272 0.386 50 0 BCAARP CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000001713107 383929020 /nfs/dbraw/zinc/92/90/20/383929020.db2.gz SKCNNQDRNPQEFU-UHFFFAOYSA-N 2 0 201.358 0.822 50 0 BCAARP [NH3+]C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019385070 384519373 /nfs/dbraw/zinc/51/93/73/384519373.db2.gz IEXWPHQRTDZXHB-AWEZNQCLSA-N 2 0 249.358 0.124 50 0 BCAARP C(CN1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000022026802 384722665 /nfs/dbraw/zinc/72/26/65/384722665.db2.gz MGOANZSZEXTOLW-UHFFFAOYSA-N 2 0 211.353 0.768 50 0 BCAARP COC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000308947027 385309828 /nfs/dbraw/zinc/30/98/28/385309828.db2.gz OCJSGCXIDGFRGG-JTQLQIEISA-N 2 0 216.325 0.068 50 0 BCAARP C[C@@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495865 385761631 /nfs/dbraw/zinc/76/16/31/385761631.db2.gz SKHPZOYRDLXMTA-RKDXNWHRSA-N 2 0 211.309 0.077 50 0 BCAARP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262549411 386295928 /nfs/dbraw/zinc/29/59/28/386295928.db2.gz PMPCCQOZJAZCHO-WOPDTQHZSA-N 2 0 239.363 0.844 50 0 BCAARP OC1CC[NH+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000585672854 386701818 /nfs/dbraw/zinc/70/18/18/386701818.db2.gz JGGOQYVTRLQHMF-MVWJERBFSA-N 2 0 210.321 0.441 50 0 BCAARP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000061710128 387845656 /nfs/dbraw/zinc/84/56/56/387845656.db2.gz VXVKBTHTLZICEQ-GFCCVEGCSA-N 2 0 206.289 0.712 50 0 BCAARP C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000299741362 388844615 /nfs/dbraw/zinc/84/46/15/388844615.db2.gz FIDAGHVSRRJNQM-NWDGAFQWSA-N 2 0 239.363 0.681 50 0 BCAARP C[NH+]1CCN(c2cccc(C[NH3+])c2)CC1 ZINC000004271691 132316446 /nfs/dbraw/zinc/31/64/46/132316446.db2.gz VKTLTRIKVYJVOX-UHFFFAOYSA-N 2 0 205.305 0.897 50 0 in-vitro BCAARP CC(C)CN1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000299799529 135207118 /nfs/dbraw/zinc/20/71/18/135207118.db2.gz SDPRRFVVXBNXEN-MNOVXSKESA-N 2 0 227.352 0.569 50 0 BCAARP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000261604940 135238050 /nfs/dbraw/zinc/23/80/50/135238050.db2.gz AXKMUMQEDFZDRL-IJLUTSLNSA-N 2 0 239.363 0.680 50 0 BCAARP CC(C)NC(=O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000106897049 167060627 /nfs/dbraw/zinc/06/06/27/167060627.db2.gz GWLXLAFXLCCXJS-SDDRHHMPSA-N 2 0 241.379 0.829 50 0 BCAARP CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000019636537 169953063 /nfs/dbraw/zinc/95/30/63/169953063.db2.gz SVOUNFNLVSMMEN-UHFFFAOYSA-N 2 0 211.353 0.718 50 0 BCAARP C[N@@H+]1CCN(CC[NH3+])[C@H](c2ccccc2)C1 ZINC000036378401 173081124 /nfs/dbraw/zinc/08/11/24/173081124.db2.gz VQOQFWUXNDOQEN-ZDUSSCGKSA-N 2 0 219.332 0.934 50 0 BCAARP C[NH2+]C1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000097019051 173322132 /nfs/dbraw/zinc/32/21/32/173322132.db2.gz QMQWUJDKNFRTQJ-UHFFFAOYSA-N 2 0 239.363 0.858 50 0 BCAARP C[C@H]1CO[C@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000088099001 177302209 /nfs/dbraw/zinc/30/22/09/177302209.db2.gz PPSQOHNEORNGRQ-JQWIXIFHSA-N 2 0 228.336 0.068 50 0 BCAARP Cn1cc[n+](CCC[n+]2ccn(C)c2)c1 ZINC000019873028 518195133 /nfs/dbraw/zinc/19/51/33/518195133.db2.gz PDUGASWGGNAACM-UHFFFAOYSA-N 2 0 206.293 0.029 50 0 BCAARP CC(C)[N@H+](C)CC(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000390834757 519612250 /nfs/dbraw/zinc/61/22/50/519612250.db2.gz XDAQQGOVBJFQJH-NWDGAFQWSA-N 2 0 241.379 0.831 50 0 BCAARP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000178408863 522053831 /nfs/dbraw/zinc/05/38/31/522053831.db2.gz MRTBXDJMMIKFIP-AAEUAGOBSA-N 2 0 247.342 0.754 50 0 BCAARP C[NH2+]CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000261558324 536444729 /nfs/dbraw/zinc/44/47/29/536444729.db2.gz YCKGCPWYOSZDNJ-FXPVBKGRSA-N 2 0 213.325 0.099 50 0 BCAARP c1ccc(C[NH2+]CCN2CC[NH2+]CC2)nc1 ZINC000019899007 526471907 /nfs/dbraw/zinc/47/19/07/526471907.db2.gz KRQSKMDJMSKNLA-UHFFFAOYSA-N 2 0 220.320 0.076 50 0 in-vitro BCAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000262534993 535363930 /nfs/dbraw/zinc/36/39/30/535363930.db2.gz MOCDDCITQZVHIV-RYUDHWBXSA-N 2 0 239.363 0.668 50 0 BCAARP C[NH+](C)Cc1ccoc1-c1n[nH]c(C[NH3+])n1 ZINC000950757295 641958278 /nfs/dbraw/zinc/95/82/78/641958278.db2.gz PTIKMQACTISTJR-UHFFFAOYSA-N 2 0 221.264 0.585 50 0 BCAARP [NH3+][C@H](c1ccc(F)cc1)C1(O)CC[NH2+]CC1 ZINC000958528104 644805929 /nfs/dbraw/zinc/80/59/29/644805929.db2.gz JPGHDLJAUJEEMJ-LLVKDONJSA-N 2 0 224.279 0.940 50 0 BCAARP [NH3+][C@H](CCC(F)(F)F)C1(O)CC[NH2+]CC1 ZINC000958528861 644807468 /nfs/dbraw/zinc/80/74/68/644807468.db2.gz XDTVJHGXMIXLAG-SSDOTTSWSA-N 2 0 226.242 0.771 50 0 BCAARP COc1ccc(CNC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000000219344 342680474 /nfs/dbraw/zinc/68/04/74/342680474.db2.gz KLULAEAPTZQZMV-UHFFFAOYSA-N 2 0 221.264 0.203 50 0 BCAARP CCN(CC)CCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000004400450 342747419 /nfs/dbraw/zinc/74/74/19/342747419.db2.gz SPLKEQUSHJHMGF-LLVKDONJSA-N 2 0 248.392 0.495 50 0 BCAARP [NH3+]C[C@H](O)COCC[NH2+]C1CCCCC1 ZINC000023549968 343275142 /nfs/dbraw/zinc/27/51/42/343275142.db2.gz HAHMOSDSLZRILR-NSHDSACASA-N 2 0 216.325 0.245 50 0 BCAARP C[C@@H](Cn1ccnc1)NC(=O)C1([NH3+])CCCC1 ZINC000037616216 343349562 /nfs/dbraw/zinc/34/95/62/343349562.db2.gz JAIJNYBWJDIEJL-JTQLQIEISA-N 2 0 236.319 0.659 50 0 BCAARP Cn1cc[n+](-c2cccc(-[n+]3ccn(C)c3)n2)c1 ZINC000044075629 343491363 /nfs/dbraw/zinc/49/13/63/343491363.db2.gz NFXSHZUXDAPIIJ-UHFFFAOYSA-N 2 0 241.298 0.312 50 0 BCAARP OC(C[n+]1ccccc1)C[n+]1ccccc1 ZINC000000323347 346412163 /nfs/dbraw/zinc/41/21/63/346412163.db2.gz RGKYSMIRXZSYSW-UHFFFAOYSA-N 2 0 216.284 0.323 50 0 BCAARP c1nc(C[NH+]2CCCC2)c2n1CCC[NH2+]C2 ZINC000309356368 350351554 /nfs/dbraw/zinc/35/15/54/350351554.db2.gz ILBDUTRXJCHOTR-UHFFFAOYSA-N 2 0 220.320 0.972 50 0 BCAARP [NH3+][C@H]1[C@@H](O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000601012365 350329226 /nfs/dbraw/zinc/32/92/26/350329226.db2.gz BVXZDLTZJLZLFA-RVMXOQNASA-N 2 0 218.300 0.579 50 0 BCAARP C[NH+]1CCN([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000601014752 350329669 /nfs/dbraw/zinc/32/96/69/350329669.db2.gz BDABZHDNXNUSBS-QJPTWQEYSA-N 2 0 209.337 0.232 50 0 BCAARP CN1CC[NH+]([C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000601014824 350329971 /nfs/dbraw/zinc/32/99/71/350329971.db2.gz VWADVWMZLXTKKY-FRRDWIJNSA-N 2 0 223.364 0.622 50 0 BCAARP COc1ccc(NC(=[NH2+])NC(N)=[NH2+])c(OC)c1 ZINC000004674910 191119189 /nfs/dbraw/zinc/11/91/89/191119189.db2.gz YDGJQGSCPBVIMN-UHFFFAOYSA-N 2 0 237.263 0.534 50 0 BCAARP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044806617 352657174 /nfs/dbraw/zinc/65/71/74/352657174.db2.gz PSDSTZLFOHUDGH-OUAUKWLOSA-N 2 0 225.336 0.324 50 0 BCAARP CC(C)(C)OC(=O)C1([NH3+])CCC([NH3+])CC1 ZINC000059268627 188302782 /nfs/dbraw/zinc/30/27/82/188302782.db2.gz PUYJCTMGNZGOTF-UHFFFAOYSA-N 2 0 214.309 0.927 50 0 BCAARP CC[N@@H+]1C[C@@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@H]1C(C)C ZINC000675050890 538473227 /nfs/dbraw/zinc/47/32/27/538473227.db2.gz YQYLOAXJUMYLJH-KKOKHZNYSA-N 2 0 212.337 0.815 50 0 BCAARP CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000131858473 371698469 /nfs/dbraw/zinc/69/84/69/371698469.db2.gz CQOJPVCADITXAU-BBBLOLIVSA-N 2 0 213.325 0.323 50 0 BCAARP CN(C(=O)n1cc[n+](C)c1)C1CC[NH+](C)CC1 ZINC000008393167 372695050 /nfs/dbraw/zinc/69/50/50/372695050.db2.gz LJLWFZMTTDKQQD-UHFFFAOYSA-N 2 0 237.327 0.307 50 0 BCAARP C/C1=N/CC[NH2+]CCNCC[NH2+]C(C)(C)C1 ZINC000068604784 384003323 /nfs/dbraw/zinc/00/33/23/384003323.db2.gz DRACUJHPTZWNDL-PTNGSMBKSA-N 2 0 226.368 0.398 50 0 BCAARP CC(C)C[C@@H]([NH3+])c1nnc2n1CC[NH2+]CC2 ZINC000067973717 383962084 /nfs/dbraw/zinc/96/20/84/383962084.db2.gz ZQAYZYVVJMOYSX-SECBINFHSA-N 2 0 223.324 0.470 50 0 BCAARP C[NH+](C)CCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000019441201 384521664 /nfs/dbraw/zinc/52/16/64/384521664.db2.gz SZVUYBCNMYTWJB-CYBMUJFWSA-N 2 0 249.358 0.624 50 0 BCAARP [NH3+][C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000152173723 384988375 /nfs/dbraw/zinc/98/83/75/384988375.db2.gz IMUGRNUWWIGKJY-OLZOCXBDSA-N 2 0 247.342 0.945 50 0 BCAARP C[NH+](C)C[C@@H](C[NH3+])[C@@H](O)c1ccccc1 ZINC000032627085 385176109 /nfs/dbraw/zinc/17/61/09/385176109.db2.gz CJOOTINYVCEDFO-NEPJUHHUSA-N 2 0 208.305 0.857 50 0 BCAARP Nc1ccncc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000128138872 385957452 /nfs/dbraw/zinc/95/74/52/385957452.db2.gz RTKQVJQBKGVHHM-JTQLQIEISA-N 2 0 246.314 0.584 50 0 BCAARP [NH3+]Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000222857014 386066628 /nfs/dbraw/zinc/06/66/28/386066628.db2.gz HAJVQPSDGACAQK-LJGSYFOKSA-N 2 0 207.281 0.276 50 0 BCAARP OC1CC[NH+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000585672853 386701267 /nfs/dbraw/zinc/70/12/67/386701267.db2.gz JGGOQYVTRLQHMF-ADEWGFFLSA-N 2 0 210.321 0.441 50 0 BCAARP [NH3+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710127 387845851 /nfs/dbraw/zinc/84/58/51/387845851.db2.gz VXVKBTHTLZICEQ-LBPRGKRZSA-N 2 0 206.289 0.712 50 0 BCAARP C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1C[NH3+] ZINC000299739672 388844598 /nfs/dbraw/zinc/84/45/98/388844598.db2.gz RFIOUKDGPQTLCG-JFGNBEQYSA-N 2 0 243.326 0.274 50 0 BCAARP CCNc1nc(N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000084495431 398068121 /nfs/dbraw/zinc/06/81/21/398068121.db2.gz DVAGXSLOHDABKI-UHFFFAOYSA-N 2 0 221.308 0.626 50 0 BCAARP CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127274711 170007488 /nfs/dbraw/zinc/00/74/88/170007488.db2.gz XIPQDOAHVQTDOC-JTQLQIEISA-N 2 0 248.330 0.735 50 0 BCAARP CC[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000002485205 170119560 /nfs/dbraw/zinc/11/95/60/170119560.db2.gz AGYHCMWTZRGOOK-LLVKDONJSA-N 2 0 200.326 0.689 50 0 BCAARP CCOCC[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069595812 170412072 /nfs/dbraw/zinc/41/20/72/170412072.db2.gz WZMAFGOJYRBPPU-LBPRGKRZSA-N 2 0 244.379 0.705 50 0 BCAARP C[NH+](C)CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019408402 172438141 /nfs/dbraw/zinc/43/81/41/172438141.db2.gz SOSRFVIGDZCFHF-SNVBAGLBSA-N 2 0 213.325 0.054 50 0 BCAARP C[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000019362183 173081751 /nfs/dbraw/zinc/08/17/51/173081751.db2.gz LAJJJUTXUOFUSR-GFCCVEGCSA-N 2 0 211.353 0.766 50 0 BCAARP C[NH+]1CCN(C[C@H]2CCCCC[NH2+]2)CC1 ZINC000022204728 173085453 /nfs/dbraw/zinc/08/54/53/173085453.db2.gz IZISZCRXNZKANJ-GFCCVEGCSA-N 2 0 211.353 0.766 50 0 BCAARP CNC(=[NH2+])NCCCCCCNC(C)=[NH2+] ZINC000072482058 173210349 /nfs/dbraw/zinc/21/03/49/173210349.db2.gz SAGIGHPRUJPLKX-UHFFFAOYSA-N 2 0 213.329 0.877 50 0 BCAARP C[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000237483248 176090982 /nfs/dbraw/zinc/09/09/82/176090982.db2.gz OBDGJZQUPAEQCX-ZYHUDNBSSA-N 2 0 239.363 0.572 50 0 BCAARP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000131857103 176257877 /nfs/dbraw/zinc/25/78/77/176257877.db2.gz ZHASAPYCVOCJDP-NQBHXWOUSA-N 2 0 247.342 0.895 50 0 BCAARP C[C@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000237609517 177217240 /nfs/dbraw/zinc/21/72/40/177217240.db2.gz QHUCDTDLKXRTNK-AAEUAGOBSA-N 2 0 247.342 0.897 50 0 BCAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)C ZINC000022593501 177332440 /nfs/dbraw/zinc/33/24/40/177332440.db2.gz KXVDQAXQVMYJPY-GRYCIOLGSA-N 2 0 213.369 0.866 50 0 BCAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157724212 519854339 /nfs/dbraw/zinc/85/43/39/519854339.db2.gz VQVZQRFITRIQMZ-RYUDHWBXSA-N 2 0 239.363 0.811 50 0 BCAARP CCOCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071877582 519904229 /nfs/dbraw/zinc/90/42/29/519904229.db2.gz MJBBDIXYGFQSNQ-UHFFFAOYSA-N 2 0 244.379 0.659 50 0 BCAARP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000178408845 522053972 /nfs/dbraw/zinc/05/39/72/522053972.db2.gz MRTBXDJMMIKFIP-WCQYABFASA-N 2 0 247.342 0.754 50 0 BCAARP CCC[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000045723977 534931219 /nfs/dbraw/zinc/93/12/19/534931219.db2.gz XJBCQZKTMMTKLD-UHFFFAOYSA-N 2 0 235.335 0.899 50 0 BCAARP C[N@H+](CCn1cnnc1)C[C@H]1CCC[NH2+]C1 ZINC000707298291 712169371 /nfs/dbraw/zinc/16/93/71/712169371.db2.gz PDWLQSCRRYKWDE-NSHDSACASA-N 2 0 223.324 0.210 50 0 BCAARP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000082645543 398276947 /nfs/dbraw/zinc/27/69/47/398276947.db2.gz YARCZUYRMJKTCN-ZJUUUORDSA-N 2 0 200.326 0.817 50 0 BCAARP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000082645540 398277020 /nfs/dbraw/zinc/27/70/20/398277020.db2.gz YARCZUYRMJKTCN-VHSXEESVSA-N 2 0 200.326 0.817 50 0 BCAARP C[NH+]1CCC(C[NH3+])(N2CCCCC2)CC1 ZINC000019486870 342950149 /nfs/dbraw/zinc/95/01/49/342950149.db2.gz ALKYOCFYYIHZIX-UHFFFAOYSA-N 2 0 211.353 0.895 50 0 BCAARP CC[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000058379927 343699869 /nfs/dbraw/zinc/69/98/69/343699869.db2.gz XNSJQGVLVGCABA-NSHDSACASA-N 2 0 224.352 0.657 50 0 BCAARP CC[N@@H+]1CCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000058379925 343700141 /nfs/dbraw/zinc/70/01/41/343700141.db2.gz XNSJQGVLVGCABA-LLVKDONJSA-N 2 0 224.352 0.657 50 0 BCAARP C[NH2+]Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1 ZINC000503944056 530007219 /nfs/dbraw/zinc/00/72/19/530007219.db2.gz MPWGXPVQBFYWMG-STQMWFEESA-N 2 0 247.342 0.537 50 0 BCAARP Cc1cccc(CC[NH2+]C[C@@]2(O)CC[NH2+]C2)n1 ZINC000077387133 179057874 /nfs/dbraw/zinc/05/78/74/179057874.db2.gz FGRAYHMRXMYWHM-ZDUSSCGKSA-N 2 0 235.331 0.247 50 0 BCAARP [NH3+][C@@H]1[C@@H](O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000601012364 350329035 /nfs/dbraw/zinc/32/90/35/350329035.db2.gz BVXZDLTZJLZLFA-CYDGBPFRSA-N 2 0 218.300 0.579 50 0 BCAARP C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000019687622 351266058 /nfs/dbraw/zinc/26/60/58/351266058.db2.gz YTTFKFYJUULWDI-NSHDSACASA-N 2 0 239.363 0.811 50 0 BCAARP COC(=O)C(C)(C)C[NH+]1CCC([NH3+])CC1 ZINC000086594818 352375744 /nfs/dbraw/zinc/37/57/44/352375744.db2.gz FQYXRHXORXAVTN-UHFFFAOYSA-N 2 0 214.309 0.609 50 0 BCAARP CCOc1ccccc1NC(=[NH2+])NC(N)=[NH2+] ZINC000000470380 188273311 /nfs/dbraw/zinc/27/33/11/188273311.db2.gz KRWFGEYBAWMPBG-UHFFFAOYSA-N 2 0 221.264 0.915 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])N1CCc2ccccc21 ZINC000004450551 181187974 /nfs/dbraw/zinc/18/79/74/181187974.db2.gz REPFDPVKFFPIOG-UHFFFAOYSA-N 2 0 203.249 0.467 50 0 BCAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000262534990 535364000 /nfs/dbraw/zinc/36/40/00/535364000.db2.gz MOCDDCITQZVHIV-NEPJUHHUSA-N 2 0 239.363 0.668 50 0 BCAARP [NH3+]CCN1CCC([NH+]2CCCCC2)CC1 ZINC000032919805 181392384 /nfs/dbraw/zinc/39/23/84/181392384.db2.gz VWRTWSXDVXJWDX-UHFFFAOYSA-N 2 0 211.353 0.895 50 0 BCAARP [NH3+]C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000178322347 181416603 /nfs/dbraw/zinc/41/66/03/181416603.db2.gz YJUYBBRJJPVCNR-CHWSQXEVSA-N 2 0 247.342 0.679 50 0 BCAARP C[NH2+]Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1 ZINC000299843124 259549341 /nfs/dbraw/zinc/54/93/41/259549341.db2.gz MPWGXPVQBFYWMG-OLZOCXBDSA-N 2 0 247.342 0.537 50 0 BCAARP OCC[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000069415275 183072265 /nfs/dbraw/zinc/07/22/65/183072265.db2.gz LJAVRHHNOCITRJ-UHFFFAOYSA-N 2 0 249.358 0.876 50 0 BCAARP OCC[NH2+]CCC[NH2+]CCc1ccccc1 ZINC000013732722 183078093 /nfs/dbraw/zinc/07/80/93/183078093.db2.gz ZVGISMFWBRXJBW-UHFFFAOYSA-N 2 0 222.332 0.791 50 0 BCAARP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000068577281 383999935 /nfs/dbraw/zinc/99/99/35/383999935.db2.gz CZCYWYTZXZUBOO-QWHCGFSZSA-N 2 0 220.316 0.828 50 0 BCAARP C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000002005771 383943123 /nfs/dbraw/zinc/94/31/23/383943123.db2.gz HGELOQHEYZXOJS-CYBMUJFWSA-N 2 0 247.342 0.379 50 0 BCAARP COCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000067895495 383955698 /nfs/dbraw/zinc/95/56/98/383955698.db2.gz NPSYGXOZJOZKTG-ZDUSSCGKSA-N 2 0 242.363 0.723 50 0 BCAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC000071773130 384178367 /nfs/dbraw/zinc/17/83/67/384178367.db2.gz TYWQDBNQJUWUCN-UHFFFAOYSA-N 2 0 241.379 0.786 50 0 BCAARP CC[N@H+](CCO)CC[C@@H]1CCCC[NH2+]1 ZINC000042783331 384245420 /nfs/dbraw/zinc/24/54/20/384245420.db2.gz MZAZIKMBTLVGEH-NSHDSACASA-N 2 0 200.326 0.833 50 0 BCAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000408522611 384285906 /nfs/dbraw/zinc/28/59/06/384285906.db2.gz KLFUMUDNVRYOQQ-WOPDTQHZSA-N 2 0 241.379 0.911 50 0 BCAARP C/C1=N\CC[NH2+]CCNCC[NH2+]C(C)(C)C1 ZINC000095101056 384365916 /nfs/dbraw/zinc/36/59/16/384365916.db2.gz DRACUJHPTZWNDL-RVDMUPIBSA-N 2 0 226.368 0.398 50 0 BCAARP C[NH+](C)CCN1C(=O)CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000160010567 384379176 /nfs/dbraw/zinc/37/91/76/384379176.db2.gz GLZNFMCXIRETDZ-MNOVXSKESA-N 2 0 225.336 0.149 50 0 BCAARP [NH3+]C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000237797497 384389319 /nfs/dbraw/zinc/38/93/19/384389319.db2.gz GZEVAUXQBOAQJY-NEPJUHHUSA-N 2 0 233.315 0.289 50 0 BCAARP C[NH+](C)CC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019749197 384536721 /nfs/dbraw/zinc/53/67/21/384536721.db2.gz IGXMLLHPKGFYFY-SNVBAGLBSA-N 2 0 213.325 0.196 50 0 BCAARP C[C@H](C(=O)N1CCn2cncc2C1)[NH+]1CCCC1 ZINC000072169339 384793524 /nfs/dbraw/zinc/79/35/24/384793524.db2.gz PQFMDWBCLPDYTQ-LLVKDONJSA-N 2 0 248.330 0.710 50 0 BCAARP C1CC2(CC[NH2+]CC2)[C@@H]1[NH+]1CCOCC1 ZINC000169676575 385416935 /nfs/dbraw/zinc/41/69/35/385416935.db2.gz ATXFCKCEPLUCTG-LLVKDONJSA-N 2 0 210.321 0.851 50 0 BCAARP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262549409 386295471 /nfs/dbraw/zinc/29/54/71/386295471.db2.gz PMPCCQOZJAZCHO-SRVKXCTJSA-N 2 0 239.363 0.844 50 0 BCAARP [NH3+][C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000332488743 386981222 /nfs/dbraw/zinc/98/12/22/386981222.db2.gz RIVOFDOTGJEVEY-VWYCJHECSA-N 2 0 225.336 0.500 50 0 BCAARP C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127419235 387118001 /nfs/dbraw/zinc/11/80/01/387118001.db2.gz GRGSUYAPHRHMFV-JTQLQIEISA-N 2 0 248.330 0.735 50 0 BCAARP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000170786910 388460762 /nfs/dbraw/zinc/46/07/62/388460762.db2.gz HIKSTEKPTOBHFW-GFCCVEGCSA-N 2 0 233.315 0.709 50 0 BCAARP C[NH+]1CCN(c2ncccc2C[NH3+])CC1 ZINC000022167673 132332394 /nfs/dbraw/zinc/33/23/94/132332394.db2.gz LUCQKISFLSLQBI-UHFFFAOYSA-N 2 0 206.293 0.292 50 0 BCAARP CCC(=O)N1CCc2[nH]cnc2C12CC[NH2+]CC2 ZINC000253495412 168225630 /nfs/dbraw/zinc/22/56/30/168225630.db2.gz CTIWSJOZRPBMGL-UHFFFAOYSA-N 2 0 248.330 0.783 50 0 BCAARP CCOC(=O)C1CC[NH+](CCC[NH3+])CC1 ZINC000032911308 170193410 /nfs/dbraw/zinc/19/34/10/170193410.db2.gz POQYLKMTBDPINH-UHFFFAOYSA-N 2 0 214.309 0.610 50 0 BCAARP C[N@@H+]1CCCN(c2ccc(C[NH3+])cn2)CC1 ZINC000020217471 173016241 /nfs/dbraw/zinc/01/62/41/173016241.db2.gz POYAHDAVWOUPCC-UHFFFAOYSA-N 2 0 220.320 0.682 50 0 BCAARP C[NH2+]C[C@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000079571479 173376813 /nfs/dbraw/zinc/37/68/13/173376813.db2.gz LYZFHGGHLJXNOG-AWEZNQCLSA-N 2 0 234.343 0.668 50 0 BCAARP C[NH2+]C[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000097000913 173378589 /nfs/dbraw/zinc/37/85/89/173378589.db2.gz AWXMFYHJNHEGGJ-LLVKDONJSA-N 2 0 239.363 0.716 50 0 BCAARP COCC[NH+](CCCCC[NH3+])CCOC ZINC000004226769 174290544 /nfs/dbraw/zinc/29/05/44/174290544.db2.gz HXVMHFMMRUVJNH-UHFFFAOYSA-N 2 0 218.341 0.710 50 0 BCAARP COCC[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069655169 174332645 /nfs/dbraw/zinc/33/26/45/174332645.db2.gz XXJWHQRFGDNLSS-LLVKDONJSA-N 2 0 230.352 0.315 50 0 BCAARP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000188365558 176247056 /nfs/dbraw/zinc/24/70/56/176247056.db2.gz QHUCDTDLKXRTNK-DGCLKSJQSA-N 2 0 247.342 0.897 50 0 BCAARP C[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000237683077 177090881 /nfs/dbraw/zinc/09/08/81/177090881.db2.gz OBDGJZQUPAEQCX-JQWIXIFHSA-N 2 0 239.363 0.572 50 0 BCAARP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000390832930 527349942 /nfs/dbraw/zinc/34/99/42/527349942.db2.gz GNNNIVKIUSQDHS-UTUOFQBUSA-N 2 0 239.363 0.762 50 0 BCAARP CC[N@@H+]1CCC[C@](O)(CN2CC[NH+]=C2C)C1 ZINC000046087882 583151176 /nfs/dbraw/zinc/15/11/76/583151176.db2.gz MJTCWRPZDHRSQU-GFCCVEGCSA-N 2 0 225.336 0.567 50 0 BCAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCCOC1)C2 ZINC000426419976 635711988 /nfs/dbraw/zinc/71/19/88/635711988.db2.gz KSPIBRZGBBNPKW-KXNHARMFSA-N 2 0 210.321 0.835 50 0 BCAARP [NH3+][C@H](c1ccns1)C1(O)CC[NH2+]CC1 ZINC000958528204 644806126 /nfs/dbraw/zinc/80/61/26/644806126.db2.gz NXNHKFLQBQISMW-MRVPVSSYSA-N 2 0 213.306 0.257 50 0 BCAARP Cc1nn(C)c(C)c1[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528385 644807186 /nfs/dbraw/zinc/80/71/86/644807186.db2.gz NZRRKCGSHDATOW-LLVKDONJSA-N 2 0 238.335 0.151 50 0 BCAARP Cc1nn(C)c(C)c1[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528387 644808234 /nfs/dbraw/zinc/80/82/34/644808234.db2.gz NZRRKCGSHDATOW-NSHDSACASA-N 2 0 238.335 0.151 50 0 BCAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000299738499 136209578 /nfs/dbraw/zinc/20/95/78/136209578.db2.gz BOBZJKLQDLNNEF-SRVKXCTJSA-N 2 0 241.379 0.912 50 0 BCAARP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000082645542 398276881 /nfs/dbraw/zinc/27/68/81/398276881.db2.gz YARCZUYRMJKTCN-UWVGGRQHSA-N 2 0 200.326 0.817 50 0 BCAARP C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000253393491 398279129 /nfs/dbraw/zinc/27/91/29/398279129.db2.gz CSZXXLCYMFLAEA-AXFHLTTASA-N 2 0 225.336 0.337 50 0 BCAARP CCC[NH+]1CCN(c2ccc(C[NH2+]C)nn2)CC1 ZINC000051436443 534931112 /nfs/dbraw/zinc/93/11/12/534931112.db2.gz UPRBMQAKHGROAI-UHFFFAOYSA-N 2 0 249.362 0.728 50 0 BCAARP C[C@@H](C[NH2+]CCNCCO)c1ccccc1 ZINC000020477688 342986561 /nfs/dbraw/zinc/98/65/61/342986561.db2.gz GQTIGIZZCJOHDO-LBPRGKRZSA-N 2 0 222.332 0.962 50 0 BCAARP CN1CCC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000241161370 344116671 /nfs/dbraw/zinc/11/66/71/344116671.db2.gz KAICCYOQWGMHAV-NWDGAFQWSA-N 2 0 249.362 0.609 50 0 BCAARP [NH3+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000020262988 181362032 /nfs/dbraw/zinc/36/20/32/181362032.db2.gz IWYHVVSOLJTLRK-UHFFFAOYSA-N 2 0 220.316 0.972 50 0 BCAARP [NH3+]Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])o1 ZINC000170048171 181481000 /nfs/dbraw/zinc/48/10/00/181481000.db2.gz AWFMQMYBBSORFF-SECBINFHSA-N 2 0 237.303 0.692 50 0 BCAARP OCC[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000042783339 183074653 /nfs/dbraw/zinc/07/46/53/183074653.db2.gz MKQGXQRZYKEDAL-ZDUSSCGKSA-N 2 0 241.379 0.129 50 0 BCAARP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH3+] ZINC000041680258 169158574 /nfs/dbraw/zinc/15/85/74/169158574.db2.gz LSEQEJDAAKJTSX-VIFPVBQESA-N 2 0 201.314 0.134 50 0 BCAARP CCCNC(=O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036908686 169228705 /nfs/dbraw/zinc/22/87/05/169228705.db2.gz GRTVUGLPHXUVTH-SDDRHHMPSA-N 2 0 241.379 0.831 50 0 BCAARP C[NH+](C)CCCNC(=O)C1([NH3+])CCCCC1 ZINC000019471002 384524865 /nfs/dbraw/zinc/52/48/65/384524865.db2.gz MFWSHHKRDSRZEB-UHFFFAOYSA-N 2 0 227.352 0.716 50 0 BCAARP [NH3+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000101740439 384689250 /nfs/dbraw/zinc/68/92/50/384689250.db2.gz OJLWRBSJLOKJNJ-RYUDHWBXSA-N 2 0 206.289 0.581 50 0 BCAARP C[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000131767642 386222264 /nfs/dbraw/zinc/22/22/64/386222264.db2.gz HXTVYRGNFIOGOU-ZDUSSCGKSA-N 2 0 247.342 0.969 50 0 BCAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC1 ZINC000069971646 388430945 /nfs/dbraw/zinc/43/09/45/388430945.db2.gz FBYUCHXRCOTVBS-UHFFFAOYSA-N 2 0 242.367 0.284 50 0 BCAARP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237841933 388595375 /nfs/dbraw/zinc/59/53/75/388595375.db2.gz PMPCCQOZJAZCHO-TUAOUCFPSA-N 2 0 239.363 0.844 50 0 BCAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236715185 388595937 /nfs/dbraw/zinc/59/59/37/388595937.db2.gz KLFUMUDNVRYOQQ-SRVKXCTJSA-N 2 0 241.379 0.911 50 0 BCAARP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000237638495 388595951 /nfs/dbraw/zinc/59/59/51/388595951.db2.gz VSQPINQJXBOIKE-QWRGUYRKSA-N 2 0 241.379 0.912 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])N1CCCc2ccccc21 ZINC000004628756 132316828 /nfs/dbraw/zinc/31/68/28/132316828.db2.gz ZYDMVANUHVFMHX-UHFFFAOYSA-N 2 0 217.276 0.857 50 0 BCAARP CC[NH+]1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000022212165 132332738 /nfs/dbraw/zinc/33/27/38/132332738.db2.gz NYCATFJBUBUPQP-UHFFFAOYSA-N 2 0 220.320 0.682 50 0 BCAARP CCOCCN(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309222914 170389822 /nfs/dbraw/zinc/38/98/22/170389822.db2.gz HACDACJFPXVURG-LBPRGKRZSA-N 2 0 232.368 0.656 50 0 BCAARP C[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000020130171 173088003 /nfs/dbraw/zinc/08/80/03/173088003.db2.gz HILINUGDTTXRNZ-UHFFFAOYSA-N 2 0 219.332 0.893 50 0 BCAARP C[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000079571481 173364992 /nfs/dbraw/zinc/36/49/92/173364992.db2.gz LYZFHGGHLJXNOG-CQSZACIVSA-N 2 0 234.343 0.668 50 0 BCAARP COc1cccc(C[NH2+]CCC[NH2+]CCO)c1 ZINC000013732691 175264504 /nfs/dbraw/zinc/26/45/04/175264504.db2.gz PGAXIPCBJGLWQM-UHFFFAOYSA-N 2 0 238.331 0.757 50 0 BCAARP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000247111567 176253620 /nfs/dbraw/zinc/25/36/20/176253620.db2.gz ZHASAPYCVOCJDP-WZRBSPASSA-N 2 0 247.342 0.895 50 0 BCAARP C[C@H]1C[NH2+]CCN1C(=O)c1ccc2nccn2c1 ZINC000178496422 177284176 /nfs/dbraw/zinc/28/41/76/177284176.db2.gz SGFOGPURTSBMLA-JTQLQIEISA-N 2 0 244.298 0.768 50 0 BCAARP C[NH2+]CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000261558323 536444494 /nfs/dbraw/zinc/44/44/94/536444494.db2.gz YCKGCPWYOSZDNJ-ATZCPNFKSA-N 2 0 213.325 0.099 50 0 BCAARP C[NH+](C)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC000068587467 536013217 /nfs/dbraw/zinc/01/32/17/536013217.db2.gz ZDLPDXMAMPKGEG-UHFFFAOYSA-N 2 0 220.320 0.553 50 0 BCAARP CCc1ccc(CCNC(C[NH3+])C[NH3+])cc1 ZINC000864097183 589344732 /nfs/dbraw/zinc/34/47/32/589344732.db2.gz QGQNBLASKVGEOR-UHFFFAOYSA-N 2 0 221.348 0.667 50 0 BCAARP CC(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000952963483 644446907 /nfs/dbraw/zinc/44/69/07/644446907.db2.gz KLWSJRLXODUWCM-GFCCVEGCSA-N 2 0 239.363 0.539 50 0 BCAARP [NH3+][C@@H](C1CCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528184 644805900 /nfs/dbraw/zinc/80/59/00/644805900.db2.gz NSBBGQBQNSMSSA-PSIUFMSWSA-N 2 0 210.321 0.759 50 0 BCAARP [NH3+][C@@H](c1ccc(F)cc1)C1(O)CC[NH2+]CC1 ZINC000958528105 644806158 /nfs/dbraw/zinc/80/61/58/644806158.db2.gz JPGHDLJAUJEEMJ-NSHDSACASA-N 2 0 224.279 0.940 50 0 BCAARP Cc1cc[n+](CC(O)C[n+]2ccc(C)cc2)cc1 ZINC000004427842 178309205 /nfs/dbraw/zinc/30/92/05/178309205.db2.gz OGHLXEQZCPXSDZ-UHFFFAOYSA-N 2 0 244.338 0.940 50 0 BCAARP [NH3+][C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000123527440 398338373 /nfs/dbraw/zinc/33/83/73/398338373.db2.gz TZBZWWGOFGVDLA-GMTAPVOTSA-N 2 0 223.320 0.173 50 0 BCAARP [NH3+][C@H](CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000022216017 343044356 /nfs/dbraw/zinc/04/43/56/343044356.db2.gz LFBCQARCHGMDKD-GFCCVEGCSA-N 2 0 233.315 0.508 50 0 BCAARP CC(C)C12CN3CC(C[N@H+](C1)CC3)[C@@H]2[NH3+] ZINC000022924036 343056890 /nfs/dbraw/zinc/05/68/90/343056890.db2.gz FMNCFSXIAQVQMA-CXQJBGSLSA-N 2 0 209.337 0.217 50 0 BCAARP CC(C)(C)OC(=O)N[C@@H]([NH3+])CCCC[NH3+] ZINC000040448710 343404220 /nfs/dbraw/zinc/40/42/20/343404220.db2.gz SNOFDVCLHHEEKV-MRVPVSSYSA-N 2 0 217.313 0.925 50 0 BCAARP C[NH+]1CCN([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC000601014753 350329551 /nfs/dbraw/zinc/32/95/51/350329551.db2.gz BDABZHDNXNUSBS-SDDRHHMPSA-N 2 0 209.337 0.232 50 0 BCAARP CN1CC[NH+]([C@@H]2CCC[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC000601014826 350329577 /nfs/dbraw/zinc/32/95/77/350329577.db2.gz VWADVWMZLXTKKY-RWMBFGLXSA-N 2 0 223.364 0.622 50 0 BCAARP CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000131858030 371698200 /nfs/dbraw/zinc/69/82/00/371698200.db2.gz CQOJPVCADITXAU-AEJSXWLSSA-N 2 0 213.325 0.323 50 0 BCAARP CCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000131858232 371698875 /nfs/dbraw/zinc/69/88/75/371698875.db2.gz CQOJPVCADITXAU-KXUCPTDWSA-N 2 0 213.325 0.323 50 0 BCAARP OCC[NH+]1CCC(C[NH2+]CC2CC2)CC1 ZINC000069594545 183071855 /nfs/dbraw/zinc/07/18/55/183071855.db2.gz ZEASAKSJOQKUAN-UHFFFAOYSA-N 2 0 212.337 0.690 50 0 BCAARP OCC[NH2+]CCC[NH2+]Cc1cccs1 ZINC000013732658 183078105 /nfs/dbraw/zinc/07/81/05/183078105.db2.gz FBJOJKSGYWUVGV-UHFFFAOYSA-N 2 0 214.334 0.810 50 0 BCAARP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000237055252 383827052 /nfs/dbraw/zinc/82/70/52/383827052.db2.gz DCQGXFSBCGURKL-ZDUSSCGKSA-N 2 0 247.342 0.921 50 0 BCAARP N[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000035676947 383866081 /nfs/dbraw/zinc/86/60/81/383866081.db2.gz AWRRWNAQBSTREU-GFCCVEGCSA-N 2 0 205.305 0.549 50 0 BCAARP CC(C)[C@H]([NH3+])c1nnc2n1CC[NH2+]CC2 ZINC000091657013 384135671 /nfs/dbraw/zinc/13/56/71/384135671.db2.gz ZGAYXWYNWCZLND-VIFPVBQESA-N 2 0 209.297 0.080 50 0 BCAARP CC[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000042783352 384243863 /nfs/dbraw/zinc/24/38/63/384243863.db2.gz VLGOCHMYGAESQC-LLVKDONJSA-N 2 0 200.326 0.690 50 0 BCAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000408522610 384286480 /nfs/dbraw/zinc/28/64/80/384286480.db2.gz KLFUMUDNVRYOQQ-UTUOFQBUSA-N 2 0 241.379 0.911 50 0 BCAARP [NH3+][C@H](CC(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000237923234 384432342 /nfs/dbraw/zinc/43/23/42/384432342.db2.gz NAOFQGNZHKRTGY-NWDGAFQWSA-N 2 0 233.315 0.636 50 0 BCAARP [NH3+]C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000238009827 384464133 /nfs/dbraw/zinc/46/41/33/384464133.db2.gz GZEVAUXQBOAQJY-VXGBXAGGSA-N 2 0 233.315 0.289 50 0 BCAARP C[NH+](C)CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019411360 384521647 /nfs/dbraw/zinc/52/16/47/384521647.db2.gz UXXAZGRXCSHFRB-JTQLQIEISA-N 2 0 213.325 0.196 50 0 BCAARP C[NH+](C)CCCNCc1cccc(C(N)=O)c1 ZINC000020054182 384570934 /nfs/dbraw/zinc/57/09/34/384570934.db2.gz COHBXXZDZVCKBZ-UHFFFAOYSA-N 2 0 235.331 0.827 50 0 BCAARP c1cncc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000022911713 384780546 /nfs/dbraw/zinc/78/05/46/384780546.db2.gz UJUAARGDLUVXPB-UHFFFAOYSA-N 2 0 220.320 0.076 50 0 in-vitro BCAARP [NH3+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061710126 385135833 /nfs/dbraw/zinc/13/58/33/385135833.db2.gz ZTYBAOXAMOFDGB-GFCCVEGCSA-N 2 0 206.289 0.712 50 0 BCAARP OC1CC[NH+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)CC1 ZINC000585672855 386701393 /nfs/dbraw/zinc/70/13/93/386701393.db2.gz JGGOQYVTRLQHMF-YUSALJHKSA-N 2 0 210.321 0.441 50 0 BCAARP [NH3+]Cc1ccccc1N1CC[NH+](CCO)CC1 ZINC000020266278 132330854 /nfs/dbraw/zinc/33/08/54/132330854.db2.gz QARRFTCVMFNVJQ-UHFFFAOYSA-N 2 0 235.331 0.260 50 0 BCAARP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000262502560 135303124 /nfs/dbraw/zinc/30/31/24/135303124.db2.gz HSXYBKICBUEFDJ-XCBNKYQSSA-N 2 0 222.292 0.976 50 0 BCAARP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ncn1 ZINC000333744112 411648386 /nfs/dbraw/zinc/64/83/86/411648386.db2.gz WITPBALMVDQRGW-TXEJJXNPSA-N 2 0 248.330 1.060 50 0 BCAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH2+]CC1 ZINC000006023067 172422548 /nfs/dbraw/zinc/42/25/48/172422548.db2.gz AECMKSPLRHDZLD-UHFFFAOYSA-N 2 0 241.379 0.690 50 0 BCAARP C[NH+]1CCN(C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000022204725 173085003 /nfs/dbraw/zinc/08/50/03/173085003.db2.gz IZISZCRXNZKANJ-LBPRGKRZSA-N 2 0 211.353 0.766 50 0 BCAARP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237104665 173369141 /nfs/dbraw/zinc/36/91/41/173369141.db2.gz NIEOQMZMVQIPTP-UTUOFQBUSA-N 2 0 239.363 0.714 50 0 BCAARP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237283490 173373057 /nfs/dbraw/zinc/37/30/57/173373057.db2.gz NQYOOXYXXDVPQV-SDDRHHMPSA-N 2 0 241.379 0.783 50 0 BCAARP COCC[NH2+][C@@H]1CCC[N@H+](CCOC)CC1 ZINC000095931420 174338858 /nfs/dbraw/zinc/33/88/58/174338858.db2.gz DGHHNXBFABNTIG-GFCCVEGCSA-N 2 0 230.352 0.723 50 0 BCAARP COCC[NH2+][C@H]1CCC[N@H+](CCOC)CC1 ZINC000095931421 174340458 /nfs/dbraw/zinc/34/04/58/174340458.db2.gz DGHHNXBFABNTIG-LBPRGKRZSA-N 2 0 230.352 0.723 50 0 BCAARP COc1ccc(OC)c(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000000528815 322810033 /nfs/dbraw/zinc/81/00/33/322810033.db2.gz CQZWWPQYTPYYAE-UHFFFAOYSA-N 2 0 237.263 0.534 50 0 BCAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000091393443 488049087 /nfs/dbraw/zinc/04/90/87/488049087.db2.gz NGKBELMUOIEWDR-WOPDTQHZSA-N 2 0 239.363 0.666 50 0 BCAARP C[NH+]1CCN(c2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000011805421 536422383 /nfs/dbraw/zinc/42/23/83/536422383.db2.gz FABLCCIDAWVYJD-UHFFFAOYSA-N 2 0 248.330 0.336 50 0 BCAARP CC[N@@H+]1CCC[C@@](O)(CN2CC[NH+]=C2C)C1 ZINC000046087884 583151171 /nfs/dbraw/zinc/15/11/71/583151171.db2.gz MJTCWRPZDHRSQU-LBPRGKRZSA-N 2 0 225.336 0.567 50 0 BCAARP C[C@@H]1CCC[N@H+](CCOC[C@@H](O)C[NH3+])C1 ZINC000023549961 632939953 /nfs/dbraw/zinc/93/99/53/632939953.db2.gz FQKAROJRRBUIIL-MNOVXSKESA-N 2 0 216.325 0.055 50 0 BCAARP CC(C)(C)C[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528934 644805065 /nfs/dbraw/zinc/80/50/65/644805065.db2.gz YXDSMMGIYOMRFF-SECBINFHSA-N 2 0 200.326 0.864 50 0 BCAARP [NH3+]C[C@@H]1C[N@H+](CCO)C[C@H]1c1ccccc1 ZINC000304214281 644877185 /nfs/dbraw/zinc/87/71/85/644877185.db2.gz FXNMJNVOPFROQO-OLZOCXBDSA-N 2 0 220.316 0.653 50 0 BCAARP COc1cc(CNC(C[NH3+])C[NH3+])ccc1C ZINC000710060841 712243390 /nfs/dbraw/zinc/24/33/90/712243390.db2.gz FBKCADPNHWLMSW-UHFFFAOYSA-N 2 0 223.320 0.379 50 0 BCAARP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262670403 259302499 /nfs/dbraw/zinc/30/24/99/259302499.db2.gz NQYOOXYXXDVPQV-TUAOUCFPSA-N 2 0 241.379 0.783 50 0 BCAARP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000082645541 398277236 /nfs/dbraw/zinc/27/72/36/398277236.db2.gz YARCZUYRMJKTCN-NXEZZACHSA-N 2 0 200.326 0.817 50 0 BCAARP C[C@@H](C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000022916969 343056508 /nfs/dbraw/zinc/05/65/08/343056508.db2.gz DXKLBRRTHOEFKE-NSHDSACASA-N 2 0 211.353 0.622 50 0 BCAARP CN1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC000038342466 343374332 /nfs/dbraw/zinc/37/43/32/343374332.db2.gz HDSNCQNEOQFXRT-UHFFFAOYSA-N 2 0 225.380 0.966 50 0 BCAARP CN1CCC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000241161371 344116650 /nfs/dbraw/zinc/11/66/50/344116650.db2.gz KAICCYOQWGMHAV-RYUDHWBXSA-N 2 0 249.362 0.609 50 0 BCAARP Cn1cc(-c2ccc(C(N)=[NH2+])cc2)[n+](C)c1 ZINC000000387342 344878281 /nfs/dbraw/zinc/87/82/81/344878281.db2.gz BNMRWWNDVCCDCS-UHFFFAOYSA-N 2 0 215.280 0.801 50 0 BCAARP N=C(NC(N)=[NH2+])Nc1cc(-c2cccs2)[nH]n1 ZINC000020459061 181188106 /nfs/dbraw/zinc/18/81/06/181188106.db2.gz CIZJPNLQPWQTLG-UHFFFAOYSA-N 2 0 249.303 0.968 50 0 BCAARP CC(C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)[C@@H]2O ZINC000242648555 358947295 /nfs/dbraw/zinc/94/72/95/358947295.db2.gz QZMMHOCDNJVLGY-XYYAHUGASA-N 2 0 226.364 0.935 50 0 BCAARP CSCC[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000040458968 373278863 /nfs/dbraw/zinc/27/88/63/373278863.db2.gz XKGHKKAIBYMLDW-JTQLQIEISA-N 2 0 245.392 0.231 50 0 BCAARP OCC[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000042783340 183073595 /nfs/dbraw/zinc/07/35/95/183073595.db2.gz MKQGXQRZYKEDAL-CYBMUJFWSA-N 2 0 241.379 0.129 50 0 BCAARP OCC[NH2+]CCC[NH2+]Cc1ccc(F)cc1 ZINC000013732661 183078076 /nfs/dbraw/zinc/07/80/76/183078076.db2.gz WVJLUTRSAHUPMT-UHFFFAOYSA-N 2 0 226.295 0.887 50 0 BCAARP CCC[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000019483659 169202554 /nfs/dbraw/zinc/20/25/54/169202554.db2.gz IGQFJFFJSHSLDL-UHFFFAOYSA-N 2 0 211.353 0.766 50 0 BCAARP N[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000035676946 383867286 /nfs/dbraw/zinc/86/72/86/383867286.db2.gz AWRRWNAQBSTREU-LBPRGKRZSA-N 2 0 205.305 0.549 50 0 BCAARP C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000001704444 383925525 /nfs/dbraw/zinc/92/55/25/383925525.db2.gz ZJDJWFAAXUDHKN-LBPRGKRZSA-N 2 0 235.331 0.234 50 0 BCAARP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000011961721 384304691 /nfs/dbraw/zinc/30/46/91/384304691.db2.gz SZVUYBCNMYTWJB-ZDUSSCGKSA-N 2 0 249.358 0.624 50 0 BCAARP C[NH2+][C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000097019432 384282656 /nfs/dbraw/zinc/28/26/56/384282656.db2.gz IKFSFDXXVHFMMN-SNVBAGLBSA-N 2 0 225.336 0.326 50 0 BCAARP [NH3+]C[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019358914 384516676 /nfs/dbraw/zinc/51/66/76/384516676.db2.gz IEXWPHQRTDZXHB-CQSZACIVSA-N 2 0 249.358 0.124 50 0 BCAARP C[NH+](C)C[C@@H]1CN(Cc2ccncc2)C[C@H]1[NH3+] ZINC000169676841 385417273 /nfs/dbraw/zinc/41/72/73/385417273.db2.gz HVGWFOOTPCTJCH-CHWSQXEVSA-N 2 0 234.347 0.402 50 0 BCAARP CCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000246217668 388440042 /nfs/dbraw/zinc/44/00/42/388440042.db2.gz CQOJPVCADITXAU-GUBZILKMSA-N 2 0 213.325 0.323 50 0 BCAARP C[NH+]1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000012505262 132321346 /nfs/dbraw/zinc/32/13/46/132321346.db2.gz LEEMWOGHWCDUKR-UHFFFAOYSA-N 2 0 206.293 0.292 50 0 BCAARP C[NH+]1CCN(c2ccc(CC[NH3+])cc2)CC1 ZINC000020269612 132330992 /nfs/dbraw/zinc/33/09/92/132330992.db2.gz GCXULHNMOGHFFJ-UHFFFAOYSA-N 2 0 219.332 0.940 50 0 BCAARP C[NH+](C)CCCOC[C@@H]1CCC[NH2+]C1 ZINC000012138189 172444481 /nfs/dbraw/zinc/44/44/81/172444481.db2.gz TXWXWFRONXTRTO-LLVKDONJSA-N 2 0 200.326 0.954 50 0 BCAARP C[NH+]1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000035731276 173081635 /nfs/dbraw/zinc/08/16/35/173081635.db2.gz OEXXAFLGTMXEKM-CQSZACIVSA-N 2 0 233.359 0.976 50 0 BCAARP C[NH+]1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000019260273 173084945 /nfs/dbraw/zinc/08/49/45/173084945.db2.gz UXNGEVJNOQJIJW-ZDUSSCGKSA-N 2 0 219.332 0.934 50 0 BCAARP Cn1cccc1[C@@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000019771711 173094039 /nfs/dbraw/zinc/09/40/39/173094039.db2.gz BJWWHKRWVXKIDI-GFCCVEGCSA-N 2 0 222.336 0.272 50 0 BCAARP CN1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCC1=O ZINC000087647408 173186777 /nfs/dbraw/zinc/18/67/77/173186777.db2.gz UHJJZEOOQIQQMR-QWRGUYRKSA-N 2 0 225.336 0.196 50 0 BCAARP C[NH2+]CCCN(C)CCC[N@H+](C)CCC[NH2+]C ZINC000001569420 173346430 /nfs/dbraw/zinc/34/64/30/173346430.db2.gz XRTKMBBIDHUQNP-UHFFFAOYSA-N 3 0 244.427 0.459 50 0 BCAARP COCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069697986 174275263 /nfs/dbraw/zinc/27/52/63/174275263.db2.gz FSJSXHDOGDOZNB-LBPRGKRZSA-N 2 0 244.379 0.657 50 0 BCAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+](C)C ZINC000022593494 176278642 /nfs/dbraw/zinc/27/86/42/176278642.db2.gz KXVDQAXQVMYJPY-UTUOFQBUSA-N 2 0 213.369 0.866 50 0 BCAARP C[C@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000237607701 177217837 /nfs/dbraw/zinc/21/78/37/177217837.db2.gz QHUCDTDLKXRTNK-WCQYABFASA-N 2 0 247.342 0.897 50 0 BCAARP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000125713307 177282912 /nfs/dbraw/zinc/28/29/12/177282912.db2.gz LIRXGISLLWERAY-AAEUAGOBSA-N 2 0 247.342 0.897 50 0 BCAARP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000178408852 522090295 /nfs/dbraw/zinc/09/02/95/522090295.db2.gz MRTBXDJMMIKFIP-DGCLKSJQSA-N 2 0 247.342 0.754 50 0 BCAARP [NH3+][C@@H](c1nccs1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528706 635551830 /nfs/dbraw/zinc/55/18/30/635551830.db2.gz ZREAADQMVMJNDS-ZDFLMOLOSA-N 2 0 239.344 0.788 50 0 BCAARP CC(C)OC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528630 635552217 /nfs/dbraw/zinc/55/22/17/635552217.db2.gz XQXZUXZREOZTNX-FXJUQPSGSA-N 2 0 242.363 0.726 50 0 BCAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCCOC1)C2 ZINC000426419978 635712268 /nfs/dbraw/zinc/71/22/68/635712268.db2.gz KSPIBRZGBBNPKW-WHOHXGKFSA-N 2 0 210.321 0.835 50 0 BCAARP CC[NH+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000019685407 342953643 /nfs/dbraw/zinc/95/36/43/342953643.db2.gz ICFFULBRJVGLQA-UHFFFAOYSA-N 2 0 213.325 0.150 50 0 BCAARP C[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000020126748 342970755 /nfs/dbraw/zinc/97/07/55/342970755.db2.gz QVTJRYACYCRZMX-UHFFFAOYSA-N 2 0 211.353 0.766 50 0 BCAARP C[C@H](C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000022916973 343056488 /nfs/dbraw/zinc/05/64/88/343056488.db2.gz DXKLBRRTHOEFKE-LLVKDONJSA-N 2 0 211.353 0.622 50 0 BCAARP CC(C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)C2O ZINC000024540826 343073348 /nfs/dbraw/zinc/07/33/48/343073348.db2.gz QZMMHOCDNJVLGY-YHWZYXNKSA-N 2 0 226.364 0.935 50 0 BCAARP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155000452 344103960 /nfs/dbraw/zinc/10/39/60/344103960.db2.gz RAPJGLQMLDMTEY-ZJUUUORDSA-N 2 0 213.325 0.180 50 0 BCAARP CC(C)(C)OC(=O)N1CCC([NH2+]CCN)CC1 ZINC000037712836 350287002 /nfs/dbraw/zinc/28/70/02/350287002.db2.gz CYMYKNBDMVQCDU-UHFFFAOYSA-N 2 0 243.351 0.934 50 0 BCAARP CC1(C)C[C@@]2(CCO1)CN(CC[NH3+])CC[NH2+]2 ZINC000020411878 188176241 /nfs/dbraw/zinc/17/62/41/188176241.db2.gz PQNAXMCCNDZEGB-LBPRGKRZSA-N 2 0 227.352 0.178 50 0 BCAARP CC(=O)N1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000038041378 188177124 /nfs/dbraw/zinc/17/71/24/188177124.db2.gz KEQZLLXGUSWPCD-UHFFFAOYSA-N 2 0 225.336 0.339 50 0 BCAARP NC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000057591605 181222600 /nfs/dbraw/zinc/22/26/00/181222600.db2.gz MTOWYXKSWMGULQ-UHFFFAOYSA-N 2 0 239.363 0.670 50 0 BCAARP CC[N@@H+]1C[C@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@H]1C(C)C ZINC000675050889 538473233 /nfs/dbraw/zinc/47/32/33/538473233.db2.gz YQYLOAXJUMYLJH-DDHJBXDOSA-N 2 0 212.337 0.815 50 0 BCAARP CC[NH+](CC)Cc1ncn2c1C[NH2+]CC2 ZINC000238253357 360761556 /nfs/dbraw/zinc/76/15/56/360761556.db2.gz BFAJCDDEMLLGDF-UHFFFAOYSA-N 2 0 208.309 0.828 50 0 BCAARP C1[NH2+]CC1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000169781801 361097458 /nfs/dbraw/zinc/09/74/58/361097458.db2.gz HZOMKVVIMVUETQ-LLVKDONJSA-N 2 0 209.337 0.280 50 0 BCAARP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH2+]CC2 ZINC000169676863 183126909 /nfs/dbraw/zinc/12/69/09/183126909.db2.gz PPGKBCHXMFKWIR-NSHDSACASA-N 2 0 224.348 0.833 50 0 BCAARP CCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112453 169201313 /nfs/dbraw/zinc/20/13/13/169201313.db2.gz UDJYROVNZNATCW-NSHDSACASA-N 2 0 225.336 0.150 50 0 BCAARP c1ccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000054931569 183399603 /nfs/dbraw/zinc/39/96/03/183399603.db2.gz MQBXXKJUWZTXRF-UHFFFAOYSA-N 2 0 231.343 0.776 50 0 BCAARP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(N)[nH+]1 ZINC000114202327 384026985 /nfs/dbraw/zinc/02/69/85/384026985.db2.gz AZBCGUPNGHWKDL-SSDOTTSWSA-N 2 0 207.281 0.159 50 0 BCAARP C1CSCC[NH2+]CCSCC[NH2+]1 ZINC000039410302 384113182 /nfs/dbraw/zinc/11/31/82/384113182.db2.gz HCUKRKWSSNYTJJ-UHFFFAOYSA-N 2 0 206.380 0.646 50 0 BCAARP CC(C)([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071752391 384176678 /nfs/dbraw/zinc/17/66/78/384176678.db2.gz XAIRRJQXIQCZSA-UHFFFAOYSA-N 2 0 239.363 0.716 50 0 BCAARP COc1cccc(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000015921975 384445328 /nfs/dbraw/zinc/44/53/28/384445328.db2.gz SJFWTWHMHDOKLE-UHFFFAOYSA-N 2 0 207.237 0.525 50 0 BCAARP CC[NH+](CC)C[C@@]1(O)CCC[NH2+]CC1 ZINC000096669771 384471457 /nfs/dbraw/zinc/47/14/57/384471457.db2.gz NVVWYLKZZBTOAY-LLVKDONJSA-N 2 0 200.326 0.833 50 0 BCAARP C[NH+](C)CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000019411362 384522092 /nfs/dbraw/zinc/52/20/92/384522092.db2.gz UXXAZGRXCSHFRB-SNVBAGLBSA-N 2 0 213.325 0.196 50 0 BCAARP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186489940 385765930 /nfs/dbraw/zinc/76/59/30/385765930.db2.gz SKHPZOYRDLXMTA-DTWKUNHWSA-N 2 0 211.309 0.077 50 0 BCAARP C1C[C@@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CS1 ZINC000534585944 386645662 /nfs/dbraw/zinc/64/56/62/386645662.db2.gz XBEJWLRNMYSPON-LLVKDONJSA-N 2 0 242.388 0.946 50 0 BCAARP C[C@@H]1CO[C@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000088099000 386823392 /nfs/dbraw/zinc/82/33/92/386823392.db2.gz PPSQOHNEORNGRQ-PWSUYJOCSA-N 2 0 228.336 0.068 50 0 BCAARP O=C(C1C[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000169789113 387864659 /nfs/dbraw/zinc/86/46/59/387864659.db2.gz UNOVKPBHRDIFCM-NSHDSACASA-N 2 0 237.347 0.054 50 0 BCAARP C[C@@H](CS(C)(=O)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000081900944 388013484 /nfs/dbraw/zinc/01/34/84/388013484.db2.gz CIUVQZDANLKDNO-JTQLQIEISA-N 2 0 248.392 0.351 50 0 BCAARP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000237586058 388595443 /nfs/dbraw/zinc/59/54/43/388595443.db2.gz RVEFRBQVHMUWCM-IJLUTSLNSA-N 2 0 239.363 0.537 50 0 BCAARP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000237582710 388595535 /nfs/dbraw/zinc/59/55/35/388595535.db2.gz VSQPINQJXBOIKE-WDEREUQCSA-N 2 0 241.379 0.912 50 0 BCAARP C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H]1C[NH3+] ZINC000299739673 388843761 /nfs/dbraw/zinc/84/37/61/388843761.db2.gz RFIOUKDGPQTLCG-SCVCMEIPSA-N 2 0 243.326 0.274 50 0 BCAARP [NH3+]Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000220345155 398110244 /nfs/dbraw/zinc/11/02/44/398110244.db2.gz HAJVQPSDGACAQK-KNVOCYPGSA-N 2 0 207.281 0.276 50 0 BCAARP CC(C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)C2O ZINC000008765366 167035076 /nfs/dbraw/zinc/03/50/76/167035076.db2.gz SRWIIWJAYHBKFC-YOGCLGLASA-N 2 0 212.337 0.687 50 0 BCAARP CCOC(=O)c1cccc(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000001017822 170298483 /nfs/dbraw/zinc/29/84/83/170298483.db2.gz NYJGJFBBMAMSMD-UHFFFAOYSA-N 2 0 249.274 0.693 50 0 BCAARP C[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000021951304 173087383 /nfs/dbraw/zinc/08/73/83/173087383.db2.gz HMWCORSELDZBCN-UHFFFAOYSA-N 2 0 219.332 0.893 50 0 BCAARP C[NH+]1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000022170144 173094499 /nfs/dbraw/zinc/09/44/99/173094499.db2.gz WZXAOQYQMPUAPD-LLVKDONJSA-N 2 0 225.361 0.995 50 0 BCAARP CN1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000087647404 173186705 /nfs/dbraw/zinc/18/67/05/173186705.db2.gz UHJJZEOOQIQQMR-MNOVXSKESA-N 2 0 225.336 0.196 50 0 BCAARP CO[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)OC ZINC000005958001 174723589 /nfs/dbraw/zinc/72/35/89/174723589.db2.gz VYQCQNCBTMHEFI-AOOOYVTPSA-N 2 0 204.314 0.140 50 0 BCAARP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC000247111556 177222330 /nfs/dbraw/zinc/22/23/30/177222330.db2.gz ZHASAPYCVOCJDP-LOWVWBTDSA-N 2 0 247.342 0.895 50 0 BCAARP CN(C)C(=O)CN(C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000670457936 487510533 /nfs/dbraw/zinc/51/05/33/487510533.db2.gz MYAWYNCDTBHBLF-LLVKDONJSA-N 2 0 241.379 0.737 50 0 BCAARP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000299738498 136209462 /nfs/dbraw/zinc/20/94/62/136209462.db2.gz BOBZJKLQDLNNEF-SDDRHHMPSA-N 2 0 241.379 0.912 50 0 BCAARP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000299738497 136209569 /nfs/dbraw/zinc/20/95/69/136209569.db2.gz BOBZJKLQDLNNEF-GRYCIOLGSA-N 2 0 241.379 0.912 50 0 BCAARP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262670401 259302564 /nfs/dbraw/zinc/30/25/64/259302564.db2.gz NQYOOXYXXDVPQV-QJPTWQEYSA-N 2 0 241.379 0.783 50 0 BCAARP CC[NH+]1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000019431315 342948697 /nfs/dbraw/zinc/94/86/97/342948697.db2.gz KPOITPSEWNVZHS-GFCCVEGCSA-N 2 0 211.353 0.766 50 0 BCAARP CN(C(=O)C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000019412094 342948081 /nfs/dbraw/zinc/94/80/81/342948081.db2.gz AYCREYAYPSLJPZ-UHFFFAOYSA-N 2 0 239.363 0.539 50 0 BCAARP COc1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000000553580 188100035 /nfs/dbraw/zinc/10/00/35/188100035.db2.gz FKFRZIDBWCMAJU-UHFFFAOYSA-N 2 0 207.237 0.525 50 0 BCAARP NC(=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000004200705 181188503 /nfs/dbraw/zinc/18/85/03/181188503.db2.gz CKOKVPNIGJRPFK-UHFFFAOYSA-N 2 0 210.325 0.830 50 0 BCAARP NC(=[NH2+])SCCC(=O)CCSC(N)=[NH2+] ZINC000004613508 181192262 /nfs/dbraw/zinc/19/22/62/181192262.db2.gz SSIAJGZNDJPFBB-UHFFFAOYSA-N 2 0 234.350 0.589 50 0 BCAARP C1CC[NH+]([C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC000237992829 356382236 /nfs/dbraw/zinc/38/22/36/356382236.db2.gz BXMDDHIEMVBOIW-LLVKDONJSA-N 2 0 210.321 0.993 50 0 BCAARP [NH3+]C1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000051694780 181341708 /nfs/dbraw/zinc/34/17/08/181341708.db2.gz AFQWSFGFXALJHC-UHFFFAOYSA-N 2 0 225.336 0.372 50 0 BCAARP [NH3+]CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037028199 181368506 /nfs/dbraw/zinc/36/85/06/181368506.db2.gz MDOMMIYICKRGNI-ZDUSSCGKSA-N 2 0 247.342 0.726 50 0 BCAARP CCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC000019688610 169186368 /nfs/dbraw/zinc/18/63/68/169186368.db2.gz NCQDPXYZMXSVPM-UHFFFAOYSA-N 2 0 211.353 0.766 50 0 BCAARP C[N@H+](CCCNC(N)=[NH2+])Cc1ccccc1 ZINC000050165482 383946095 /nfs/dbraw/zinc/94/60/95/383946095.db2.gz HSRGXFCRSODGBX-UHFFFAOYSA-N 2 0 220.320 0.992 50 0 BCAARP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000408513595 384264708 /nfs/dbraw/zinc/26/47/08/384264708.db2.gz RVEFRBQVHMUWCM-GRYCIOLGSA-N 2 0 239.363 0.537 50 0 BCAARP CC(C)C[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000011960914 384305174 /nfs/dbraw/zinc/30/51/74/384305174.db2.gz DASSCNBCNOVUIY-VIFPVBQESA-N 2 0 201.314 0.038 50 0 BCAARP [NH3+][C@@H](CC(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000237923347 384433247 /nfs/dbraw/zinc/43/32/47/384433247.db2.gz NAOFQGNZHKRTGY-RYUDHWBXSA-N 2 0 233.315 0.636 50 0 BCAARP CC(C)[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000019519678 384529354 /nfs/dbraw/zinc/52/93/54/384529354.db2.gz YMLYSLSDMGAVGT-SECBINFHSA-N 2 0 201.314 0.038 50 0 BCAARP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000170786908 384699546 /nfs/dbraw/zinc/69/95/46/384699546.db2.gz HIKSTEKPTOBHFW-LBPRGKRZSA-N 2 0 233.315 0.709 50 0 BCAARP C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000083960770 384756213 /nfs/dbraw/zinc/75/62/13/384756213.db2.gz YTTFKFYJUULWDI-LLVKDONJSA-N 2 0 239.363 0.811 50 0 BCAARP C1C[C@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CS1 ZINC000534585947 386645807 /nfs/dbraw/zinc/64/58/07/386645807.db2.gz XBEJWLRNMYSPON-NSHDSACASA-N 2 0 242.388 0.946 50 0 BCAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000250355432 388174519 /nfs/dbraw/zinc/17/45/19/388174519.db2.gz NGKBELMUOIEWDR-GRYCIOLGSA-N 2 0 239.363 0.666 50 0 BCAARP CC(C)C12CN3CC(C[N@H+](C1)CC3)[C@H]2[NH3+] ZINC000245204243 388413917 /nfs/dbraw/zinc/41/39/17/388413917.db2.gz FMNCFSXIAQVQMA-MOENNCHZSA-N 2 0 209.337 0.217 50 0 BCAARP CCOCC[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069595807 388421442 /nfs/dbraw/zinc/42/14/42/388421442.db2.gz WZMAFGOJYRBPPU-GFCCVEGCSA-N 2 0 244.379 0.705 50 0 BCAARP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000238047274 388596083 /nfs/dbraw/zinc/59/60/83/388596083.db2.gz IXDROOQMQALGLV-GFCCVEGCSA-N 2 0 233.315 0.709 50 0 BCAARP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000237378245 388596097 /nfs/dbraw/zinc/59/60/97/388596097.db2.gz VSQPINQJXBOIKE-GHMZBOCLSA-N 2 0 241.379 0.912 50 0 BCAARP C[NH+]1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000020357686 132331508 /nfs/dbraw/zinc/33/15/08/132331508.db2.gz DARIODHSSYWTII-UHFFFAOYSA-N 2 0 206.293 0.292 50 0 BCAARP CC[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000002485203 170121754 /nfs/dbraw/zinc/12/17/54/170121754.db2.gz AGYHCMWTZRGOOK-NSHDSACASA-N 2 0 200.326 0.689 50 0 BCAARP CN1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000087647402 173194613 /nfs/dbraw/zinc/19/46/13/173194613.db2.gz UHJJZEOOQIQQMR-GHMZBOCLSA-N 2 0 225.336 0.196 50 0 BCAARP C[NH2+][C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000097019434 173463333 /nfs/dbraw/zinc/46/33/33/173463333.db2.gz IKFSFDXXVHFMMN-JTQLQIEISA-N 2 0 225.336 0.326 50 0 BCAARP COC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044514352 173551161 /nfs/dbraw/zinc/55/11/61/173551161.db2.gz CCBBQBMFGVDQIA-UHFFFAOYSA-N 2 0 200.282 0.220 50 0 BCAARP COCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000069484132 174304972 /nfs/dbraw/zinc/30/49/72/174304972.db2.gz HEEARYQSPAIIIN-UHFFFAOYSA-N 2 0 200.326 0.906 50 0 BCAARP C[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000237683013 177091351 /nfs/dbraw/zinc/09/13/51/177091351.db2.gz OBDGJZQUPAEQCX-CMPLNLGQSA-N 2 0 239.363 0.572 50 0 BCAARP C[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC000237629513 177224045 /nfs/dbraw/zinc/22/40/45/177224045.db2.gz FATLYVGVRGULFA-WCQYABFASA-N 2 0 247.342 0.549 50 0 BCAARP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000237528725 177325773 /nfs/dbraw/zinc/32/57/73/177325773.db2.gz AXKMUMQEDFZDRL-SRVKXCTJSA-N 2 0 239.363 0.680 50 0 BCAARP CC[NH+]1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000022172573 535743373 /nfs/dbraw/zinc/74/33/73/535743373.db2.gz RVIFLPFRMQLWBE-UHFFFAOYSA-N 2 0 220.320 0.682 50 0 BCAARP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000299739326 536456567 /nfs/dbraw/zinc/45/65/67/536456567.db2.gz NIEOQMZMVQIPTP-WOPDTQHZSA-N 2 0 239.363 0.714 50 0 BCAARP [NH3+][C@@H](CC1CC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528602 635552294 /nfs/dbraw/zinc/55/22/94/635552294.db2.gz WENXAVKKRSEYJE-PSIUFMSWSA-N 2 0 210.321 0.759 50 0 BCAARP CCn1cnc([C@H]([NH3+])C2(O)CC[NH2+]CC2)c1 ZINC000958527732 644804914 /nfs/dbraw/zinc/80/49/14/644804914.db2.gz FYODRJJSSDGHKF-JTQLQIEISA-N 2 0 224.308 0.017 50 0 BCAARP [NH3+][C@@H](c1ccsc1)C1(O)CC[NH2+]CC1 ZINC000958527995 644805751 /nfs/dbraw/zinc/80/57/51/644805751.db2.gz LKZRPEUENXRFIJ-VIFPVBQESA-N 2 0 212.318 0.862 50 0 BCAARP [NH3+][C@@H](CCC(F)(F)F)C1(O)CC[NH2+]CC1 ZINC000958528862 644807825 /nfs/dbraw/zinc/80/78/25/644807825.db2.gz XDTVJHGXMIXLAG-ZETCQYMHSA-N 2 0 226.242 0.771 50 0 BCAARP C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000253393495 398279085 /nfs/dbraw/zinc/27/90/85/398279085.db2.gz CSZXXLCYMFLAEA-HBNTYKKESA-N 2 0 225.336 0.337 50 0 BCAARP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000237465508 136272252 /nfs/dbraw/zinc/27/22/52/136272252.db2.gz VSQPINQJXBOIKE-MNOVXSKESA-N 2 0 241.379 0.912 50 0 BCAARP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH2+]CC2)C1 ZINC000068587369 191002462 /nfs/dbraw/zinc/00/24/62/191002462.db2.gz ALTPGGUBKWRYOA-LBPRGKRZSA-N 2 0 227.352 0.001 50 0 BCAARP CN1CC[NH+]([C@@H]2CCC[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC000601014825 350329627 /nfs/dbraw/zinc/32/96/27/350329627.db2.gz VWADVWMZLXTKKY-JHJVBQTASA-N 2 0 223.364 0.622 50 0 BCAARP C[NH+]1CCN(Cc2ncn3c2C[NH2+]CCC3)CC1 ZINC000601013387 350329737 /nfs/dbraw/zinc/32/97/37/350329737.db2.gz PWTTZSVEURLRHE-UHFFFAOYSA-N 2 0 249.362 0.124 50 0 BCAARP CC(=O)N(C(=N)NC(N)=[NH2+])c1ccccc1 ZINC000006022427 188096583 /nfs/dbraw/zinc/09/65/83/188096583.db2.gz LUNDKNSBYDDIPI-UHFFFAOYSA-N 2 0 219.248 0.457 50 0 BCAARP [NH3+]CC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000097228874 181363640 /nfs/dbraw/zinc/36/36/40/181363640.db2.gz AHGGYHLLVVCUTB-UHFFFAOYSA-N 2 0 239.363 0.703 50 0 BCAARP [NH3+]CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000041664763 181394684 /nfs/dbraw/zinc/39/46/84/181394684.db2.gz VOOCFFNRHUDOSE-SNVBAGLBSA-N 2 0 207.277 0.151 50 0 BCAARP OC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000042783337 183028751 /nfs/dbraw/zinc/02/87/51/183028751.db2.gz FCHGHCBSSOAYAT-NSHDSACASA-N 2 0 212.337 0.975 50 0 BCAARP OCC[NH+]1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000069368956 183072520 /nfs/dbraw/zinc/07/25/20/183072520.db2.gz UUTUJDPJUDXVMN-UHFFFAOYSA-N 2 0 249.358 0.876 50 0 BCAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236762160 169190815 /nfs/dbraw/zinc/19/08/15/169190815.db2.gz XBUBPKXXIIBNLT-NEPJUHHUSA-N 2 0 239.363 0.811 50 0 BCAARP [NH3+]CC[C@@H]1CCC[N@H+](CCCCO)C1 ZINC000069626573 384052907 /nfs/dbraw/zinc/05/29/07/384052907.db2.gz FUOWQOZLXUDRMJ-NSHDSACASA-N 2 0 200.326 0.820 50 0 BCAARP CC(C)[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC000019688612 384532252 /nfs/dbraw/zinc/53/22/52/384532252.db2.gz JCAHFZWKTGBWBZ-UHFFFAOYSA-N 2 0 211.353 0.764 50 0 BCAARP CC1(C)CC([NH2+]CCC(N)=O)CC(C)(C)[NH2+]1 ZINC000085207972 384928747 /nfs/dbraw/zinc/92/87/47/384928747.db2.gz AJBCWPUPQMRABB-UHFFFAOYSA-N 2 0 227.352 0.761 50 0 BCAARP [NH3+][C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000152173453 384987737 /nfs/dbraw/zinc/98/77/37/384987737.db2.gz IMUGRNUWWIGKJY-QWHCGFSZSA-N 2 0 247.342 0.945 50 0 BCAARP C[C@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCCC1 ZINC000062072523 385039112 /nfs/dbraw/zinc/03/91/12/385039112.db2.gz PZKQQPQEQQUPAJ-SNVBAGLBSA-N 2 0 224.352 0.995 50 0 BCAARP C[NH+](C)C[C@@H](C[NH3+])[C@H](O)c1ccccc1 ZINC000032627089 385174870 /nfs/dbraw/zinc/17/48/70/385174870.db2.gz CJOOTINYVCEDFO-VXGBXAGGSA-N 2 0 208.305 0.857 50 0 BCAARP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186489921 385766337 /nfs/dbraw/zinc/76/63/37/385766337.db2.gz SKHPZOYRDLXMTA-IUCAKERBSA-N 2 0 211.309 0.077 50 0 BCAARP C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000133146677 386277332 /nfs/dbraw/zinc/27/73/32/386277332.db2.gz FIDAGHVSRRJNQM-RYUDHWBXSA-N 2 0 239.363 0.681 50 0 BCAARP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237839006 388595190 /nfs/dbraw/zinc/59/51/90/388595190.db2.gz PMPCCQOZJAZCHO-UTUOFQBUSA-N 2 0 239.363 0.844 50 0 BCAARP CC(C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)[C@H]2O ZINC000100789013 167035206 /nfs/dbraw/zinc/03/52/06/167035206.db2.gz SRWIIWJAYHBKFC-ZSBIGDGJSA-N 2 0 212.337 0.687 50 0 BCAARP C[NH+](C)CCCNC(=O)NCCC[NH+](C)C ZINC000005957664 172438037 /nfs/dbraw/zinc/43/80/37/172438037.db2.gz FCQPNTOQFPJCMF-UHFFFAOYSA-N 2 0 230.356 0.189 50 0 BCAARP CN1CCC[N@H+](C)CCN(C)CCC[NH2+]CC1 ZINC000022036175 173013658 /nfs/dbraw/zinc/01/36/58/173013658.db2.gz NWTDWQBLYRISDC-UHFFFAOYSA-N 2 0 242.411 0.165 50 0 BCAARP CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000020593519 173079382 /nfs/dbraw/zinc/07/93/82/173079382.db2.gz BREHWAOTQHCZJW-UHFFFAOYSA-N 2 0 211.353 0.624 50 0 BCAARP C[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019260270 173084975 /nfs/dbraw/zinc/08/49/75/173084975.db2.gz UXNGEVJNOQJIJW-CYBMUJFWSA-N 2 0 219.332 0.934 50 0 BCAARP C[NH+]1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000022170142 173092497 /nfs/dbraw/zinc/09/24/97/173092497.db2.gz WZXAOQYQMPUAPD-NSHDSACASA-N 2 0 225.361 0.995 50 0 BCAARP C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000097000911 173366986 /nfs/dbraw/zinc/36/69/86/173366986.db2.gz AWXMFYHJNHEGGJ-NSHDSACASA-N 2 0 239.363 0.716 50 0 BCAARP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237284094 173373745 /nfs/dbraw/zinc/37/37/45/173373745.db2.gz NQYOOXYXXDVPQV-SRVKXCTJSA-N 2 0 241.379 0.783 50 0 BCAARP COc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732696 175106813 /nfs/dbraw/zinc/10/68/13/175106813.db2.gz VGHNQJWBGZSJNT-UHFFFAOYSA-N 2 0 238.331 0.757 50 0 BCAARP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000162270006 176253540 /nfs/dbraw/zinc/25/35/40/176253540.db2.gz IDJXHUARJVTCDM-RKDXNWHRSA-N 2 0 213.325 0.180 50 0 BCAARP C[C@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000004976022 176974863 /nfs/dbraw/zinc/97/48/63/176974863.db2.gz NWDRKFORNVPWLY-ZDUSSCGKSA-N 2 0 245.411 0.573 50 0 BCAARP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000125713530 177282480 /nfs/dbraw/zinc/28/24/80/177282480.db2.gz LIRXGISLLWERAY-WCQYABFASA-N 2 0 247.342 0.897 50 0 BCAARP [NH3+][C@H](c1ccsc1)C1(O)CC[NH2+]CC1 ZINC000958527993 644806291 /nfs/dbraw/zinc/80/62/91/644806291.db2.gz LKZRPEUENXRFIJ-SECBINFHSA-N 2 0 212.318 0.862 50 0 BCAARP COc1cncc([C@@H]([NH3+])C2(O)CC[NH2+]CC2)c1 ZINC000958528313 644808201 /nfs/dbraw/zinc/80/82/01/644808201.db2.gz MJLSQRHXDQZNNI-LLVKDONJSA-N 2 0 237.303 0.205 50 0 BCAARP COc1cncc([C@H]([NH3+])C2(O)CC[NH2+]CC2)c1 ZINC000958528314 644808232 /nfs/dbraw/zinc/80/82/32/644808232.db2.gz MJLSQRHXDQZNNI-NSHDSACASA-N 2 0 237.303 0.205 50 0 BCAARP CN1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000397617401 711387837 /nfs/dbraw/zinc/38/78/37/711387837.db2.gz USWWLRMANXBSAH-UHFFFAOYSA-N 2 0 241.379 0.127 50 0 BCAARP CN1CCC([NH+]2CCC(C[NH3+])CC2)CC1 ZINC000016941892 342917574 /nfs/dbraw/zinc/91/75/74/342917574.db2.gz ADFNFTLPQOJDDG-UHFFFAOYSA-N 2 0 211.353 0.751 50 0 BCAARP C[N@H+](C[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000042783440 343452809 /nfs/dbraw/zinc/45/28/09/343452809.db2.gz PTCSZHYLJBMPBR-GFCCVEGCSA-N 2 0 212.337 0.954 50 0 BCAARP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000155000562 344103979 /nfs/dbraw/zinc/10/39/79/344103979.db2.gz RAPJGLQMLDMTEY-UWVGGRQHSA-N 2 0 213.325 0.180 50 0 BCAARP C(CN1CCOCC1)OC[C@H]1CCC[NH2+]C1 ZINC000014631139 188106278 /nfs/dbraw/zinc/10/62/78/188106278.db2.gz JDCBFNYTAJMBJF-LBPRGKRZSA-N 2 0 228.336 0.335 50 0 BCAARP CC[N@@H+]1C[C@@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@@H]1C(C)C ZINC000675050892 538473195 /nfs/dbraw/zinc/47/31/95/538473195.db2.gz YQYLOAXJUMYLJH-WYUUTHIRSA-N 2 0 212.337 0.815 50 0 BCAARP C[NH+](C)C1(CNC(=O)[C@H]2CC[NH2+]2)CCCCC1 ZINC000384767838 367728232 /nfs/dbraw/zinc/72/82/32/367728232.db2.gz FBFWHOWPUIDDIJ-LLVKDONJSA-N 2 0 239.363 0.729 50 0 BCAARP Cc1c[nH]c(CN2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)n1 ZINC000584889749 369037661 /nfs/dbraw/zinc/03/76/61/369037661.db2.gz RZHOQMZFEYZNNY-CNDDSTCGSA-N 2 0 234.347 0.958 50 0 BCAARP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000253425060 169157657 /nfs/dbraw/zinc/15/76/57/169157657.db2.gz AMQIVKZLFGCTTO-WDEREUQCSA-N 2 0 245.342 0.487 50 0 BCAARP C[NH+](C)CCCNC(=O)C1CC[NH2+]CC1 ZINC000002828179 383989132 /nfs/dbraw/zinc/98/91/32/383989132.db2.gz IYOJOIMVFKLABR-UHFFFAOYSA-N 2 0 213.325 0.054 50 0 BCAARP Cc1nc(CC[NH3+])cc(N(C)[C@@H]2CC[N@H+](C)C2)n1 ZINC000067696826 383938574 /nfs/dbraw/zinc/93/85/74/383938574.db2.gz GUWFNBCTAPXHPS-GFCCVEGCSA-N 2 0 249.362 0.427 50 0 BCAARP CC[N@H+](CCO)CC[C@H]1CCCC[NH2+]1 ZINC000042783332 384243945 /nfs/dbraw/zinc/24/39/45/384243945.db2.gz MZAZIKMBTLVGEH-LLVKDONJSA-N 2 0 200.326 0.833 50 0 BCAARP C[NH+](C)CCN(CCC[NH3+])Cc1ccco1 ZINC000020500649 384620720 /nfs/dbraw/zinc/62/07/20/384620720.db2.gz XHGWEJJXEAWEJF-UHFFFAOYSA-N 2 0 225.336 0.992 50 0 BCAARP CSCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000077558674 384702713 /nfs/dbraw/zinc/70/27/13/384702713.db2.gz XKGHKKAIBYMLDW-SNVBAGLBSA-N 2 0 245.392 0.231 50 0 BCAARP C[C@@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCCC1 ZINC000062072521 385036558 /nfs/dbraw/zinc/03/65/58/385036558.db2.gz PZKQQPQEQQUPAJ-JTQLQIEISA-N 2 0 224.352 0.995 50 0 BCAARP CN(CC(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000132682533 386249297 /nfs/dbraw/zinc/24/92/97/386249297.db2.gz NBBNERYGHUWIED-CYBMUJFWSA-N 2 0 247.342 0.678 50 0 BCAARP Cn1cc(CN2CCC(c3c[nH]cn3)CC2)nn1 ZINC000328674046 386607260 /nfs/dbraw/zinc/60/72/60/386607260.db2.gz PQWSGPYWDHSLOH-UHFFFAOYSA-N 2 0 246.318 0.918 50 0 BCAARP [NH3+][C@@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000332488741 386985524 /nfs/dbraw/zinc/98/55/24/386985524.db2.gz RIVOFDOTGJEVEY-OUAUKWLOSA-N 2 0 225.336 0.500 50 0 BCAARP [NH3+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000037037823 132343264 /nfs/dbraw/zinc/34/32/64/132343264.db2.gz SPDPAWCDGSUUKN-UHFFFAOYSA-N 2 0 220.320 0.552 50 0 BCAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000262534992 135304912 /nfs/dbraw/zinc/30/49/12/135304912.db2.gz MOCDDCITQZVHIV-NWDGAFQWSA-N 2 0 239.363 0.668 50 0 BCAARP CC(C)NC(=O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908693 167060549 /nfs/dbraw/zinc/06/05/49/167060549.db2.gz GWLXLAFXLCCXJS-GRYCIOLGSA-N 2 0 241.379 0.829 50 0 BCAARP C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127418979 173042213 /nfs/dbraw/zinc/04/22/13/173042213.db2.gz GRGSUYAPHRHMFV-SNVBAGLBSA-N 2 0 248.330 0.735 50 0 BCAARP C[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000019517854 173077825 /nfs/dbraw/zinc/07/78/25/173077825.db2.gz JVUTULSYUBFRCR-UHFFFAOYSA-N 2 0 211.353 0.895 50 0 BCAARP CN1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000020230873 173089359 /nfs/dbraw/zinc/08/93/59/173089359.db2.gz OKGWICVOLZFMPE-UHFFFAOYSA-N 2 0 219.332 0.893 50 0 BCAARP C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000037267484 173323033 /nfs/dbraw/zinc/32/30/33/173323033.db2.gz VWGYBRUABNUUGR-UHFFFAOYSA-N 2 0 211.353 0.764 50 0 BCAARP COc1ccc(CCN(C)C(=[NH2+])NC(N)=[NH2+])cc1 ZINC000000487454 175089457 /nfs/dbraw/zinc/08/94/57/175089457.db2.gz OVXBOODSJPMGOC-UHFFFAOYSA-N 2 0 249.318 0.587 50 0 BCAARP C[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000188365538 176248010 /nfs/dbraw/zinc/24/80/10/176248010.db2.gz QHUCDTDLKXRTNK-YPMHNXCESA-N 2 0 247.342 0.897 50 0 BCAARP C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000162270112 177222202 /nfs/dbraw/zinc/22/22/02/177222202.db2.gz IDJXHUARJVTCDM-DTWKUNHWSA-N 2 0 213.325 0.180 50 0 BCAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000091393441 488049044 /nfs/dbraw/zinc/04/90/44/488049044.db2.gz NGKBELMUOIEWDR-UTUOFQBUSA-N 2 0 239.363 0.666 50 0 BCAARP CC[NH+](CC)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000156625531 520572023 /nfs/dbraw/zinc/57/20/23/520572023.db2.gz GOFDOIVRDIUUKJ-NWDGAFQWSA-N 2 0 241.379 0.914 50 0 BCAARP [NH3+][C@H](c1nccs1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528705 635552282 /nfs/dbraw/zinc/55/22/82/635552282.db2.gz ZREAADQMVMJNDS-OCKNEMTGSA-N 2 0 239.344 0.788 50 0 BCAARP CC(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]2)CC1 ZINC000952963490 644447130 /nfs/dbraw/zinc/44/71/30/644447130.db2.gz KLWSJRLXODUWCM-LBPRGKRZSA-N 2 0 239.363 0.539 50 0 BCAARP CC(C)(C)C[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528935 644804801 /nfs/dbraw/zinc/80/48/01/644804801.db2.gz YXDSMMGIYOMRFF-VIFPVBQESA-N 2 0 200.326 0.864 50 0 BCAARP CC1(C)C=C(N2CC[NH2+]CC2)CC(C)(C)[NH2+]1 ZINC000053653431 710916683 /nfs/dbraw/zinc/91/66/83/710916683.db2.gz GQFUNGCFNFJULQ-UHFFFAOYSA-N 2 0 223.364 0.798 50 0 BCAARP Cc1cc(N(C)CC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000069484236 178098767 /nfs/dbraw/zinc/09/87/67/178098767.db2.gz PVEJQXKZFZEZQS-UHFFFAOYSA-N 2 0 235.335 0.899 50 0 BCAARP COc1ccccc1NC(=[NH2+])NC(N)=[NH2+] ZINC000000089337 342673661 /nfs/dbraw/zinc/67/36/61/342673661.db2.gz QYLVXKQJMSWUHI-UHFFFAOYSA-N 2 0 207.237 0.525 50 0 BCAARP C[NH+]1CCC(N2CCC[C@H](C[NH3+])C2)CC1 ZINC000016941919 342917564 /nfs/dbraw/zinc/91/75/64/342917564.db2.gz LODVSWZYZLJVKJ-LLVKDONJSA-N 2 0 211.353 0.751 50 0 BCAARP CC[NH+]1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000019431313 342948588 /nfs/dbraw/zinc/94/85/88/342948588.db2.gz KPOITPSEWNVZHS-LBPRGKRZSA-N 2 0 211.353 0.766 50 0 BCAARP COC(=O)C1CC[NH+](CCCC[NH3+])CC1 ZINC000032628015 343238766 /nfs/dbraw/zinc/23/87/66/343238766.db2.gz MGQGMNHVLWJVBU-UHFFFAOYSA-N 2 0 214.309 0.610 50 0 BCAARP C[NH2+]C1CC(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000585136803 344148461 /nfs/dbraw/zinc/14/84/61/344148461.db2.gz SVZJKSJXNFKJMY-XIVSLSHWSA-N 2 0 237.347 0.196 50 0 BCAARP OCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000075906092 191006082 /nfs/dbraw/zinc/00/60/82/191006082.db2.gz XVUJUUBAYSPSGZ-RYUDHWBXSA-N 2 0 212.337 0.833 50 0 BCAARP C(CN1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000020270250 188108579 /nfs/dbraw/zinc/10/85/79/188108579.db2.gz BUNQOMWDCRZFPU-UHFFFAOYSA-N 2 0 211.353 0.768 50 0 BCAARP NC(=[NH2+])N1CC[NH+](C2CCCCC2)CC1 ZINC000002599548 181187499 /nfs/dbraw/zinc/18/74/99/181187499.db2.gz VCKUQRWORMYCJO-UHFFFAOYSA-N 2 0 210.325 0.830 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(F)c(F)c1 ZINC000005607976 181187615 /nfs/dbraw/zinc/18/76/15/181187615.db2.gz AXSBGAYSJRAQJL-UHFFFAOYSA-N 2 0 213.191 0.795 50 0 BCAARP NC(=O)C1([NH2+]C2CCCCC2)CC[NH2+]CC1 ZINC000017355273 181214147 /nfs/dbraw/zinc/21/41/47/181214147.db2.gz IUPNXQPHGAGYNA-UHFFFAOYSA-N 2 0 225.336 0.516 50 0 BCAARP [NH3+]CCC[N@H+](CCO)Cc1ccccc1 ZINC000050514248 358733135 /nfs/dbraw/zinc/73/31/35/358733135.db2.gz YEXULHAPWRKOJK-UHFFFAOYSA-N 2 0 208.305 0.830 50 0 BCAARP [NH3+]CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037028200 181368662 /nfs/dbraw/zinc/36/86/62/181368662.db2.gz MDOMMIYICKRGNI-CYBMUJFWSA-N 2 0 247.342 0.726 50 0 BCAARP [NH3+]CCCOCCCCOCCC[NH3+] ZINC000001669426 181383288 /nfs/dbraw/zinc/38/32/88/181383288.db2.gz YOOSAIJKYCBPFW-UHFFFAOYSA-N 2 0 204.314 0.497 50 0 BCAARP C[NH+](C)C1(CNC(=O)[C@@H]2CC[NH2+]2)CCCCC1 ZINC000384767847 541515890 /nfs/dbraw/zinc/51/58/90/541515890.db2.gz FBFWHOWPUIDDIJ-NSHDSACASA-N 2 0 239.363 0.729 50 0 BCAARP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000019255953 181488376 /nfs/dbraw/zinc/48/83/76/181488376.db2.gz CJOCAKIMIJTCFQ-CYBMUJFWSA-N 2 0 247.342 0.843 50 0 BCAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000019686040 182185133 /nfs/dbraw/zinc/18/51/33/182185133.db2.gz XFTKBPXAACQTLN-LLVKDONJSA-N 2 0 225.336 0.198 50 0 BCAARP OC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC000042783338 183029821 /nfs/dbraw/zinc/02/98/21/183029821.db2.gz FCHGHCBSSOAYAT-LLVKDONJSA-N 2 0 212.337 0.975 50 0 BCAARP OCC[NH2+]CCC[NH2+]Cc1ccccc1 ZINC000013732647 183078090 /nfs/dbraw/zinc/07/80/90/183078090.db2.gz XEBXJMDVHIFEGB-UHFFFAOYSA-N 2 0 208.305 0.748 50 0 BCAARP O[C@H](C[NH2+]CCc1cccnc1)C[NH+]1CCCC1 ZINC000037894755 183223835 /nfs/dbraw/zinc/22/38/35/183223835.db2.gz PFVJQRKHURAXOL-CQSZACIVSA-N 2 0 249.358 0.670 50 0 BCAARP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000035663376 383865959 /nfs/dbraw/zinc/86/59/59/383865959.db2.gz HVAVQLWKPQTNKM-UHFFFAOYSA-N 2 0 247.342 0.971 50 0 BCAARP Cc1nc(CC[NH3+])cc(NCC[NH+]2CCCC2)n1 ZINC000067881289 383956177 /nfs/dbraw/zinc/95/61/77/383956177.db2.gz LZZQQLUUSBTIQC-UHFFFAOYSA-N 2 0 249.362 0.794 50 0 BCAARP CC[N@H+](CCO)CCC1CC[NH2+]CC1 ZINC000042783392 384244264 /nfs/dbraw/zinc/24/42/64/384244264.db2.gz VRYGDHPQHHCNFU-UHFFFAOYSA-N 2 0 200.326 0.690 50 0 BCAARP [NH3+]C[C@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000237797531 384388951 /nfs/dbraw/zinc/38/89/51/384388951.db2.gz GZEVAUXQBOAQJY-RYUDHWBXSA-N 2 0 233.315 0.289 50 0 BCAARP Cc1nc(N2CCN(C)CC2)cc(N)[nH+]1 ZINC000078828585 384467814 /nfs/dbraw/zinc/46/78/14/384467814.db2.gz VDBXWJPTBXGDLG-UHFFFAOYSA-N 2 0 207.281 0.119 50 0 BCAARP COc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000019702535 384535730 /nfs/dbraw/zinc/53/57/30/384535730.db2.gz HAQHVAVMAGEESU-AWEZNQCLSA-N 2 0 249.358 0.942 50 0 BCAARP Cc1nc(N2CC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000206579495 384994546 /nfs/dbraw/zinc/99/45/46/384994546.db2.gz KODFYXCRTASRSC-UHFFFAOYSA-N 2 0 247.346 0.795 50 0 BCAARP C[NH+](C)C[C@H](C[NH3+])[C@@H](O)c1ccccc1 ZINC000032627087 385174627 /nfs/dbraw/zinc/17/46/27/385174627.db2.gz CJOOTINYVCEDFO-RYUDHWBXSA-N 2 0 208.305 0.857 50 0 BCAARP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000157413021 385499925 /nfs/dbraw/zinc/49/99/25/385499925.db2.gz FKLSNHGEHORQKB-SNVBAGLBSA-N 2 0 239.319 0.517 50 0 BCAARP C[NH+](C)C1CC[NH+](CC2(O)CCC2)CC1 ZINC000336470899 387300273 /nfs/dbraw/zinc/30/02/73/387300273.db2.gz GFEUXJASORMCLO-UHFFFAOYSA-N 2 0 212.337 0.927 50 0 BCAARP CCNc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000087831171 388684407 /nfs/dbraw/zinc/68/44/07/388684407.db2.gz HWJGTVWAHIHFPC-UHFFFAOYSA-N 2 0 221.308 0.626 50 0 BCAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000262534996 135304668 /nfs/dbraw/zinc/30/46/68/135304668.db2.gz MOCDDCITQZVHIV-VXGBXAGGSA-N 2 0 239.363 0.668 50 0 BCAARP CCOC(=O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000043827410 170257825 /nfs/dbraw/zinc/25/78/25/170257825.db2.gz BCDSXCKZQZRAQI-SNVBAGLBSA-N 2 0 214.309 0.610 50 0 BCAARP CCOC(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000043827413 170280202 /nfs/dbraw/zinc/28/02/02/170280202.db2.gz BCDSXCKZQZRAQI-JTQLQIEISA-N 2 0 214.309 0.610 50 0 BCAARP CN1CCC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000058289837 173046491 /nfs/dbraw/zinc/04/64/91/173046491.db2.gz KAICCYOQWGMHAV-NEPJUHHUSA-N 2 0 249.362 0.609 50 0 BCAARP CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000042783361 173082168 /nfs/dbraw/zinc/08/21/68/173082168.db2.gz RELIXAUPLVUEIQ-LBPRGKRZSA-N 2 0 211.353 0.624 50 0 BCAARP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237112562 173369380 /nfs/dbraw/zinc/36/93/80/173369380.db2.gz NIEOQMZMVQIPTP-TUAOUCFPSA-N 2 0 239.363 0.714 50 0 BCAARP COc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000019702533 175178564 /nfs/dbraw/zinc/17/85/64/175178564.db2.gz HAQHVAVMAGEESU-CQSZACIVSA-N 2 0 249.358 0.942 50 0 BCAARP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC000188395821 176253713 /nfs/dbraw/zinc/25/37/13/176253713.db2.gz FATLYVGVRGULFA-YPMHNXCESA-N 2 0 247.342 0.549 50 0 BCAARP Cc1nncn1CC[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534675235 323158838 /nfs/dbraw/zinc/15/88/38/323158838.db2.gz NKQKRGIESWPBFS-MPZDIEGVSA-N 2 0 247.346 0.269 50 0 BCAARP CN(C)C(=O)CN(C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000670457937 487510343 /nfs/dbraw/zinc/51/03/43/487510343.db2.gz MYAWYNCDTBHBLF-NSHDSACASA-N 2 0 241.379 0.737 50 0 BCAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000152387258 519848187 /nfs/dbraw/zinc/84/81/87/519848187.db2.gz XBUBPKXXIIBNLT-NWDGAFQWSA-N 2 0 239.363 0.811 50 0 BCAARP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000299739325 536457422 /nfs/dbraw/zinc/45/74/22/536457422.db2.gz NIEOQMZMVQIPTP-SRVKXCTJSA-N 2 0 239.363 0.714 50 0 BCAARP C[C@H](C[N@H+](C)CCO)NC1(C)CC[NH2+]CC1 ZINC000426503918 635726558 /nfs/dbraw/zinc/72/65/58/635726558.db2.gz CWFNVUPIFUJDRT-LLVKDONJSA-N 2 0 229.368 0.031 50 0 BCAARP C[C@H]1CCC[N@H+](CCOC[C@@H](O)C[NH3+])C1 ZINC000023549962 632939260 /nfs/dbraw/zinc/93/92/60/632939260.db2.gz FQKAROJRRBUIIL-QWRGUYRKSA-N 2 0 216.325 0.055 50 0 BCAARP CCn1cnc([C@@H]([NH3+])C2(O)CC[NH2+]CC2)c1 ZINC000958527733 644805203 /nfs/dbraw/zinc/80/52/03/644805203.db2.gz FYODRJJSSDGHKF-SNVBAGLBSA-N 2 0 224.308 0.017 50 0 BCAARP CC(C)OC[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528562 644808188 /nfs/dbraw/zinc/80/81/88/644808188.db2.gz UXGAFRYFCYQGNT-FBTJUVTCSA-N 2 0 228.336 0.384 50 0 BCAARP CC[NH+](CC)CCNC(=O)C1CC[NH2+]CC1 ZINC000005708402 342768923 /nfs/dbraw/zinc/76/89/23/342768923.db2.gz LPYIZQWNSFQJCK-UHFFFAOYSA-N 2 0 227.352 0.444 50 0 BCAARP C[NH+]1CCC(N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000016941913 342917449 /nfs/dbraw/zinc/91/74/49/342917449.db2.gz LODVSWZYZLJVKJ-NSHDSACASA-N 2 0 211.353 0.751 50 0 BCAARP C[C@H](C[NH2+]CCNCCO)c1ccccc1 ZINC000020477690 342986604 /nfs/dbraw/zinc/98/66/04/342986604.db2.gz GQTIGIZZCJOHDO-GFCCVEGCSA-N 2 0 222.332 0.962 50 0 BCAARP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000021952247 343029764 /nfs/dbraw/zinc/02/97/64/343029764.db2.gz BYWOQNBPMOCDDE-LBPRGKRZSA-N 2 0 239.363 0.587 50 0 BCAARP COc1ccc(CCCNC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000004947536 343273475 /nfs/dbraw/zinc/27/34/75/343273475.db2.gz JQCYFUGTMMBOGZ-UHFFFAOYSA-N 2 0 249.318 0.635 50 0 BCAARP CCN(C(=[NH2+])NC(N)=[NH2+])c1ccccc1 ZINC000013153429 346933482 /nfs/dbraw/zinc/93/34/82/346933482.db2.gz KZZXOYFLVCIWCW-UHFFFAOYSA-N 2 0 205.265 0.931 50 0 BCAARP C[N@H+](C[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000042783441 343452784 /nfs/dbraw/zinc/45/27/84/343452784.db2.gz PTCSZHYLJBMPBR-LBPRGKRZSA-N 2 0 212.337 0.954 50 0 BCAARP C[NH2+]C1CC(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000585136802 344148591 /nfs/dbraw/zinc/14/85/91/344148591.db2.gz SVZJKSJXNFKJMY-GCZXYKMCSA-N 2 0 237.347 0.196 50 0 BCAARP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000095996129 345686855 /nfs/dbraw/zinc/68/68/55/345686855.db2.gz VHJJPNASEMNHHG-LBPRGKRZSA-N 2 0 241.379 0.912 50 0 BCAARP [NH3+][C@H]1[C@H](O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000601012366 350328969 /nfs/dbraw/zinc/32/89/69/350328969.db2.gz BVXZDLTZJLZLFA-WUHRBBMRSA-N 2 0 218.300 0.579 50 0 BCAARP C[NH+]1CCN([C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000601014750 350329727 /nfs/dbraw/zinc/32/97/27/350329727.db2.gz BDABZHDNXNUSBS-GRYCIOLGSA-N 2 0 209.337 0.232 50 0 BCAARP CC(C)[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000086703481 188144312 /nfs/dbraw/zinc/14/43/12/188144312.db2.gz VATBPAJDUCPXNA-UHFFFAOYSA-N 2 0 200.326 0.689 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])N1N=CC[C@@H]1c1ccccc1 ZINC000000118310 181187721 /nfs/dbraw/zinc/18/77/21/181187721.db2.gz SZZOILYQDCPXTM-SECBINFHSA-N 2 0 230.275 0.837 50 0 BCAARP CC[N@@H+]1C[C@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@@H]1C(C)C ZINC000675050891 538473202 /nfs/dbraw/zinc/47/32/02/538473202.db2.gz YQYLOAXJUMYLJH-WISYIIOYSA-N 2 0 212.337 0.815 50 0 BCAARP O=C(NCCC[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000021953010 182167455 /nfs/dbraw/zinc/16/74/55/182167455.db2.gz YTEIJXHUNFUXKW-UHFFFAOYSA-N 2 0 239.363 0.588 50 0 BCAARP OCC1(C[NH2+]C2CC[NH2+]CC2)CCCC1 ZINC000067725826 183035071 /nfs/dbraw/zinc/03/50/71/183035071.db2.gz MXBUYRPZMSAGPI-UHFFFAOYSA-N 2 0 212.337 0.881 50 0 BCAARP CC(C)C[C@H]([NH3+])c1nnc2n1CC[NH2+]CC2 ZINC000067973715 383962848 /nfs/dbraw/zinc/96/28/48/383962848.db2.gz ZQAYZYVVJMOYSX-VIFPVBQESA-N 2 0 223.324 0.470 50 0 BCAARP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000237585938 384294462 /nfs/dbraw/zinc/29/44/62/384294462.db2.gz AXKMUMQEDFZDRL-UTUOFQBUSA-N 2 0 239.363 0.680 50 0 BCAARP C[NH+](C)CCCC[C@H]([NH3+])c1ncnn1CCO ZINC000095371669 384370817 /nfs/dbraw/zinc/37/08/17/384370817.db2.gz WCPLCVYFHBIOOJ-JTQLQIEISA-N 2 0 241.339 0.002 50 0 BCAARP [NH3+][C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000152173530 384985875 /nfs/dbraw/zinc/98/58/75/384985875.db2.gz IMUGRNUWWIGKJY-STQMWFEESA-N 2 0 247.342 0.945 50 0 BCAARP OCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000108523326 385050435 /nfs/dbraw/zinc/05/04/35/385050435.db2.gz XVUJUUBAYSPSGZ-VXGBXAGGSA-N 2 0 212.337 0.833 50 0 BCAARP [NH3+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000061710125 385136548 /nfs/dbraw/zinc/13/65/48/385136548.db2.gz ZTYBAOXAMOFDGB-LBPRGKRZSA-N 2 0 206.289 0.712 50 0 BCAARP c1ncc(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)cn1 ZINC000065405975 385307054 /nfs/dbraw/zinc/30/70/54/385307054.db2.gz MQPVREHDSGPZRP-NEPJUHHUSA-N 2 0 218.304 0.803 50 0 BCAARP O=C(C1CC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065452682 385312633 /nfs/dbraw/zinc/31/26/33/385312633.db2.gz MULJMIBWZXVHGO-NEPJUHHUSA-N 2 0 237.347 0.339 50 0 BCAARP C1CC2(CC[NH2+]CC2)[C@H]1[NH+]1CCOCC1 ZINC000169676574 385416880 /nfs/dbraw/zinc/41/68/80/385416880.db2.gz ATXFCKCEPLUCTG-NSHDSACASA-N 2 0 210.321 0.851 50 0 BCAARP Nc1ccncc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128138610 385957934 /nfs/dbraw/zinc/95/79/34/385957934.db2.gz RTKQVJQBKGVHHM-SNVBAGLBSA-N 2 0 246.314 0.584 50 0 BCAARP OC1CC[NH+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC000585672856 386701797 /nfs/dbraw/zinc/70/17/97/386701797.db2.gz JGGOQYVTRLQHMF-ZMLRMANQSA-N 2 0 210.321 0.441 50 0 BCAARP [NH3+][C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000332488739 386986191 /nfs/dbraw/zinc/98/61/91/386986191.db2.gz RIVOFDOTGJEVEY-MXWKQRLJSA-N 2 0 225.336 0.500 50 0 BCAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000250355434 388174590 /nfs/dbraw/zinc/17/45/90/388174590.db2.gz NGKBELMUOIEWDR-IJLUTSLNSA-N 2 0 239.363 0.666 50 0 BCAARP O[C@@H](C[NH2+]CCc1cccnc1)C[NH+]1CCCC1 ZINC000037894754 388781039 /nfs/dbraw/zinc/78/10/39/388781039.db2.gz PFVJQRKHURAXOL-AWEZNQCLSA-N 2 0 249.358 0.670 50 0 BCAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000299747796 388845518 /nfs/dbraw/zinc/84/55/18/388845518.db2.gz FCIWVFIOEQIMSA-YFKTTZPYSA-N 2 0 239.363 0.842 50 0 BCAARP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000262502558 135303352 /nfs/dbraw/zinc/30/33/52/135303352.db2.gz HSXYBKICBUEFDJ-GMSGAONNSA-N 2 0 222.292 0.976 50 0 BCAARP C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000034754837 398014996 /nfs/dbraw/zinc/01/49/96/398014996.db2.gz HGELOQHEYZXOJS-ZDUSSCGKSA-N 2 0 247.342 0.379 50 0 BCAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299740101 398120462 /nfs/dbraw/zinc/12/04/62/398120462.db2.gz VQVZQRFITRIQMZ-NEPJUHHUSA-N 2 0 239.363 0.811 50 0 BCAARP C[NH+]1CCC2(CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000065374154 173002672 /nfs/dbraw/zinc/00/26/72/173002672.db2.gz UBRRGUZKADDIFR-UHFFFAOYSA-N 2 0 237.347 0.150 50 0 BCAARP CN1CC[NH+](CC2(C)CC[NH2+]CC2)CC1 ZINC000062841613 173079187 /nfs/dbraw/zinc/07/91/87/173079187.db2.gz KDXHYRMKXQQFNG-UHFFFAOYSA-N 2 0 211.353 0.624 50 0 BCAARP C[N@@H+]1CCN(CC[NH3+])[C@@H](c2ccccc2)C1 ZINC000019283112 173081593 /nfs/dbraw/zinc/08/15/93/173081593.db2.gz VQOQFWUXNDOQEN-CYBMUJFWSA-N 2 0 219.332 0.934 50 0 BCAARP C[NH+]1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000035731278 173085842 /nfs/dbraw/zinc/08/58/42/173085842.db2.gz OEXXAFLGTMXEKM-AWEZNQCLSA-N 2 0 233.359 0.976 50 0 BCAARP CN1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCC1=O ZINC000087647406 173195112 /nfs/dbraw/zinc/19/51/12/173195112.db2.gz UHJJZEOOQIQQMR-WDEREUQCSA-N 2 0 225.336 0.196 50 0 BCAARP COCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069697988 174275775 /nfs/dbraw/zinc/27/57/75/174275775.db2.gz FSJSXHDOGDOZNB-GFCCVEGCSA-N 2 0 244.379 0.657 50 0 BCAARP COCC[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069655167 174332709 /nfs/dbraw/zinc/33/27/09/174332709.db2.gz XXJWHQRFGDNLSS-NSHDSACASA-N 2 0 230.352 0.315 50 0 BCAARP CO[C@H](C[NH+](C)C)[C@@H](C[NH+](C)C)OC ZINC000002567992 174857068 /nfs/dbraw/zinc/85/70/68/174857068.db2.gz VYQCQNCBTMHEFI-NXEZZACHSA-N 2 0 204.314 0.140 50 0 BCAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH2+]CC1 ZINC000047843724 176199955 /nfs/dbraw/zinc/19/99/55/176199955.db2.gz YYSWLIJSBRAXMR-VXGBXAGGSA-N 2 0 211.353 0.764 50 0 BCAARP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nccn2c1 ZINC000178496408 176327045 /nfs/dbraw/zinc/32/70/45/176327045.db2.gz SGFOGPURTSBMLA-SNVBAGLBSA-N 2 0 244.298 0.768 50 0 BCAARP COCC[NH+](CCOC)[C@@H]1CCC[NH2+]CC1 ZINC000082666734 323237398 /nfs/dbraw/zinc/23/73/98/323237398.db2.gz SNCSDPHRKNLTMQ-GFCCVEGCSA-N 2 0 230.352 0.723 50 0 BCAARP CC[NH+](CC)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000156625294 520570419 /nfs/dbraw/zinc/57/04/19/520570419.db2.gz GOFDOIVRDIUUKJ-RYUDHWBXSA-N 2 0 241.379 0.914 50 0 BCAARP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000178408879 522090189 /nfs/dbraw/zinc/09/01/89/522090189.db2.gz MRTBXDJMMIKFIP-YPMHNXCESA-N 2 0 247.342 0.754 50 0 BCAARP [NH3+]C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000178322333 527222843 /nfs/dbraw/zinc/22/28/43/527222843.db2.gz YJUYBBRJJPVCNR-STQMWFEESA-N 2 0 247.342 0.679 50 0 BCAARP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000390832929 527350347 /nfs/dbraw/zinc/35/03/47/527350347.db2.gz GNNNIVKIUSQDHS-IJLUTSLNSA-N 2 0 239.363 0.762 50 0 BCAARP CC[NH+]1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000019505053 535742448 /nfs/dbraw/zinc/74/24/48/535742448.db2.gz QZUMXYVTOPXYCL-UHFFFAOYSA-N 2 0 233.319 0.508 50 0 BCAARP CC(C)[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958527610 635552028 /nfs/dbraw/zinc/55/20/28/635552028.db2.gz BBQZUDIASHIJMO-PSIUFMSWSA-N 2 0 212.337 0.957 50 0 BCAARP CC(C)[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958527609 635552230 /nfs/dbraw/zinc/55/22/30/635552230.db2.gz BBQZUDIASHIJMO-FBTJUVTCSA-N 2 0 212.337 0.957 50 0 BCAARP [NH3+][C@@H](c1nccs1)C1(O)CC[NH2+]CC1 ZINC000958528913 635553013 /nfs/dbraw/zinc/55/30/13/635553013.db2.gz YMAPUFRISSOLTF-ZETCQYMHSA-N 2 0 213.306 0.257 50 0 BCAARP [NH3+][C@@H](c1ccns1)C1(O)CC[NH2+]CC1 ZINC000958528205 644806518 /nfs/dbraw/zinc/80/65/18/644806518.db2.gz NXNHKFLQBQISMW-QMMMGPOBSA-N 2 0 213.306 0.257 50 0 BCAARP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000253393496 398279292 /nfs/dbraw/zinc/27/92/92/398279292.db2.gz CSZXXLCYMFLAEA-MXWKQRLJSA-N 2 0 225.336 0.337 50 0 BCAARP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C=CC[NH2+]1 ZINC000584904107 342737071 /nfs/dbraw/zinc/73/70/71/342737071.db2.gz WUIMKFVSYJGBQB-NSHDSACASA-N 2 0 237.347 0.505 50 0 BCAARP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000012357862 342849949 /nfs/dbraw/zinc/84/99/49/342849949.db2.gz OGTHBSXKVTXUMH-UHFFFAOYSA-N 2 0 208.309 0.591 50 0 BCAARP CC[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019636359 342952935 /nfs/dbraw/zinc/95/29/35/342952935.db2.gz GQEWCEQCFBCXAC-UHFFFAOYSA-N 2 0 241.379 0.081 50 0 BCAARP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843234 342959465 /nfs/dbraw/zinc/95/94/65/342959465.db2.gz HLSDBOMELIRZRY-UHFFFAOYSA-N 2 0 227.352 0.572 50 0 BCAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000021952245 343029924 /nfs/dbraw/zinc/02/99/24/343029924.db2.gz BYWOQNBPMOCDDE-GFCCVEGCSA-N 2 0 239.363 0.587 50 0 BCAARP C(C1CC1)[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000043501181 343475907 /nfs/dbraw/zinc/47/59/07/343475907.db2.gz GPGWBUYBPSBFGD-UHFFFAOYSA-N 2 0 223.364 0.766 50 0 BCAARP C[NH2+]Cc1ccc([C@H]2C[N@H+](C)C[C@H]2C(N)=O)cc1 ZINC000503944055 530007420 /nfs/dbraw/zinc/00/74/20/530007420.db2.gz MPWGXPVQBFYWMG-CHWSQXEVSA-N 2 0 247.342 0.537 50 0 BCAARP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218378438 350091567 /nfs/dbraw/zinc/09/15/67/350091567.db2.gz PSDSTZLFOHUDGH-VWYCJHECSA-N 2 0 225.336 0.324 50 0 BCAARP CN1CC[NH+]([C@@H]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000601014827 350329622 /nfs/dbraw/zinc/32/96/22/350329622.db2.gz VWADVWMZLXTKKY-YNEHKIRRSA-N 2 0 223.364 0.622 50 0 BCAARP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044806613 352657006 /nfs/dbraw/zinc/65/70/06/352657006.db2.gz PSDSTZLFOHUDGH-GMTAPVOTSA-N 2 0 225.336 0.324 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])NCCc1ccc(Cl)cc1 ZINC000148256219 181187744 /nfs/dbraw/zinc/18/77/44/181187744.db2.gz UWEJCNMMSCVUJR-UHFFFAOYSA-N 2 0 239.710 0.890 50 0 BCAARP NC(=[NH2+])c1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000019485029 181196132 /nfs/dbraw/zinc/19/61/32/181196132.db2.gz LDBFILKMCKUIER-UHFFFAOYSA-N 2 0 233.315 0.927 50 0 BCAARP C1[NH2+]CC1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000169781802 361097327 /nfs/dbraw/zinc/09/73/27/361097327.db2.gz HZOMKVVIMVUETQ-NSHDSACASA-N 2 0 209.337 0.280 50 0 BCAARP C[NH+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000035605655 383861523 /nfs/dbraw/zinc/86/15/23/383861523.db2.gz UIIZOCSFJOYWFM-UHFFFAOYSA-N 2 0 213.325 0.054 50 0 BCAARP Cc1nc(CC[NH3+])cc(N(C)[C@H]2CC[N@H+](C)C2)n1 ZINC000067696828 383939211 /nfs/dbraw/zinc/93/92/11/383939211.db2.gz GUWFNBCTAPXHPS-LBPRGKRZSA-N 2 0 249.362 0.427 50 0 BCAARP CC(C)[C@@H]([NH3+])c1nnc2n1CC[NH2+]CC2 ZINC000091657014 384135432 /nfs/dbraw/zinc/13/54/32/384135432.db2.gz ZGAYXWYNWCZLND-SECBINFHSA-N 2 0 209.297 0.080 50 0 BCAARP OCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072323943 384208443 /nfs/dbraw/zinc/20/84/43/384208443.db2.gz XVUJUUBAYSPSGZ-NWDGAFQWSA-N 2 0 212.337 0.833 50 0 BCAARP C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000133146527 384272831 /nfs/dbraw/zinc/27/28/31/384272831.db2.gz FIDAGHVSRRJNQM-NEPJUHHUSA-N 2 0 239.363 0.681 50 0 BCAARP C(CSC1=[NH+]CCN1)CSC1=[NH+]CCN1 ZINC000001566900 384402216 /nfs/dbraw/zinc/40/22/16/384402216.db2.gz WFHUPAOXCGQPQZ-UHFFFAOYSA-N 2 0 244.389 0.761 50 0 BCAARP C[NH+](C)CC(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019749196 384538800 /nfs/dbraw/zinc/53/88/00/384538800.db2.gz IGXMLLHPKGFYFY-JTQLQIEISA-N 2 0 213.325 0.196 50 0 BCAARP C[C@@H](C(=O)N1CCn2cncc2C1)[NH+]1CCCC1 ZINC000072169338 384794260 /nfs/dbraw/zinc/79/42/60/384794260.db2.gz PQFMDWBCLPDYTQ-NSHDSACASA-N 2 0 248.330 0.710 50 0 BCAARP O=C(C1C[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000169789112 387864600 /nfs/dbraw/zinc/86/46/00/387864600.db2.gz UNOVKPBHRDIFCM-LLVKDONJSA-N 2 0 237.347 0.054 50 0 BCAARP [NH3+][C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000163271655 388375082 /nfs/dbraw/zinc/37/50/82/388375082.db2.gz NAOFQGNZHKRTGY-NEPJUHHUSA-N 2 0 233.315 0.636 50 0 BCAARP [NH3+][C@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000163271537 388375187 /nfs/dbraw/zinc/37/51/87/388375187.db2.gz NAOFQGNZHKRTGY-VXGBXAGGSA-N 2 0 233.315 0.636 50 0 BCAARP CC[NH+](CC)CCN1CC[NH+](CCOC)CC1 ZINC000095442071 388771598 /nfs/dbraw/zinc/77/15/98/388771598.db2.gz ZCRMILRCDGJBEQ-UHFFFAOYSA-N 2 0 243.395 0.592 50 0 BCAARP C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000299739671 388844221 /nfs/dbraw/zinc/84/42/21/388844221.db2.gz RFIOUKDGPQTLCG-FOGDFJRCSA-N 2 0 243.326 0.274 50 0 BCAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000299747794 388845608 /nfs/dbraw/zinc/84/56/08/388845608.db2.gz FCIWVFIOEQIMSA-BJDJZHNGSA-N 2 0 239.363 0.842 50 0 BCAARP [NH3+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000011953288 132321171 /nfs/dbraw/zinc/32/11/71/132321171.db2.gz YDQAUSHJSHIVAD-UHFFFAOYSA-N 2 0 235.335 0.338 50 0 BCAARP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000237963981 134847576 /nfs/dbraw/zinc/84/75/76/134847576.db2.gz IXDROOQMQALGLV-LBPRGKRZSA-N 2 0 233.315 0.709 50 0 BCAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000261604938 135238071 /nfs/dbraw/zinc/23/80/71/135238071.db2.gz AXKMUMQEDFZDRL-GRYCIOLGSA-N 2 0 239.363 0.680 50 0 BCAARP [NH3+]Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])o1 ZINC000170048174 397966042 /nfs/dbraw/zinc/96/60/42/397966042.db2.gz AWFMQMYBBSORFF-VIFPVBQESA-N 2 0 237.303 0.692 50 0 BCAARP C[NH+](C)CCCN1C(=O)CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000122411503 172432658 /nfs/dbraw/zinc/43/26/58/172432658.db2.gz XWLLPMQRIPNLNX-NEPJUHHUSA-N 2 0 239.363 0.539 50 0 BCAARP COc1ccc([C@H]([NH3+])CN2CC[NH+](C)CC2)cc1 ZINC000023066654 175191781 /nfs/dbraw/zinc/19/17/81/175191781.db2.gz GIEDTLUQSFWSEZ-CQSZACIVSA-N 2 0 249.358 0.942 50 0 BCAARP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000124575504 176325276 /nfs/dbraw/zinc/32/52/76/176325276.db2.gz LIRXGISLLWERAY-DGCLKSJQSA-N 2 0 247.342 0.897 50 0 BCAARP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC000131856661 177223969 /nfs/dbraw/zinc/22/39/69/177223969.db2.gz ZHASAPYCVOCJDP-NTZNESFSSA-N 2 0 247.342 0.895 50 0 BCAARP [NH3+]C[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000178322320 527200366 /nfs/dbraw/zinc/20/03/66/527200366.db2.gz YJUYBBRJJPVCNR-QWHCGFSZSA-N 2 0 247.342 0.679 50 0 BCAARP CCC(CC)[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958527595 635551290 /nfs/dbraw/zinc/55/12/90/635551290.db2.gz ATTFGQUKTSZNQU-SNVBAGLBSA-N 2 0 200.326 0.864 50 0 BCAARP CC[NH+]1CCN(C2CC[NH+](C)CC2)CC1 ZINC000019637187 633790263 /nfs/dbraw/zinc/79/02/63/633790263.db2.gz SKIAXZWFVQFIDR-UHFFFAOYSA-N 2 0 211.353 0.718 50 0 BCAARP [NH3+][C@H](C1CCOCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527494 644805705 /nfs/dbraw/zinc/80/57/05/644805705.db2.gz AMAFNRHEFOFXSY-DAAZQVBGSA-N 2 0 240.347 0.386 50 0 BCAARP Cn1cncc1[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527679 644805941 /nfs/dbraw/zinc/80/59/41/644805941.db2.gz DHSTWTYTWWOBLQ-RVJXMIQCSA-N 2 0 236.319 0.065 50 0 BCAARP [NH3+][C@H](c1ccns1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528154 644806341 /nfs/dbraw/zinc/80/63/41/644806341.db2.gz MSOXSLQWBUMRKU-BLFSSDSTSA-N 2 0 239.344 0.788 50 0 BCAARP [NH3+][C@@H](C1CCOCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527495 644806473 /nfs/dbraw/zinc/80/64/73/644806473.db2.gz AMAFNRHEFOFXSY-FXJUQPSGSA-N 2 0 240.347 0.386 50 0 BCAARP CN1CC[NH+]2CCN(C)P1N(C)CC2 ZINC000002562324 342724211 /nfs/dbraw/zinc/72/42/11/342724211.db2.gz PCYSWBQHCWWSFW-UHFFFAOYSA-N 2 0 216.269 0.338 50 0 BCAARP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1C=CC[NH2+]1 ZINC000584904106 342737187 /nfs/dbraw/zinc/73/71/87/342737187.db2.gz WUIMKFVSYJGBQB-LLVKDONJSA-N 2 0 237.347 0.505 50 0 BCAARP CC[NH+](CC)CCCNC(=O)C1CC[NH2+]CC1 ZINC000021952348 343029835 /nfs/dbraw/zinc/02/98/35/343029835.db2.gz KOMUJNWNMHAEHA-UHFFFAOYSA-N 2 0 241.379 0.834 50 0 BCAARP [NH3+][C@@H](CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000022216014 343044400 /nfs/dbraw/zinc/04/44/00/343044400.db2.gz LFBCQARCHGMDKD-LBPRGKRZSA-N 2 0 233.315 0.508 50 0 BCAARP COc1ccc(C)cc1NC(=[NH2+])NC(N)=[NH2+] ZINC000085389059 191008581 /nfs/dbraw/zinc/00/85/81/191008581.db2.gz GJEOHZBGRMSYFD-UHFFFAOYSA-N 2 0 221.264 0.833 50 0 BCAARP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218378311 350091492 /nfs/dbraw/zinc/09/14/92/350091492.db2.gz PSDSTZLFOHUDGH-MXWKQRLJSA-N 2 0 225.336 0.324 50 0 BCAARP [NH3+][C@@H]1[C@H](O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000601012367 350329125 /nfs/dbraw/zinc/32/91/25/350329125.db2.gz BVXZDLTZJLZLFA-ZDEQEGDKSA-N 2 0 218.300 0.579 50 0 BCAARP NC(=[NH2+])NC(=[NH2+])NCc1ccc(Cl)cc1 ZINC000005840319 181188077 /nfs/dbraw/zinc/18/80/77/181188077.db2.gz DXENBVSHQHBTBD-UHFFFAOYSA-N 2 0 225.683 0.847 50 0 BCAARP CC(C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)[C@H]2O ZINC000242648554 358947370 /nfs/dbraw/zinc/94/73/70/358947370.db2.gz QZMMHOCDNJVLGY-CLLJXQQHSA-N 2 0 226.364 0.935 50 0 BCAARP c1nc(C[NH+]2CCCC2)c2n1CC[NH2+]C2 ZINC000237992017 360343610 /nfs/dbraw/zinc/34/36/10/360343610.db2.gz GDQUFKJYSLOAEY-UHFFFAOYSA-N 2 0 206.293 0.582 50 0 BCAARP [NH3+]CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000041664768 181394055 /nfs/dbraw/zinc/39/40/55/181394055.db2.gz VOOCFFNRHUDOSE-JTQLQIEISA-N 2 0 207.277 0.151 50 0 BCAARP O=C(NCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000019686042 182185690 /nfs/dbraw/zinc/18/56/90/182185690.db2.gz XFTKBPXAACQTLN-NSHDSACASA-N 2 0 225.336 0.198 50 0 BCAARP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH2+]CC2 ZINC000169676864 183154130 /nfs/dbraw/zinc/15/41/30/183154130.db2.gz PPGKBCHXMFKWIR-LLVKDONJSA-N 2 0 224.348 0.833 50 0 BCAARP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH3+] ZINC000041680257 169158740 /nfs/dbraw/zinc/15/87/40/169158740.db2.gz LSEQEJDAAKJTSX-SECBINFHSA-N 2 0 201.314 0.134 50 0 BCAARP C[C@@H]1Cc2ccccc2N1C(=[NH2+])NC(N)=[NH2+] ZINC000006714107 384164378 /nfs/dbraw/zinc/16/43/78/384164378.db2.gz IJFDVPAOUUJQQA-SSDOTTSWSA-N 2 0 217.276 0.855 50 0 BCAARP OC[C@H]1C[C@@H](O)CN1CCC[NH+]1CCCCC1 ZINC000189142332 384231432 /nfs/dbraw/zinc/23/14/32/384231432.db2.gz PFUCJVLPADNUSN-CHWSQXEVSA-N 2 0 242.363 0.290 50 0 BCAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299740102 384304150 /nfs/dbraw/zinc/30/41/50/384304150.db2.gz VQVZQRFITRIQMZ-VXGBXAGGSA-N 2 0 239.363 0.811 50 0 BCAARP [NH3+]C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000238009864 384463865 /nfs/dbraw/zinc/46/38/65/384463865.db2.gz GZEVAUXQBOAQJY-NWDGAFQWSA-N 2 0 233.315 0.289 50 0 BCAARP CC[NH+](CC)C[C@]1(O)CCC[NH2+]CC1 ZINC000096669770 384470550 /nfs/dbraw/zinc/47/05/50/384470550.db2.gz NVVWYLKZZBTOAY-NSHDSACASA-N 2 0 200.326 0.833 50 0 BCAARP C[NH+](C)CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000019408404 384520233 /nfs/dbraw/zinc/52/02/33/384520233.db2.gz SOSRFVIGDZCFHF-JTQLQIEISA-N 2 0 213.325 0.054 50 0 BCAARP C[NH+](C)CCOc1ccc(C(N)=[NH2+])cc1 ZINC000019504595 384525631 /nfs/dbraw/zinc/52/56/31/384525631.db2.gz KVRRGPODUQKYAV-UHFFFAOYSA-N 2 0 207.277 0.911 50 0 BCAARP C[C@@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495844 387099990 /nfs/dbraw/zinc/09/99/90/387099990.db2.gz SKHPZOYRDLXMTA-BDAKNGLRSA-N 2 0 211.309 0.077 50 0 BCAARP C[C@@H](Cn1cncn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426415668 387567585 /nfs/dbraw/zinc/56/75/85/387567585.db2.gz URPGNSHPAXWVFQ-LBPRGKRZSA-N 2 0 249.362 0.742 50 0 BCAARP C[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000002538756 132315230 /nfs/dbraw/zinc/31/52/30/132315230.db2.gz GRSJANZWLLXZFG-UHFFFAOYSA-N 2 0 205.305 0.897 50 0 BCAARP CN1CCC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000058289838 173020096 /nfs/dbraw/zinc/02/00/96/173020096.db2.gz KAICCYOQWGMHAV-VXGBXAGGSA-N 2 0 249.362 0.609 50 0 BCAARP CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000042783362 173084012 /nfs/dbraw/zinc/08/40/12/173084012.db2.gz RELIXAUPLVUEIQ-GFCCVEGCSA-N 2 0 211.353 0.624 50 0 BCAARP Cn1cccc1[C@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000019771710 173092442 /nfs/dbraw/zinc/09/24/42/173092442.db2.gz BJWWHKRWVXKIDI-LBPRGKRZSA-N 2 0 222.336 0.272 50 0 BCAARP C[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000019398872 173095605 /nfs/dbraw/zinc/09/56/05/173095605.db2.gz VHZHFHXITHQLFZ-CYBMUJFWSA-N 2 0 219.332 0.934 50 0 BCAARP C[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000237483327 176090906 /nfs/dbraw/zinc/09/09/06/176090906.db2.gz OBDGJZQUPAEQCX-PWSUYJOCSA-N 2 0 239.363 0.572 50 0 BCAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000047843721 177186509 /nfs/dbraw/zinc/18/65/09/177186509.db2.gz YYSWLIJSBRAXMR-TXEJJXNPSA-N 2 0 211.353 0.764 50 0 BCAARP C[C@H]1CO[C@@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000088099006 177299978 /nfs/dbraw/zinc/29/99/78/177299978.db2.gz PPSQOHNEORNGRQ-CMPLNLGQSA-N 2 0 228.336 0.068 50 0 BCAARP C[NH+](C)C[C@@H]1OC(C)(C)O[C@H]1C[NH+](C)C ZINC000032194805 323235364 /nfs/dbraw/zinc/23/53/64/323235364.db2.gz WOTDAPQUONJWPP-UWVGGRQHSA-N 2 0 216.325 0.630 50 0 BCAARP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000390834758 519609424 /nfs/dbraw/zinc/60/94/24/519609424.db2.gz XDAQQGOVBJFQJH-RYUDHWBXSA-N 2 0 241.379 0.831 50 0 BCAARP C[NH2+]CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000261558326 536444838 /nfs/dbraw/zinc/44/48/38/536444838.db2.gz YCKGCPWYOSZDNJ-WCABBAIRSA-N 2 0 213.325 0.099 50 0 BCAARP [NH3+][C@H](CC1CC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528600 635550881 /nfs/dbraw/zinc/55/08/81/635550881.db2.gz WENXAVKKRSEYJE-FBTJUVTCSA-N 2 0 210.321 0.759 50 0 BCAARP COC[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958528779 635551466 /nfs/dbraw/zinc/55/14/66/635551466.db2.gz VFGUZLBXDHAMIB-SECBINFHSA-N 2 0 230.352 0.632 50 0 BCAARP [NH3+]C[C@@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000097019688 631231984 /nfs/dbraw/zinc/23/19/84/631231984.db2.gz ZTZJQKIABACVLS-VIFPVBQESA-N 2 0 211.309 0.208 50 0 BCAARP [NH3+][C@@H](c1ccns1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528160 644805869 /nfs/dbraw/zinc/80/58/69/644805869.db2.gz MSOXSLQWBUMRKU-OAAZLCILSA-N 2 0 239.344 0.788 50 0 BCAARP CC(C)OC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528564 644807683 /nfs/dbraw/zinc/80/76/83/644807683.db2.gz UXGAFRYFCYQGNT-PSIUFMSWSA-N 2 0 228.336 0.384 50 0 BCAARP