smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(CC2=[NH+]CCN2)c2ccccc12 ZINC000000001193 342669560 /nfs/dbraw/zinc/66/95/60/342669560.db2.gz GPPLXTFJYCQMRB-UHFFFAOYSA-N 1 0 244.725 3.037 40 0 in-man BGABRO C[C@@H]1C[N@@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1 ZINC000000051110 176265765 /nfs/dbraw/zinc/26/57/65/176265765.db2.gz OSDDHJSLXVQDID-BBRMVZONSA-N 1 0 247.382 3.015 40 0 BGABRO Cc1cc(N2CCCC2)c2ccccc2[nH+]1 ZINC000000120743 178113420 /nfs/dbraw/zinc/11/34/20/178113420.db2.gz NTWNATDBCDTKHS-UHFFFAOYSA-N 1 0 212.296 3.143 40 0 BGABRO Cc1sc2ccc3ccsc3c2[n+]1C ZINC000000199141 345419936 /nfs/dbraw/zinc/41/99/36/345419936.db2.gz BMBVRABACNSDNY-UHFFFAOYSA-N 1 0 220.342 3.249 40 0 BGABRO Cc1cc(C)c2[nH+]c3c(c(N)c2c1)CCCC3 ZINC000000243398 177887189 /nfs/dbraw/zinc/88/71/89/177887189.db2.gz AJDMOOPMKMTOLB-UHFFFAOYSA-N 1 0 226.323 3.313 40 0 BGABRO Cc1cccc2c(N)c3c([nH+]c12)CCCC3 ZINC000000244522 179210406 /nfs/dbraw/zinc/21/04/06/179210406.db2.gz GODLIFKIXOXQIS-UHFFFAOYSA-N 1 0 212.296 3.004 40 0 BGABRO Cc1ccc(C)c2c(N)c3c([nH+]c12)CCCC3 ZINC000000276649 345421924 /nfs/dbraw/zinc/42/19/24/345421924.db2.gz VVMFUQLLAPCMSG-UHFFFAOYSA-N 1 0 226.323 3.313 40 0 BGABRO CC[n+]1c(C)sc2c1cc(C)cc2C ZINC000000317964 345426875 /nfs/dbraw/zinc/42/68/75/345426875.db2.gz DWAYPSLRVMMQPW-UHFFFAOYSA-N 1 0 206.334 3.134 40 0 BGABRO CCn1c2ccc3ccccc3c2[n+](CC)c1C ZINC000000320201 172134970 /nfs/dbraw/zinc/13/49/70/172134970.db2.gz YUAOGLRJYIXGLN-UHFFFAOYSA-N 1 0 239.342 3.430 40 0 BGABRO CC(C)C[NH2+]Cc1cccn1Cc1ccccc1 ZINC000000321519 167009681 /nfs/dbraw/zinc/00/96/81/167009681.db2.gz VCEFLOTYLDHUJA-UHFFFAOYSA-N 1 0 242.366 3.282 40 0 BGABRO Cc1[nH]c2ccccc2c1/C=C/c1cc[n+](C)cc1 ZINC000000342503 345827626 /nfs/dbraw/zinc/82/76/26/345827626.db2.gz OLPXQEGZLREYGL-UHFFFAOYSA-O 1 0 249.337 3.471 40 0 BGABRO CC[n+]1ccccc1C=CNc1ccccc1 ZINC000000363769 323026707 /nfs/dbraw/zinc/02/67/07/323026707.db2.gz AZHZSFDQHQKYTG-UHFFFAOYSA-O 1 0 225.315 3.077 40 0 BGABRO c1csc(-c2cnc3n2CCCCC3)c1 ZINC000000496310 345967520 /nfs/dbraw/zinc/96/75/20/345967520.db2.gz RWPRCBZYEVWGKN-UHFFFAOYSA-N 1 0 218.325 3.338 40 0 BGABRO CCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000000514869 346418044 /nfs/dbraw/zinc/41/80/44/346418044.db2.gz CUGPCYZPEAQAAE-UHFFFAOYSA-N 1 0 246.354 3.021 40 0 BGABRO C[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000000983300 176238061 /nfs/dbraw/zinc/23/80/61/176238061.db2.gz ZGAYFJMPZYKZAE-BXUZGUMPSA-N 1 0 205.345 3.361 40 0 BGABRO CC(C)[N@@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000001021395 167031004 /nfs/dbraw/zinc/03/10/04/167031004.db2.gz SIPPYVOQXDDGOR-IJEWVQPXSA-N 1 0 247.382 3.013 40 0 BGABRO C[C@H]1C[N@@H+](C(C)(C)C)C[C@@](O)(c2ccccc2)C1 ZINC000001022498 177232216 /nfs/dbraw/zinc/23/22/16/177232216.db2.gz OSDDHJSLXVQDID-CZUORRHYSA-N 1 0 247.382 3.015 40 0 BGABRO [NH3+]C1(c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000001293677 181334745 /nfs/dbraw/zinc/33/47/45/181334745.db2.gz ZNZDVLSOYRHMCB-UHFFFAOYSA-N 1 0 227.351 3.297 40 0 BGABRO CCC[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000001481908 358124586 /nfs/dbraw/zinc/12/45/86/358124586.db2.gz OJCPSBCUMRIPFL-OAHLLOKOSA-N 1 0 217.356 3.494 40 0 world BGABRO CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000001482061 170108260 /nfs/dbraw/zinc/10/82/60/170108260.db2.gz IFYLVUHLOOCYBG-UHFFFAOYSA-N 1 0 203.329 3.456 40 0 in-man BGABRO c1c2ccccc2[nH]c1C[NH+]1CCCCC1 ZINC000001510550 398194996 /nfs/dbraw/zinc/19/49/96/398194996.db2.gz HPGHNDPHBSXVMD-UHFFFAOYSA-N 1 0 214.312 3.154 40 0 BGABRO Cc1cc(C)c(CC[NH+](C)C)c(C)c1C ZINC000001555459 177857979 /nfs/dbraw/zinc/85/79/79/177857979.db2.gz ALBVCXKXWFOMHZ-UHFFFAOYSA-N 1 0 205.345 3.024 40 0 BGABRO O=[N+]1CCCC1=CCC=Cc1ccccc1 ZINC000001559122 188274112 /nfs/dbraw/zinc/27/41/12/188274112.db2.gz GDYVRHUFZSBPOD-LUZURFALSA-N 1 0 213.280 3.001 40 0 BGABRO c1ccc(CC[NH+]2CCCCCCCC2)nc1 ZINC000001562277 183391643 /nfs/dbraw/zinc/39/16/43/183391643.db2.gz VJMANJQYIPFWFT-UHFFFAOYSA-N 1 0 232.371 3.280 40 0 BGABRO C[n+]1ccc(/C=C/c2cccc3ccccc23)cn1 ZINC000001565703 342703129 /nfs/dbraw/zinc/70/31/29/342703129.db2.gz HWPXONLUFDPNNW-MDZDMXLPSA-N 1 0 247.321 3.230 40 0 BGABRO C[NH+](C)CCC(=O)c1ccc(Cl)cc1Cl ZINC000001567507 384403622 /nfs/dbraw/zinc/40/36/22/384403622.db2.gz NUNHTQLKYWWEFY-UHFFFAOYSA-N 1 0 246.137 3.128 40 0 BGABRO CC(C)=C=CC[N@@H+](C)Cc1ccccc1 ZINC000001568906 342703464 /nfs/dbraw/zinc/70/34/64/342703464.db2.gz IZCVWYDOYXBKBP-UHFFFAOYSA-N 1 0 201.313 3.240 40 0 BGABRO CCC[C@H]1CCCC[N@@H+]1CSCC ZINC000001569415 342703415 /nfs/dbraw/zinc/70/34/15/342703415.db2.gz DWFKBOAIKJMBGL-NSHDSACASA-N 1 0 201.379 3.352 40 0 BGABRO c1ccc(N[n+]2ccc3ccccc3c2)cc1 ZINC000001570358 183417014 /nfs/dbraw/zinc/41/70/14/183417014.db2.gz LXMHQKAENYKBFC-UHFFFAOYSA-N 1 0 221.283 3.003 40 0 BGABRO C[n+]1cc2ccccc2c(Cc2ccccc2)c1 ZINC000001578090 342704153 /nfs/dbraw/zinc/70/41/53/342704153.db2.gz WCSGWVBAHFNZLM-UHFFFAOYSA-N 1 0 234.322 3.255 40 0 BGABRO CC1(C)O[C@]2(C)CC[C@H]1C=C2[NH+]1CCCCC1 ZINC000001579357 190972508 /nfs/dbraw/zinc/97/25/08/190972508.db2.gz FNKHEVHWQHMYOW-SWLSCSKDSA-N 1 0 235.371 3.334 40 0 BGABRO CC1(C)O[C@@]2(C)CC[C@@H]1C=C2[NH+]1CCCCC1 ZINC000001579358 188274088 /nfs/dbraw/zinc/27/40/88/188274088.db2.gz FNKHEVHWQHMYOW-DOMZBBRYSA-N 1 0 235.371 3.334 40 0 BGABRO CC(C)=C(Nc1ccccc1)[NH2+]C(C)C ZINC000001579776 187408879 /nfs/dbraw/zinc/40/88/79/187408879.db2.gz SICSJNXZMMMDBM-UHFFFAOYSA-N 1 0 204.317 3.348 40 0 BGABRO Cc1cc(C)c[n+](/C=C/c2ccccc2)c1 ZINC000001581205 177888803 /nfs/dbraw/zinc/88/88/03/177888803.db2.gz JGNRQJMXYOOOJU-CMDGGOBGSA-N 1 0 210.300 3.219 40 0 BGABRO Clc1ccc(/C=C/[n+]2ccccc2)cc1 ZINC000001581209 180578065 /nfs/dbraw/zinc/57/80/65/180578065.db2.gz XZLRINZWBUDXQM-DHZHZOJOSA-N 1 0 216.691 3.255 40 0 BGABRO CC(C)(C)C1CCC2(CC1)OC[C@@H]1CCC[N@H+]12 ZINC000001581796 342704305 /nfs/dbraw/zinc/70/43/05/342704305.db2.gz STJPDJUTBCYKGD-OWYJLGKBSA-N 1 0 237.387 3.414 40 0 BGABRO CC(C)(C)C1CCC2(CC1)OC[C@H]1CCC[N@H+]12 ZINC000001581797 342704299 /nfs/dbraw/zinc/70/42/99/342704299.db2.gz STJPDJUTBCYKGD-JVWICGRDSA-N 1 0 237.387 3.414 40 0 BGABRO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000001582184 342704302 /nfs/dbraw/zinc/70/43/02/342704302.db2.gz LPQPLQYENZITFQ-CABCVRRESA-N 1 0 213.324 3.245 40 0 BGABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1 ZINC000001585346 177117426 /nfs/dbraw/zinc/11/74/26/177117426.db2.gz FHKIWDAIYKKWPD-BETUJISGSA-N 1 0 203.329 3.450 40 0 BGABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1 ZINC000001585347 176116339 /nfs/dbraw/zinc/11/63/39/176116339.db2.gz FHKIWDAIYKKWPD-CHWSQXEVSA-N 1 0 203.329 3.450 40 0 BGABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1 ZINC000001585348 177132653 /nfs/dbraw/zinc/13/26/53/177132653.db2.gz FHKIWDAIYKKWPD-STQMWFEESA-N 1 0 203.329 3.450 40 0 BGABRO C[NH+]1C(C)(C)CC(O)(c2ccccc2)CC1(C)C ZINC000001585540 342704482 /nfs/dbraw/zinc/70/44/82/342704482.db2.gz GLFNAKWJKOQJNT-UHFFFAOYSA-N 1 0 247.382 3.157 40 0 BGABRO CNc1ccc(C[NH+]2CCCCC2)cc1C ZINC000001585834 173478864 /nfs/dbraw/zinc/47/88/64/173478864.db2.gz TYSPDCXRJPJIFF-UHFFFAOYSA-N 1 0 218.344 3.023 40 0 BGABRO Cc1c(C)c(C)c(CC[NH+](C)C)c(C)c1C ZINC000001586617 177575187 /nfs/dbraw/zinc/57/51/87/177575187.db2.gz YKPCWEVXOIGDHF-UHFFFAOYSA-N 1 0 219.372 3.333 40 0 BGABRO Cc1cccc(Cl)c1NCC[NH+]1CCCC1 ZINC000001587069 179108287 /nfs/dbraw/zinc/10/82/87/179108287.db2.gz YEDMMUYBFQWHKY-UHFFFAOYSA-N 1 0 238.762 3.156 40 0 BGABRO c1[nH]c2ccccc2c1CC[NH+]1CCCCC1 ZINC000001589407 384329573 /nfs/dbraw/zinc/32/95/73/384329573.db2.gz PJVCNRSWJSLGCV-UHFFFAOYSA-N 1 0 228.339 3.196 40 0 BGABRO C[n+]1ccccc1/C=C/C=C/c1ccccc1 ZINC000001594984 383910438 /nfs/dbraw/zinc/91/04/38/383910438.db2.gz GXRKWEVXTPYBCN-YDWXAUTNSA-N 1 0 222.311 3.238 40 0 BGABRO Cc1cc(C)[n+](CCc2ccccc2)c(C)c1 ZINC000001598312 383910489 /nfs/dbraw/zinc/91/04/89/383910489.db2.gz KBNWVHQCBKOARC-UHFFFAOYSA-N 1 0 226.343 3.142 40 0 BGABRO C[NH+](C)Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000001598647 342705153 /nfs/dbraw/zinc/70/51/53/342705153.db2.gz AMDZOARQORXJTF-UHFFFAOYSA-N 1 0 228.339 3.108 40 0 BGABRO C=C(/C=C/c1cccc[n+]1C)c1ccccc1 ZINC000001600244 322810425 /nfs/dbraw/zinc/81/04/25/322810425.db2.gz LBTHXMGPBSEZPB-VAWYXSNFSA-N 1 0 222.311 3.238 40 0 BGABRO CC1=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000001604018 168126745 /nfs/dbraw/zinc/12/67/45/168126745.db2.gz XJOOMMHNYOJWCZ-UKRRQHHQSA-N 1 0 238.334 3.068 40 0 in-vivo BGABRO CCCCCCc1ccc(CC[NH3+])cc1 ZINC000001604287 346459534 /nfs/dbraw/zinc/45/95/34/346459534.db2.gz GPEIEKRQHRLDTB-UHFFFAOYSA-N 1 0 205.345 3.311 40 0 in-vitro BGABRO [NH2+]=C(/C=C/c1ccccc1)N1CCCCC1 ZINC000001608872 181185630 /nfs/dbraw/zinc/18/56/30/181185630.db2.gz FMRSKRASDBZGPB-HDHZNLKHSA-N 1 0 214.312 3.163 40 0 BGABRO [NH3+]C12CCC(c3ccccc31)c1ccccc12 ZINC000001611611 181336236 /nfs/dbraw/zinc/33/62/36/181336236.db2.gz HSAKIEZEOZJGQE-UHFFFAOYSA-N 1 0 221.303 3.128 40 0 BGABRO CCC[NH2+]Cc1cccc2ccnc(C)c21 ZINC000001613668 169267737 /nfs/dbraw/zinc/26/77/37/169267737.db2.gz YIWINIRPCHPICZ-UHFFFAOYSA-N 1 0 214.312 3.043 40 0 BGABRO Cc1nccc2cccc(C[NH2+]C(C)C)c21 ZINC000001613669 180209138 /nfs/dbraw/zinc/20/91/38/180209138.db2.gz MWYRUILXSZSTOU-UHFFFAOYSA-N 1 0 214.312 3.041 40 0 BGABRO C[NH+](C)[C@]1(C)Cc2ccccc2C(C)(C)C1 ZINC000001615628 172542767 /nfs/dbraw/zinc/54/27/67/172542767.db2.gz SJQFKVWJRCCRTM-OAHLLOKOSA-N 1 0 217.356 3.231 40 0 BGABRO O=C(CC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000001615844 342706054 /nfs/dbraw/zinc/70/60/54/342706054.db2.gz BPXMVRFQNDHGKN-UHFFFAOYSA-N 1 0 249.329 3.275 40 0 BGABRO Cc1cc[n+](Cc2ccccc2Cl)c(C)c1 ZINC000001619217 178309150 /nfs/dbraw/zinc/30/91/50/178309150.db2.gz QPXHBUBCJOAJCJ-UHFFFAOYSA-N 1 0 232.734 3.293 40 0 BGABRO c1ccc2c(c1)NC[C@@H]2CC[NH+]1CCCCC1 ZINC000001621777 383911545 /nfs/dbraw/zinc/91/15/45/383911545.db2.gz NPOWDFUKDKZAES-ZDUSSCGKSA-N 1 0 230.355 3.072 40 0 BGABRO O=C(c1ccccc1)[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001621781 342706265 /nfs/dbraw/zinc/70/62/65/342706265.db2.gz NHGFFSNZCDOCNC-LSDHHAIUSA-N 1 0 243.350 3.134 40 0 BGABRO [NH3+]CCSC(c1ccccc1)c1ccccc1 ZINC000001626954 181401490 /nfs/dbraw/zinc/40/14/90/181401490.db2.gz BIPNUYXEYOEPHN-UHFFFAOYSA-N 1 0 243.375 3.468 40 0 in-vitro BGABRO CCOc1ccc2c(c1)c(C)cc(C)[n+]2CC ZINC000001627287 342706199 /nfs/dbraw/zinc/70/61/99/342706199.db2.gz UOJUOMKQGIGYSF-UHFFFAOYSA-N 1 0 230.331 3.163 40 0 BGABRO Cc1c2[nH]c3ccccc3c2ccc1CC[NH3+] ZINC000001627302 177580929 /nfs/dbraw/zinc/58/09/29/177580929.db2.gz KWWNXSRNIRBVLC-UHFFFAOYSA-N 1 0 224.307 3.131 40 0 BGABRO C[NH+](C)C[C@H](O)c1ccc(Cl)c2ccccc21 ZINC000001628183 383914632 /nfs/dbraw/zinc/91/46/32/383914632.db2.gz XLDAMPBKFZDRSB-AWEZNQCLSA-N 1 0 249.741 3.088 40 0 in-vitro BGABRO c1ccc(CC[n+]2cccc3ccccc32)cc1 ZINC000001634286 183394959 /nfs/dbraw/zinc/39/49/59/183394959.db2.gz AUELWNZKZJZBQK-UHFFFAOYSA-N 1 0 234.322 3.370 40 0 BGABRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1 ZINC000001634322 368664163 /nfs/dbraw/zinc/66/41/63/368664163.db2.gz OUKACZRGSBUQSG-CYBMUJFWSA-N 1 0 241.334 3.113 40 0 BGABRO Cc1csc2sc3ccccc3[n+]12 ZINC000001648619 383914973 /nfs/dbraw/zinc/91/49/73/383914973.db2.gz RSQJLLUVVVHODX-UHFFFAOYSA-N 1 0 206.315 3.010 40 0 BGABRO c1sc2cccc[n+]2c1-c1ccccc1 ZINC000001648642 183382417 /nfs/dbraw/zinc/38/24/17/183382417.db2.gz DXGOHRFVKMHFKA-UHFFFAOYSA-N 1 0 212.297 3.154 40 0 BGABRO Cc1sc2cccc[n+]2c1-c1ccccc1 ZINC000001648648 342707083 /nfs/dbraw/zinc/70/70/83/342707083.db2.gz IFYOGMLZQIYXQR-UHFFFAOYSA-N 1 0 226.324 3.462 40 0 BGABRO CC1=C[n+]2ccccc2Sc2ccccc21 ZINC000001648649 168133020 /nfs/dbraw/zinc/13/30/20/168133020.db2.gz ILSOWEHSMRYMIY-UHFFFAOYSA-N 1 0 226.324 3.457 40 0 BGABRO c1ccc2c(c1)ccc1sc3c([n+]12)CCC3 ZINC000001648650 383915704 /nfs/dbraw/zinc/91/57/04/383915704.db2.gz JUZNVBPTVKKJPK-UHFFFAOYSA-N 1 0 226.324 3.129 40 0 BGABRO Cc1ccc(-c2csc3cccc[n+]32)cc1 ZINC000001648651 178329814 /nfs/dbraw/zinc/32/98/14/178329814.db2.gz VALOGDANSZKPQX-UHFFFAOYSA-N 1 0 226.324 3.462 40 0 BGABRO CCC(CC)(C[NH3+])CCOc1ccccc1 ZINC000001654113 168322863 /nfs/dbraw/zinc/32/28/63/168322863.db2.gz WMWUSUPQVFIBJW-UHFFFAOYSA-N 1 0 221.344 3.221 40 0 BGABRO C[NH+](C)CCC[C@H](O)c1cccc2ccccc21 ZINC000001655460 383918251 /nfs/dbraw/zinc/91/82/51/383918251.db2.gz RPFVNLVUFWTWNR-INIZCTEOSA-N 1 0 243.350 3.215 40 0 BGABRO Cc1[nH]c2ccccc2c1C[NH+]1CCCCC1 ZINC000001662192 342707309 /nfs/dbraw/zinc/70/73/09/342707309.db2.gz WLTYXHKAKNGEJA-UHFFFAOYSA-N 1 0 228.339 3.462 40 0 BGABRO CCC[NH2+]CCCSCc1ccccc1 ZINC000001662608 519913104 /nfs/dbraw/zinc/91/31/04/519913104.db2.gz XBCPMTGICOHDRQ-UHFFFAOYSA-N 1 0 223.385 3.310 40 0 BGABRO CCCCC[N@@H+]1CCc2ccccc2C1 ZINC000001663978 342707621 /nfs/dbraw/zinc/70/76/21/342707621.db2.gz KNTSMNQVUFQHSW-UHFFFAOYSA-N 1 0 203.329 3.235 40 0 BGABRO Cc1csc[n+]1CCC1CCCCC1 ZINC000001665287 383918977 /nfs/dbraw/zinc/91/89/77/383918977.db2.gz QEGWCETWOMQCIB-UHFFFAOYSA-N 1 0 210.366 3.314 40 0 BGABRO Cc1cccc[n+]1CCC1CCCCC1 ZINC000001665296 179233771 /nfs/dbraw/zinc/23/37/71/179233771.db2.gz LCJIBWFOPRLQRE-UHFFFAOYSA-N 1 0 204.337 3.253 40 0 BGABRO Cc1cc[n+](CCC2CCCCC2)cc1 ZINC000001665297 178309350 /nfs/dbraw/zinc/30/93/50/178309350.db2.gz JHIKZASKPTZLLQ-UHFFFAOYSA-N 1 0 204.337 3.253 40 0 BGABRO Cc1ccc2ccccc2c1C[n+]1ccccc1 ZINC000001665406 342707627 /nfs/dbraw/zinc/70/76/27/342707627.db2.gz WVFULBIVVLKULP-UHFFFAOYSA-N 1 0 234.322 3.484 40 0 BGABRO CNC1=[NH+]C(C)(C)C2CCC(C)(CC2)S1 ZINC000001666644 173321950 /nfs/dbraw/zinc/32/19/50/173321950.db2.gz QCTCJYILMYHLRS-UHFFFAOYSA-N 1 0 226.389 3.036 40 0 BGABRO CC[NH+](CC)C[C@H](O)c1ccc2ccccc2c1 ZINC000001666869 342707642 /nfs/dbraw/zinc/70/76/42/342707642.db2.gz IVTAFGCTHSFIIT-INIZCTEOSA-N 1 0 243.350 3.215 40 0 BGABRO [NH3+][C@H](Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000001667013 342707480 /nfs/dbraw/zinc/70/74/80/342707480.db2.gz LNEFEPJQQTYXJP-QGZVFWFLSA-N 1 0 237.346 3.418 40 0 BGABRO C[NH2+][C@@H](Cc1ccccc1)c1ccc(C)cc1 ZINC000001667177 173425630 /nfs/dbraw/zinc/42/56/30/173425630.db2.gz KFNBPRSKBKBPAC-INIZCTEOSA-N 1 0 225.335 3.498 40 0 BGABRO C[NH2+][C@@H](Cc1ccccc1)c1cccc(OC)c1 ZINC000001667178 173425545 /nfs/dbraw/zinc/42/55/45/173425545.db2.gz YORWIMAVZYHXJQ-INIZCTEOSA-N 1 0 241.334 3.198 40 0 BGABRO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccccc1 ZINC000001667179 173454454 /nfs/dbraw/zinc/45/44/54/173454454.db2.gz BHNAWFIQVQEFGB-MRXNPFEDSA-N 1 0 241.334 3.198 40 0 BGABRO C[NH2+][C@@H](Cc1ccccc1)c1ccccc1OC ZINC000001667180 383918994 /nfs/dbraw/zinc/91/89/94/383918994.db2.gz ZEFNRXVRBDGSDG-HNNXBMFYSA-N 1 0 241.334 3.198 40 0 BGABRO CCCC[NH+](CCCC)CCCCOC ZINC000001667748 383919040 /nfs/dbraw/zinc/91/90/40/383919040.db2.gz QLCCKDQTRHVASU-UHFFFAOYSA-N 1 0 215.381 3.315 40 0 BGABRO CC[NH+](CC)CCOCc1ccc2c(c1)CCC2 ZINC000001668215 342707731 /nfs/dbraw/zinc/70/77/31/342707731.db2.gz IDFKPNCWWJJMSD-UHFFFAOYSA-N 1 0 247.382 3.034 40 0 BGABRO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000001669541 383917959 /nfs/dbraw/zinc/91/79/59/383917959.db2.gz TXFQRXXAMKZVOG-MRXNPFEDSA-N 1 0 225.335 3.498 40 0 BGABRO Cc1ccccc1NC(=[NH2+])Nc1ccccc1 ZINC000001669768 179297486 /nfs/dbraw/zinc/29/74/86/179297486.db2.gz IKOWCCQMFQLCGP-UHFFFAOYSA-N 1 0 225.295 3.454 40 0 BGABRO O=C(CC[NH+]1CCCCCC1)c1cccs1 ZINC000001671227 346463804 /nfs/dbraw/zinc/46/38/04/346463804.db2.gz ZZEDXDDTEVYABN-UHFFFAOYSA-N 1 0 237.368 3.197 40 0 BGABRO CCCCC[C@@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000001672744 136207136 /nfs/dbraw/zinc/20/71/36/136207136.db2.gz LOJOMUWFRGUPLG-GDBMZVCRSA-N 1 0 249.398 3.148 40 0 BGABRO CCCCC[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000001672745 136207163 /nfs/dbraw/zinc/20/71/63/136207163.db2.gz LOJOMUWFRGUPLG-GOEBONIOSA-N 1 0 249.398 3.148 40 0 BGABRO CCCCC[C@@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000001672746 136207182 /nfs/dbraw/zinc/20/71/82/136207182.db2.gz LOJOMUWFRGUPLG-ZBFHGGJFSA-N 1 0 249.398 3.148 40 0 BGABRO CCCCC[C@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000001672747 136207234 /nfs/dbraw/zinc/20/72/34/136207234.db2.gz LOJOMUWFRGUPLG-HOCLYGCPSA-N 1 0 249.398 3.148 40 0 BGABRO CC(C)C[NH2+]C[C@H](O)CCCCc1ccccc1 ZINC000001672752 167006121 /nfs/dbraw/zinc/00/61/21/167006121.db2.gz XAEWWDLEYWRGRE-MRXNPFEDSA-N 1 0 249.398 3.006 40 0 BGABRO C[C@@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC000001673507 176098884 /nfs/dbraw/zinc/09/88/84/176098884.db2.gz BEKPUUDFAWJFNE-CQSZACIVSA-N 1 0 217.356 3.351 40 0 BGABRO C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000001675116 342708255 /nfs/dbraw/zinc/70/82/55/342708255.db2.gz XSFWMVNBEHPQHZ-UHFFFAOYSA-N 1 0 225.335 3.361 40 0 BGABRO CC(C)C[NH+](CCc1ccccn1)CC(C)C ZINC000001675489 368679661 /nfs/dbraw/zinc/67/96/61/368679661.db2.gz AZNOMAOOEYWAKX-UHFFFAOYSA-N 1 0 234.387 3.238 40 0 BGABRO C[C@@H](CC[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000001675586 175683843 /nfs/dbraw/zinc/68/38/43/175683843.db2.gz XZQAAEYIVVEJAP-GXTWGEPZSA-N 1 0 218.344 3.107 40 0 BGABRO C[C@H](CC[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000001675587 176639003 /nfs/dbraw/zinc/63/90/03/176639003.db2.gz XZQAAEYIVVEJAP-TZMCWYRMSA-N 1 0 218.344 3.107 40 0 BGABRO C[C@@H](CC[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000001675588 175683833 /nfs/dbraw/zinc/68/38/33/175683833.db2.gz XZQAAEYIVVEJAP-JSGCOSHPSA-N 1 0 218.344 3.107 40 0 BGABRO C[C@H](CC[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000001675589 342708155 /nfs/dbraw/zinc/70/81/55/342708155.db2.gz XZQAAEYIVVEJAP-OCCSQVGLSA-N 1 0 218.344 3.107 40 0 BGABRO C[NH2+]C[C@H](C)CN1CCCCCc2ccccc21 ZINC000001678258 173375537 /nfs/dbraw/zinc/37/55/37/173375537.db2.gz OAQMWZHBXYUKEA-AWEZNQCLSA-N 1 0 246.398 3.075 40 0 BGABRO CCC[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000001678599 169385578 /nfs/dbraw/zinc/38/55/78/169385578.db2.gz OJCPSBCUMRIPFL-HNNXBMFYSA-N 1 0 217.356 3.494 40 0 world BGABRO CC(C[NH3+])(c1cccs1)c1cccs1 ZINC000001679368 383921653 /nfs/dbraw/zinc/92/16/53/383921653.db2.gz UCEWEMXHYVYZHX-UHFFFAOYSA-N 1 0 223.366 3.074 40 0 BGABRO c1csc(CCC[NH+]2CCCCC2)c1 ZINC000001679371 342708596 /nfs/dbraw/zinc/70/85/96/342708596.db2.gz AIIQKBQOVGHZPJ-UHFFFAOYSA-N 1 0 209.358 3.167 40 0 BGABRO Cc1cc(C)c(C[NH2+]C2CCCCC2)[nH]1 ZINC000001679476 383920643 /nfs/dbraw/zinc/92/06/43/383920643.db2.gz MITVFRZHMRPTNJ-UHFFFAOYSA-N 1 0 206.333 3.054 40 0 BGABRO C[C@H]1[NH2+][C@@H](C)c2c(ccc3ccccc32)O1 ZINC000001679617 188334802 /nfs/dbraw/zinc/33/48/02/188334802.db2.gz GQXALQAJXQEPBC-UWVGGRQHSA-N 1 0 213.280 3.229 40 0 BGABRO C[C@H]1[NH2+][C@H](C)Oc2ccc3ccccc3c21 ZINC000001679618 384434198 /nfs/dbraw/zinc/43/41/98/384434198.db2.gz GQXALQAJXQEPBC-ZJUUUORDSA-N 1 0 213.280 3.229 40 0 BGABRO C[C@@H]1[NH2+][C@@H](C)c2c(ccc3ccccc32)O1 ZINC000001679619 384433070 /nfs/dbraw/zinc/43/30/70/384433070.db2.gz GQXALQAJXQEPBC-VHSXEESVSA-N 1 0 213.280 3.229 40 0 BGABRO C[C@@H]1[NH2+][C@H](C)c2c(ccc3ccccc32)O1 ZINC000001679620 384434437 /nfs/dbraw/zinc/43/44/37/384434437.db2.gz GQXALQAJXQEPBC-NXEZZACHSA-N 1 0 213.280 3.229 40 0 BGABRO C[NH2+]C1(c2ccc(F)cc2)CCCCC1 ZINC000001680055 173322318 /nfs/dbraw/zinc/32/23/18/173322318.db2.gz UGURUEVWEYBRSY-UHFFFAOYSA-N 1 0 207.292 3.205 40 0 BGABRO CCC(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000001680303 383922633 /nfs/dbraw/zinc/92/26/33/383922633.db2.gz GAUHOWOTQXHBHW-UHFFFAOYSA-N 1 0 225.335 3.341 40 0 BGABRO C[C@H]1N[C@@H](C)c2ccc3ccccc3c2O1 ZINC000001681071 188100355 /nfs/dbraw/zinc/10/03/55/188100355.db2.gz KXLWCLDVPBHFRW-UWVGGRQHSA-N 1 0 213.280 3.229 40 0 BGABRO CCCC[NH+](CCCC)CCCCCO ZINC000001682375 384435149 /nfs/dbraw/zinc/43/51/49/384435149.db2.gz ADQBIUPPBNCYIE-UHFFFAOYSA-N 1 0 215.381 3.051 40 0 BGABRO CC[NH+](CC)CCNc1ccc(Cl)cc1 ZINC000001683213 169782468 /nfs/dbraw/zinc/78/24/68/169782468.db2.gz NCAAIVMJHDTUNT-UHFFFAOYSA-N 1 0 226.751 3.094 40 0 BGABRO CCCCC[NH+](CCCCC)CC(=O)OCC ZINC000001684761 368681216 /nfs/dbraw/zinc/68/12/16/368681216.db2.gz JFBWZQGMDBYSIH-UHFFFAOYSA-N 1 0 243.391 3.232 40 0 BGABRO CC[NH+](CC)CCCn1c(C)nc2ccccc21 ZINC000001684897 342708888 /nfs/dbraw/zinc/70/88/88/342708888.db2.gz LTLNGEUJJBFOGP-UHFFFAOYSA-N 1 0 245.370 3.077 40 0 BGABRO C1=[NH+][C@@H]2c3ccccc3-c3ccccc3[C@H]2N1 ZINC000001685114 342709033 /nfs/dbraw/zinc/70/90/33/342709033.db2.gz PRYMJWZMMDCNJS-HUUCEWRRSA-N 1 0 220.275 3.081 40 0 BGABRO C1=[NH+][C@@H]2c3ccccc3-c3ccccc3[C@@H]2N1 ZINC000001685116 383923689 /nfs/dbraw/zinc/92/36/89/383923689.db2.gz PRYMJWZMMDCNJS-GASCZTMLSA-N 1 0 220.275 3.081 40 0 BGABRO C1=[NH+][C@H]2c3ccccc3-c3ccccc3[C@@H]2N1 ZINC000001685117 342708905 /nfs/dbraw/zinc/70/89/05/342708905.db2.gz PRYMJWZMMDCNJS-GJZGRUSLSA-N 1 0 220.275 3.081 40 0 BGABRO Cc1ccc(C)n1[N@@H+](C)c1ccccc1 ZINC000001685204 342708910 /nfs/dbraw/zinc/70/89/10/342708910.db2.gz PBOJLGVNURHILG-UHFFFAOYSA-N 1 0 200.285 3.004 40 0 BGABRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1 ZINC000001688467 175883118 /nfs/dbraw/zinc/88/31/18/175883118.db2.gz ZXCAYLBMFNWBCF-CQSZACIVSA-N 1 0 241.334 3.416 40 0 BGABRO CC(=O)CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000001688536 188100304 /nfs/dbraw/zinc/10/03/04/188100304.db2.gz STNNOKKWRDZBFG-UHFFFAOYSA-N 1 0 245.366 3.415 40 0 BGABRO Cc1ccc(SCCC[NH+](C)C)cc1 ZINC000001693462 383925680 /nfs/dbraw/zinc/92/56/80/383925680.db2.gz ADMJIAJADKUUCA-UHFFFAOYSA-N 1 0 209.358 3.039 40 0 BGABRO C[C@@H](C[C@H](O)CCC[NH+](C)C)CC(C)(C)C ZINC000001693489 175766940 /nfs/dbraw/zinc/76/69/40/175766940.db2.gz JYASHYCLIUFILK-QWHCGFSZSA-N 1 0 229.408 3.152 40 0 BGABRO C[C@H](C[C@H](O)CCC[NH+](C)C)CC(C)(C)C ZINC000001693490 342709495 /nfs/dbraw/zinc/70/94/95/342709495.db2.gz JYASHYCLIUFILK-CHWSQXEVSA-N 1 0 229.408 3.152 40 0 BGABRO C[C@@H](C[C@@H](O)CCC[NH+](C)C)CC(C)(C)C ZINC000001693491 342709453 /nfs/dbraw/zinc/70/94/53/342709453.db2.gz JYASHYCLIUFILK-STQMWFEESA-N 1 0 229.408 3.152 40 0 BGABRO C[C@H](C[C@@H](O)CCC[NH+](C)C)CC(C)(C)C ZINC000001693492 342709579 /nfs/dbraw/zinc/70/95/79/342709579.db2.gz JYASHYCLIUFILK-OLZOCXBDSA-N 1 0 229.408 3.152 40 0 BGABRO C1CC[C@H]2CC3(CC[NH2+]CC3)CC[C@H]2C1 ZINC000001698141 188334683 /nfs/dbraw/zinc/33/46/83/188334683.db2.gz TYZPOUKYVAWXLU-OLZOCXBDSA-N 1 0 207.361 3.347 40 0 BGABRO C1CC[C@H]2CC3(CC[NH2+]CC3)CC[C@@H]2C1 ZINC000001698142 384436587 /nfs/dbraw/zinc/43/65/87/384436587.db2.gz TYZPOUKYVAWXLU-STQMWFEESA-N 1 0 207.361 3.347 40 0 BGABRO C1CC[C@@H]2CC3(CC[NH2+]CC3)CC[C@H]2C1 ZINC000001698143 187301925 /nfs/dbraw/zinc/30/19/25/187301925.db2.gz TYZPOUKYVAWXLU-CHWSQXEVSA-N 1 0 207.361 3.347 40 0 BGABRO C1CC[C@H]2CCC3(CC[NH2+]CC3)C[C@H]2C1 ZINC000001698144 346466040 /nfs/dbraw/zinc/46/60/40/346466040.db2.gz TYZPOUKYVAWXLU-QWHCGFSZSA-N 1 0 207.361 3.347 40 0 BGABRO C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000001698412 173172239 /nfs/dbraw/zinc/17/22/39/173172239.db2.gz MKANNBGMJZQSFY-MRXNPFEDSA-N 1 0 223.319 3.264 40 0 BGABRO C[C@H](CC(=O)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000001699190 342709947 /nfs/dbraw/zinc/70/99/47/342709947.db2.gz RKCPWOXNAMFTHR-GFCCVEGCSA-N 1 0 249.329 3.273 40 0 BGABRO C(=C1c2ccccc2-c2ccccc21)C1=[NH+]CCN1 ZINC000001699474 188274260 /nfs/dbraw/zinc/27/42/60/188274260.db2.gz JLVNJVUOWIHZOA-UHFFFAOYSA-N 1 0 246.313 3.100 40 0 BGABRO CC1=CC[C@H](C(C)(C)OCC[NH+](C)C)CC1 ZINC000001700041 168120576 /nfs/dbraw/zinc/12/05/76/168120576.db2.gz OJLYEOPYIURPNM-ZDUSSCGKSA-N 1 0 225.376 3.090 40 0 BGABRO CC1CCC(C(C)(C)OCC[NH+](C)C)CC1 ZINC000001700043 168149724 /nfs/dbraw/zinc/14/97/24/168149724.db2.gz AVDHTNPOANKMET-UHFFFAOYSA-N 1 0 227.392 3.170 40 0 BGABRO CC(C)CCC[C@@H](C)CCOCC[NH+](C)C ZINC000001700044 383925813 /nfs/dbraw/zinc/92/58/13/383925813.db2.gz BZISEZPGFUUYAR-CQSZACIVSA-N 1 0 229.408 3.417 40 0 BGABRO CC[NH+](CC)CCNc1ccccc1Cl ZINC000001700912 362917384 /nfs/dbraw/zinc/91/73/84/362917384.db2.gz WVRLJKAVJAFBPP-UHFFFAOYSA-N 1 0 226.751 3.094 40 0 BGABRO C[NH+](C)CCC(=O)c1csc2ccccc12 ZINC000001701103 383925559 /nfs/dbraw/zinc/92/55/59/383925559.db2.gz JUMZAXKZCSNJAR-UHFFFAOYSA-N 1 0 233.336 3.036 40 0 BGABRO Clc1cccc(Cl)c1C[n+]1ccccc1 ZINC000001708651 342710405 /nfs/dbraw/zinc/71/04/05/342710405.db2.gz MACKPYHJBDUXGK-UHFFFAOYSA-N 1 0 239.125 3.329 40 0 BGABRO CC[NH+](CC)CCC[C@H](C)Nc1ccccn1 ZINC000001708758 342710499 /nfs/dbraw/zinc/71/04/99/342710499.db2.gz APSIOSFIDTXPHC-ZDUSSCGKSA-N 1 0 235.375 3.004 40 0 BGABRO COC1=CC(C)(C)C2=C(C[N@H+](C)CC2)C1(C)C ZINC000001708827 174014634 /nfs/dbraw/zinc/01/46/34/174014634.db2.gz QXCPCZMWMWFABP-UHFFFAOYSA-N 1 0 235.371 3.215 40 0 BGABRO C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000001710062 173201569 /nfs/dbraw/zinc/20/15/69/173201569.db2.gz HPEXVHVTTFAFRF-UHFFFAOYSA-N 1 0 209.292 3.299 40 0 BGABRO CC(=O)Oc1ccccc1C[NH2+]C1CCCCC1 ZINC000001710456 383928955 /nfs/dbraw/zinc/92/89/55/383928955.db2.gz GOEWSTDLUOCLBN-UHFFFAOYSA-N 1 0 247.338 3.034 40 0 BGABRO CCCC[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000001711285 342710702 /nfs/dbraw/zinc/71/07/02/342710702.db2.gz VTTMVPWSQSEESE-UHFFFAOYSA-N 1 0 235.327 3.037 40 0 BGABRO CCCC[n+]1cccc(C(=O)c2ccccc2)c1 ZINC000001712163 342710784 /nfs/dbraw/zinc/71/07/84/342710784.db2.gz CGEXCQPDGDCQCR-UHFFFAOYSA-N 1 0 240.326 3.005 40 0 BGABRO CC[N@H+](C[C@@H](C)O)C(CC(C)C)CC(C)C ZINC000001714557 383928720 /nfs/dbraw/zinc/92/87/20/383928720.db2.gz UTNGELYRRRUWGA-CYBMUJFWSA-N 1 0 229.408 3.150 40 0 BGABRO CCCCCC(CCCCC)[NH2+]C[C@@H](C)O ZINC000001714558 342710695 /nfs/dbraw/zinc/71/06/95/342710695.db2.gz MCYMLWLSWVYZEU-CYBMUJFWSA-N 1 0 229.408 3.486 40 0 BGABRO CC(C)CCC(CCC(C)C)[NH2+]C[C@H](C)O ZINC000001714559 342710768 /nfs/dbraw/zinc/71/07/68/342710768.db2.gz MHKSCBBFDMYWDJ-ZDUSSCGKSA-N 1 0 229.408 3.198 40 0 BGABRO CC(C)CC(CC(C)C)[N@H+](C)C(C)(C)O ZINC000001716869 342710943 /nfs/dbraw/zinc/71/09/43/342710943.db2.gz SDJRSFJFKAZPLI-UHFFFAOYSA-N 1 0 215.381 3.107 40 0 BGABRO C[NH+](C)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001720238 342711097 /nfs/dbraw/zinc/71/10/97/342711097.db2.gz MLJRRPFUCGOHPB-JKSUJKDBSA-N 1 0 241.334 3.023 40 0 BGABRO C[NH+](C)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001720239 342711063 /nfs/dbraw/zinc/71/10/63/342711063.db2.gz MLJRRPFUCGOHPB-HZPDHXFCSA-N 1 0 241.334 3.023 40 0 BGABRO C[NH+](C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001720240 342711212 /nfs/dbraw/zinc/71/12/12/342711212.db2.gz MLJRRPFUCGOHPB-HOTGVXAUSA-N 1 0 241.334 3.023 40 0 BGABRO C[NH+](C)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001720241 342711086 /nfs/dbraw/zinc/71/10/86/342711086.db2.gz MLJRRPFUCGOHPB-CVEARBPZSA-N 1 0 241.334 3.023 40 0 BGABRO C[n+]1cc(-c2ccccc2)cc2ccccc21 ZINC000001722726 383931609 /nfs/dbraw/zinc/93/16/09/383931609.db2.gz UGXIYSRMOHGOML-UHFFFAOYSA-N 1 0 220.295 3.331 40 0 BGABRO CC[NH+](CC)CCC(=O)c1ccc(Cl)cc1 ZINC000001724536 346470855 /nfs/dbraw/zinc/47/08/55/346470855.db2.gz LNZLRGODGSSLBH-UHFFFAOYSA-N 1 0 239.746 3.255 40 0 BGABRO C[n+]1c2ccccc2ccc1-c1ccccc1F ZINC000001724710 383931051 /nfs/dbraw/zinc/93/10/51/383931051.db2.gz SGYYYMFAWPMMTN-UHFFFAOYSA-N 1 0 238.285 3.470 40 0 BGABRO C[n+]1c2ccccc2ccc1-c1ccccc1 ZINC000001724713 188274252 /nfs/dbraw/zinc/27/42/52/188274252.db2.gz WRERZQSQSSQQKQ-UHFFFAOYSA-N 1 0 220.295 3.331 40 0 BGABRO C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000001726143 173060318 /nfs/dbraw/zinc/06/03/18/173060318.db2.gz RIEICTJOEICJJT-NSHDSACASA-N 1 0 240.144 3.216 40 0 BGABRO C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000001726146 173058656 /nfs/dbraw/zinc/05/86/56/173058656.db2.gz QAZCRNJXPUNPSE-NSHDSACASA-N 1 0 240.144 3.216 40 0 BGABRO c1ccc2c(c1)[nH]c1cc3c(cc12)C=[NH+]CC3 ZINC000001726286 188273911 /nfs/dbraw/zinc/27/39/11/188273911.db2.gz MBTLZCVRXCMMFL-UHFFFAOYSA-N 1 0 220.275 3.296 40 0 BGABRO CC[C@H]([NH3+])c1ccc2c3c(cccc31)CC2 ZINC000001726606 383932056 /nfs/dbraw/zinc/93/20/56/383932056.db2.gz HFJKFYLJCSNQHU-AWEZNQCLSA-N 1 0 211.308 3.348 40 0 BGABRO C[C@]12CC3CC(SCC[NH3+])(C1)C[C@@](C)(C3)C2 ZINC000001733125 342711609 /nfs/dbraw/zinc/71/16/09/342711609.db2.gz PJNLZPUPVVRWDL-AKJUYKBHSA-N 1 0 239.428 3.427 40 0 BGABRO C[NH+](C)CC(C)(C)C(=O)c1ccc(Cl)cc1 ZINC000001735253 388587028 /nfs/dbraw/zinc/58/70/28/388587028.db2.gz PPLOMJPQAXICIE-UHFFFAOYSA-N 1 0 239.746 3.111 40 0 BGABRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001748044 176765195 /nfs/dbraw/zinc/76/51/95/176765195.db2.gz QTSZOGCIAOJLQV-XJKSGUPXSA-N 1 0 225.335 3.360 40 0 BGABRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001748047 383933609 /nfs/dbraw/zinc/93/36/09/383933609.db2.gz QTSZOGCIAOJLQV-CZUORRHYSA-N 1 0 225.335 3.360 40 0 BGABRO C[C@H]([NH3+])[C@H](Cc1ccccc1)c1ccccc1 ZINC000001748050 342711982 /nfs/dbraw/zinc/71/19/82/342711982.db2.gz QTSZOGCIAOJLQV-BBRMVZONSA-N 1 0 225.335 3.360 40 0 BGABRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)c1ccccc1 ZINC000001748053 175812456 /nfs/dbraw/zinc/81/24/56/175812456.db2.gz QTSZOGCIAOJLQV-CJNGLKHVSA-N 1 0 225.335 3.360 40 0 BGABRO CCO[C@@H](C[NH+](CC)CC)c1ccccc1 ZINC000001755493 383933830 /nfs/dbraw/zinc/93/38/30/383933830.db2.gz NOGFDYMKSGPOPK-AWEZNQCLSA-N 1 0 221.344 3.106 40 0 BGABRO CCO[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001755766 383935835 /nfs/dbraw/zinc/93/58/35/383935835.db2.gz DJPRTXZOLYBPCP-HNNXBMFYSA-N 1 0 233.355 3.250 40 0 BGABRO C(=C/c1ccccc1)\C[NH+]1CCCCC1 ZINC000001842970 346478145 /nfs/dbraw/zinc/47/81/45/346478145.db2.gz ZJNARIDKWBUMOZ-JXMROGBWSA-N 1 0 201.313 3.186 40 0 BGABRO Cc1cccc(C(C)(C)C)c1OCC[NH+](C)C ZINC000001845583 179026559 /nfs/dbraw/zinc/02/65/59/179026559.db2.gz FDUUTPONCLIADZ-UHFFFAOYSA-N 1 0 235.371 3.233 40 0 BGABRO CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000001853917 169207965 /nfs/dbraw/zinc/20/79/65/169207965.db2.gz QUINYXBLBBTXOG-NSHDSACASA-N 1 0 249.354 3.033 40 0 BGABRO Cn1c(-c2ccccc2)cc2cc(C[NH3+])ccc21 ZINC000001859275 342713136 /nfs/dbraw/zinc/71/31/36/342713136.db2.gz KCNUZZGSHOEFSR-UHFFFAOYSA-N 1 0 236.318 3.304 40 0 BGABRO Clc1ccc([C@@H]2C3CC[NH+]2CC3)cc1 ZINC000001865619 342713086 /nfs/dbraw/zinc/71/30/86/342713086.db2.gz SKJPSJXCJUNGAY-GFCCVEGCSA-N 1 0 207.704 3.107 40 0 BGABRO C[NH+](C)C1(c2ccc3ccccc3c2)CSC1 ZINC000001869765 383937792 /nfs/dbraw/zinc/93/77/92/383937792.db2.gz VFEOMGQQESHIDT-UHFFFAOYSA-N 1 0 243.375 3.344 40 0 BGABRO C=CC(=O)OCCC[NH+](CCCC)CCCC ZINC000001871179 342713209 /nfs/dbraw/zinc/71/32/09/342713209.db2.gz SYRNSZXGMVNJOL-UHFFFAOYSA-N 1 0 241.375 3.008 40 0 BGABRO CC[NH+](CC)CCc1c[nH]c2ccccc12 ZINC000001999162 362364227 /nfs/dbraw/zinc/36/42/27/362364227.db2.gz LSSUMOWDTKZHHT-UHFFFAOYSA-N 1 0 216.328 3.052 40 0 in-man BGABRO C[C@H]([NH3+])c1ccc(OC2CCCC2)cc1 ZINC000002020665 176776822 /nfs/dbraw/zinc/77/68/22/176776822.db2.gz KNECCLNJJLLHAO-JTQLQIEISA-N 1 0 205.301 3.028 40 0 BGABRO C[C@@H]([NH3+])c1ccc(OC2CCCC2)cc1 ZINC000002020666 384510940 /nfs/dbraw/zinc/51/09/40/384510940.db2.gz KNECCLNJJLLHAO-SNVBAGLBSA-N 1 0 205.301 3.028 40 0 BGABRO Clc1ccc(C[n+]2ccccc2)cc1Cl ZINC000002022235 526952642 /nfs/dbraw/zinc/95/26/42/526952642.db2.gz LBROXKUGWFNBRR-UHFFFAOYSA-N 1 0 239.125 3.329 40 0 BGABRO Clc1ccc([C@H]2C3CC[NH+]2CC3)cc1 ZINC000002027833 342714712 /nfs/dbraw/zinc/71/47/12/342714712.db2.gz SKJPSJXCJUNGAY-LBPRGKRZSA-N 1 0 207.704 3.107 40 0 BGABRO CCCCc1[nH+]c(N)cc2ccccc21 ZINC000002028355 169026622 /nfs/dbraw/zinc/02/66/22/169026622.db2.gz MSKJXZSRLUEWJB-UHFFFAOYSA-N 1 0 200.285 3.160 40 0 BGABRO CCO[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002033740 342714905 /nfs/dbraw/zinc/71/49/05/342714905.db2.gz DJPRTXZOLYBPCP-OAHLLOKOSA-N 1 0 233.355 3.250 40 0 BGABRO CCO[C@H](C[NH+](CC)CC)c1ccccc1 ZINC000002033763 342714890 /nfs/dbraw/zinc/71/48/90/342714890.db2.gz NOGFDYMKSGPOPK-CQSZACIVSA-N 1 0 221.344 3.106 40 0 BGABRO C[NH2+]C[C@@H](C)CN1CCCCCc2ccccc21 ZINC000002036992 173364324 /nfs/dbraw/zinc/36/43/24/173364324.db2.gz OAQMWZHBXYUKEA-CQSZACIVSA-N 1 0 246.398 3.075 40 0 BGABRO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000002041818 173172022 /nfs/dbraw/zinc/17/20/22/173172022.db2.gz MKANNBGMJZQSFY-INIZCTEOSA-N 1 0 223.319 3.264 40 0 BGABRO C[NH+](C)C[C@@H](O)c1ccc(Cl)c2ccccc21 ZINC000002041973 383945859 /nfs/dbraw/zinc/94/58/59/383945859.db2.gz XLDAMPBKFZDRSB-CQSZACIVSA-N 1 0 249.741 3.088 40 0 in-vitro BGABRO C[NH+](C)CCC[C@@H](O)c1cccc2ccccc21 ZINC000002042558 383946843 /nfs/dbraw/zinc/94/68/43/383946843.db2.gz RPFVNLVUFWTWNR-MRXNPFEDSA-N 1 0 243.350 3.215 40 0 BGABRO CC(C)CCC[C@H](C)CCOCC[NH+](C)C ZINC000002042917 383946645 /nfs/dbraw/zinc/94/66/45/383946645.db2.gz BZISEZPGFUUYAR-AWEZNQCLSA-N 1 0 229.408 3.417 40 0 BGABRO CC1=CC[C@@H](C(C)(C)OCC[NH+](C)C)CC1 ZINC000002042918 168116547 /nfs/dbraw/zinc/11/65/47/168116547.db2.gz OJLYEOPYIURPNM-CYBMUJFWSA-N 1 0 225.376 3.090 40 0 BGABRO C[C@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC000002047993 177100132 /nfs/dbraw/zinc/10/01/32/177100132.db2.gz BEKPUUDFAWJFNE-AWEZNQCLSA-N 1 0 217.356 3.351 40 0 BGABRO Cl/C(=C\C=[N+]1CCCC1)c1ccccc1 ZINC000002146446 342716282 /nfs/dbraw/zinc/71/62/82/342716282.db2.gz NFDAOGQSRGKBCD-JYRVWZFOSA-N 1 0 220.723 3.143 40 0 BGABRO FC(F)(F)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000002383346 383962339 /nfs/dbraw/zinc/96/23/39/383962339.db2.gz NAAXALWMZKHEHY-SNVBAGLBSA-N 1 0 229.245 3.172 40 0 BGABRO Cc1ccc(-c2cc[n+]3ccccc3n2)c(C)c1 ZINC000002385047 178323042 /nfs/dbraw/zinc/32/30/42/178323042.db2.gz ZSBLIDPCHIIWOF-UHFFFAOYSA-N 1 0 235.310 3.104 40 0 BGABRO c1ccc2c(c1)C[NH2+]C1(CCCCC1)C2 ZINC000002479993 384571593 /nfs/dbraw/zinc/57/15/93/384571593.db2.gz WPELIEJDHQAGSX-UHFFFAOYSA-N 1 0 201.313 3.035 40 0 BGABRO CSc1scc(C)[n+]1-c1ccc(C)cc1 ZINC000002507562 175593390 /nfs/dbraw/zinc/59/33/90/175593390.db2.gz WMMFOTONZIJRJY-UHFFFAOYSA-N 1 0 236.385 3.364 40 0 BGABRO C[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000002509488 173359546 /nfs/dbraw/zinc/35/95/46/173359546.db2.gz BRJKEMHRRBVZST-UHFFFAOYSA-N 1 0 241.334 3.028 40 0 BGABRO Clc1ccccc1SC1CC[NH2+]CC1 ZINC000002513161 342721783 /nfs/dbraw/zinc/72/17/83/342721783.db2.gz YVEWOEKFMUSARB-UHFFFAOYSA-N 1 0 227.760 3.184 40 0 BGABRO Fc1ccc([C@@H]2C[NH2+]CCc3ccccc32)cc1 ZINC000002513770 180982382 /nfs/dbraw/zinc/98/23/82/180982382.db2.gz GBBVQEALALXZDI-INIZCTEOSA-N 1 0 241.309 3.103 40 0 BGABRO CCCCCCOc1ccc(C[NH3+])cc1 ZINC000002524625 371568329 /nfs/dbraw/zinc/56/83/29/371568329.db2.gz ACNSGHYWIIECBM-UHFFFAOYSA-N 1 0 207.317 3.104 40 0 BGABRO c1sc2ccccc2c1C1CC[NH2+]CC1 ZINC000002527192 183437523 /nfs/dbraw/zinc/43/75/23/183437523.db2.gz DBUIVKOQVKOJGV-UHFFFAOYSA-N 1 0 217.337 3.368 40 0 BGABRO CC(C)(C)c1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000002527199 369062975 /nfs/dbraw/zinc/06/29/75/369062975.db2.gz MCJIHTROHUEPAL-UHFFFAOYSA-N 1 0 245.366 3.166 40 0 BGABRO c1csc(-c2ccc(C3CC[NH2+]CC3)nc2)c1 ZINC000002527201 183514523 /nfs/dbraw/zinc/51/45/23/183514523.db2.gz XEBQCIIJRAKCCN-UHFFFAOYSA-N 1 0 244.363 3.277 40 0 BGABRO Clc1ccc2c(c1)[nH]cc2C1CC[NH2+]CC1 ZINC000002527205 353476155 /nfs/dbraw/zinc/47/61/55/353476155.db2.gz UUUZYHSWCJGNBA-UHFFFAOYSA-N 1 0 234.730 3.288 40 0 BGABRO Cc1cc[n+](CCC(C)C)c2ccccc12 ZINC000002528006 178309547 /nfs/dbraw/zinc/30/95/47/178309547.db2.gz PHDLTFAIXZBOLP-UHFFFAOYSA-N 1 0 214.332 3.482 40 0 BGABRO COc1ccc2[nH]cc(CC[N@H+](C)C(C)C)c2c1 ZINC000002539072 175202832 /nfs/dbraw/zinc/20/28/32/175202832.db2.gz HEDOODBJFVUQMS-UHFFFAOYSA-N 1 0 246.354 3.059 40 0 in-vitro BGABRO Cc1ccc(/C(Cl)=C/C=[N+]2CCCC2)cc1 ZINC000002557623 178351668 /nfs/dbraw/zinc/35/16/68/178351668.db2.gz LYEIQIUNKGIKOY-ZSOIEALJSA-N 1 0 234.750 3.452 40 0 BGABRO CCCCOc1ccc(CC[NH3+])cc1Cl ZINC000002566846 357337375 /nfs/dbraw/zinc/33/73/75/357337375.db2.gz VGPBDBGROSTSGL-UHFFFAOYSA-N 1 0 227.735 3.020 40 0 BGABRO C[C@H]([NH2+]C(C)(C)C)[C@@H](O)c1cccc(Cl)c1 ZINC000002570876 383979161 /nfs/dbraw/zinc/97/91/61/383979161.db2.gz NDPTTXIBLSWNSF-JOYOIKCWSA-N 1 0 241.762 3.150 40 0 endogenous,in-man BGABRO C[C@H]([NH2+]C(C)(C)C)[C@H](O)c1cccc(Cl)c1 ZINC000002570889 176823813 /nfs/dbraw/zinc/82/38/13/176823813.db2.gz NDPTTXIBLSWNSF-CABZTGNLSA-N 1 0 241.762 3.150 40 0 endogenous,in-man BGABRO C=Cc1ccccc1CC[NH+](CC)CC ZINC000002575713 383978600 /nfs/dbraw/zinc/97/86/00/383978600.db2.gz FNVYPBVIZWQFOT-UHFFFAOYSA-N 1 0 203.329 3.214 40 0 BGABRO C[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000002576579 173388203 /nfs/dbraw/zinc/38/82/03/173388203.db2.gz ITCMBYFNOSOHAZ-UHFFFAOYSA-N 1 0 215.271 3.212 40 0 BGABRO FC(F)(F)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000002577384 383978659 /nfs/dbraw/zinc/97/86/59/383978659.db2.gz DPGBDWYHWVSZPK-SNVBAGLBSA-N 1 0 229.245 3.172 40 0 BGABRO FC(F)(F)c1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000002577385 383977656 /nfs/dbraw/zinc/97/76/56/383977656.db2.gz GMBXLAPSTOMCJI-SECBINFHSA-N 1 0 229.245 3.172 40 0 BGABRO CC(C)c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000002599103 342725967 /nfs/dbraw/zinc/72/59/67/342725967.db2.gz XCYBFXZGVQDMFZ-UHFFFAOYSA-N 1 0 230.355 3.395 40 0 BGABRO C[NH2+]CC1c2ccccc2-c2ccccc21 ZINC000002599314 173338749 /nfs/dbraw/zinc/33/87/49/173338749.db2.gz FBSAGIUUWCAGIU-UHFFFAOYSA-N 1 0 209.292 3.018 40 0 BGABRO CCCCCOc1ccc(CC[NH3+])cc1Cl ZINC000003023954 371844801 /nfs/dbraw/zinc/84/48/01/371844801.db2.gz ZRHMJOCCHGSGSA-UHFFFAOYSA-N 1 0 241.762 3.410 40 0 BGABRO CCC1(CC)c2ccccc2[N+](C)=C1C ZINC000003068480 388362980 /nfs/dbraw/zinc/36/29/80/388362980.db2.gz BBVSHQVJVVQWPK-UHFFFAOYSA-N 1 0 202.321 3.493 40 0 BGABRO C[C@H]1C[N@@H+]2CCC3=C(CCCC3)[C@@]2(C)C1 ZINC000003162923 177279176 /nfs/dbraw/zinc/27/91/76/177279176.db2.gz FXSQRFSIGSPDCD-BXUZGUMPSA-N 1 0 205.345 3.361 40 0 BGABRO C[NH2+]CCc1csc2ccc(Cl)cc12 ZINC000003615087 173361273 /nfs/dbraw/zinc/36/12/73/173361273.db2.gz SRUXXHQEPQJLHW-UHFFFAOYSA-N 1 0 225.744 3.317 40 0 BGABRO C[NH+](C)[C@@]1(C)Cc2ccccc2C(C)(C)C1 ZINC000003625819 342735184 /nfs/dbraw/zinc/73/51/84/342735184.db2.gz SJQFKVWJRCCRTM-HNNXBMFYSA-N 1 0 217.356 3.231 40 0 BGABRO O=C(CC[NH+]1CCCCCC1)c1ccccc1 ZINC000003631331 372035316 /nfs/dbraw/zinc/03/53/16/372035316.db2.gz GAWIINVGWPHVKR-UHFFFAOYSA-N 1 0 231.339 3.135 40 0 BGABRO Oc1cccc([C@@H]2C[NH2+]C3(CCCCCC3)O2)c1 ZINC000003649813 183293697 /nfs/dbraw/zinc/29/36/97/183293697.db2.gz AJNAKEPPGKJNKU-AWEZNQCLSA-N 1 0 247.338 3.104 40 0 in-man BGABRO Clc1cccc([C@H]2CCC[NH2+]2)c1Cl ZINC000003732266 180591821 /nfs/dbraw/zinc/59/18/21/180591821.db2.gz HZVTWBMAMRYGPD-SECBINFHSA-N 1 0 216.111 3.418 40 0 BGABRO Clc1cccc([C@@H]2CCC[NH2+]2)c1Cl ZINC000003732267 342737091 /nfs/dbraw/zinc/73/70/91/342737091.db2.gz HZVTWBMAMRYGPD-VIFPVBQESA-N 1 0 216.111 3.418 40 0 BGABRO Clc1ccc(Cl)c([C@H]2CCC[NH2+]2)c1 ZINC000003732352 180581503 /nfs/dbraw/zinc/58/15/03/180581503.db2.gz QPWHFAUOXMVIQL-SNVBAGLBSA-N 1 0 216.111 3.418 40 0 BGABRO Clc1ccc(Cl)c([C@@H]2CCC[NH2+]2)c1 ZINC000003732353 342737211 /nfs/dbraw/zinc/73/72/11/342737211.db2.gz QPWHFAUOXMVIQL-JTQLQIEISA-N 1 0 216.111 3.418 40 0 BGABRO CC(C)(C)c1ccc([C@H]([NH3+])C2CC2)cc1 ZINC000003739180 188103621 /nfs/dbraw/zinc/10/36/21/188103621.db2.gz SYKZFTSYWHLYJO-CYBMUJFWSA-N 1 0 203.329 3.394 40 0 BGABRO CC(C)(C)c1ccc([C@@H]([NH3+])C2CC2)cc1 ZINC000003739181 398100356 /nfs/dbraw/zinc/10/03/56/398100356.db2.gz SYKZFTSYWHLYJO-ZDUSSCGKSA-N 1 0 203.329 3.394 40 0 BGABRO COc1ccc(C(=[NH2+])c2ccc(OC)cc2)cc1 ZINC000003881175 175052425 /nfs/dbraw/zinc/05/24/25/175052425.db2.gz ZNVJSFDXRAUTHS-UHFFFAOYSA-N 1 0 241.290 3.120 40 0 BGABRO c1ccc2c(c1)C1c3ccccc3C2[C@@H]2C[NH2+]C[C@@H]21 ZINC000003950331 385130468 /nfs/dbraw/zinc/13/04/68/385130468.db2.gz ZLICBEFTGDELDU-OQSMONGASA-N 1 0 247.341 3.113 40 0 BGABRO [NH3+]CCCc1ccc2oc3ccccc3c2c1 ZINC000003954185 187757102 /nfs/dbraw/zinc/75/71/02/187757102.db2.gz ONZUVBIRFGEMFU-UHFFFAOYSA-N 1 0 225.291 3.477 40 0 in-vitro BGABRO CC(C)[N@@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@H]1C ZINC000003997075 167031064 /nfs/dbraw/zinc/03/10/64/167031064.db2.gz SIPPYVOQXDDGOR-IIAWOOMASA-N 1 0 247.382 3.013 40 0 BGABRO CC(C)[N@@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@H]1C ZINC000003997076 167030896 /nfs/dbraw/zinc/03/08/96/167030896.db2.gz SIPPYVOQXDDGOR-FMKPAKJESA-N 1 0 247.382 3.013 40 0 BGABRO CC(C)[N@@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000003997077 167030102 /nfs/dbraw/zinc/03/01/02/167030102.db2.gz SIPPYVOQXDDGOR-YCPHGPKFSA-N 1 0 247.382 3.013 40 0 BGABRO CCC[N@@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000004031165 169210589 /nfs/dbraw/zinc/21/05/89/169210589.db2.gz NZBMCFAPUPWLPQ-YCPHGPKFSA-N 1 0 247.382 3.015 40 0 BGABRO C[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000004154657 177208041 /nfs/dbraw/zinc/20/80/41/177208041.db2.gz ZGAYFJMPZYKZAE-SMDDNHRTSA-N 1 0 205.345 3.361 40 0 BGABRO C[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000004154658 176219034 /nfs/dbraw/zinc/21/90/34/176219034.db2.gz ZGAYFJMPZYKZAE-RISCZKNCSA-N 1 0 205.345 3.361 40 0 BGABRO C[C@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000004154659 188275373 /nfs/dbraw/zinc/27/53/73/188275373.db2.gz ZGAYFJMPZYKZAE-FZMZJTMJSA-N 1 0 205.345 3.361 40 0 BGABRO Cc1ccc2sc(C[NH+](C)C)cc2c1 ZINC000004291266 342746311 /nfs/dbraw/zinc/74/63/11/342746311.db2.gz PLFALEXIBRJFPD-UHFFFAOYSA-N 1 0 205.326 3.271 40 0 BGABRO FC(F)(F)Oc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000004299181 180887891 /nfs/dbraw/zinc/88/78/91/180887891.db2.gz XCKVCAOSVNOPOM-JTQLQIEISA-N 1 0 231.217 3.010 40 0 BGABRO FC(F)(F)Oc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000004299182 388398482 /nfs/dbraw/zinc/39/84/82/388398482.db2.gz XCKVCAOSVNOPOM-SNVBAGLBSA-N 1 0 231.217 3.010 40 0 BGABRO FC(F)(F)Oc1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000004299183 384052468 /nfs/dbraw/zinc/05/24/68/384052468.db2.gz SDVTXUXMZFMOFC-JTQLQIEISA-N 1 0 231.217 3.010 40 0 BGABRO FC(F)(F)Oc1cccc([C@H]2CCC[NH2+]2)c1 ZINC000004299184 384054473 /nfs/dbraw/zinc/05/44/73/384054473.db2.gz SDVTXUXMZFMOFC-SNVBAGLBSA-N 1 0 231.217 3.010 40 0 BGABRO FC(F)(F)Oc1ccccc1[C@@H]1CCC[NH2+]1 ZINC000004299185 180888145 /nfs/dbraw/zinc/88/81/45/180888145.db2.gz ALOSDGPETUPJRG-VIFPVBQESA-N 1 0 231.217 3.010 40 0 BGABRO FC(F)(F)Oc1ccccc1[C@H]1CCC[NH2+]1 ZINC000004299186 384052691 /nfs/dbraw/zinc/05/26/91/384052691.db2.gz ALOSDGPETUPJRG-SECBINFHSA-N 1 0 231.217 3.010 40 0 BGABRO Clc1cc(Cl)cc(NC2CC[NH2+]CC2)c1 ZINC000004312821 357337723 /nfs/dbraw/zinc/33/77/23/357337723.db2.gz FEDXIGHXPGODKT-UHFFFAOYSA-N 1 0 245.153 3.157 40 0 BGABRO Clc1ccc(NC2CC[NH2+]CC2)cc1Cl ZINC000004312823 342746480 /nfs/dbraw/zinc/74/64/80/342746480.db2.gz DIERXBUIDJOGAB-UHFFFAOYSA-N 1 0 245.153 3.157 40 0 BGABRO CCOc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000004312895 342746487 /nfs/dbraw/zinc/74/64/87/342746487.db2.gz CZTBVVVUOVBPAL-MRXNPFEDSA-N 1 0 241.334 3.442 40 0 BGABRO CCOc1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000004312896 342746631 /nfs/dbraw/zinc/74/66/31/342746631.db2.gz CZTBVVVUOVBPAL-INIZCTEOSA-N 1 0 241.334 3.442 40 0 BGABRO C[NH+](C)CCCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000004416397 384061171 /nfs/dbraw/zinc/06/11/71/384061171.db2.gz BAXMIWHIEJSKBI-GZBFAFLISA-N 1 0 239.403 3.170 40 0 BGABRO C[NH+](C)CCCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004416398 384061269 /nfs/dbraw/zinc/06/12/69/384061269.db2.gz BAXMIWHIEJSKBI-NFAWXSAZSA-N 1 0 239.403 3.170 40 0 BGABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC[NH+](C)C ZINC000004416401 187247169 /nfs/dbraw/zinc/24/71/69/187247169.db2.gz HZQPZCBCRCLVNU-MGPQQGTHSA-N 1 0 227.392 3.025 40 0 BGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC[NH+](C)C ZINC000004416403 188276499 /nfs/dbraw/zinc/27/64/99/188276499.db2.gz HZQPZCBCRCLVNU-BFHYXJOUSA-N 1 0 227.392 3.025 40 0 BGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC[NH+](C)C ZINC000004416404 519803203 /nfs/dbraw/zinc/80/32/03/519803203.db2.gz HZQPZCBCRCLVNU-HZSPNIEDSA-N 1 0 227.392 3.025 40 0 BGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC[NH+](C)C ZINC000004416405 519803327 /nfs/dbraw/zinc/80/33/27/519803327.db2.gz HZQPZCBCRCLVNU-MELADBBJSA-N 1 0 227.392 3.025 40 0 BGABRO C[C@@H]1C[N@@H+](C(C)(C)C)C[C@@](O)(c2ccccc2)C1 ZINC000004462097 176266276 /nfs/dbraw/zinc/26/62/76/176266276.db2.gz OSDDHJSLXVQDID-XJKSGUPXSA-N 1 0 247.382 3.015 40 0 BGABRO C[C@H]1C[N@@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1 ZINC000004462101 177232696 /nfs/dbraw/zinc/23/26/96/177232696.db2.gz OSDDHJSLXVQDID-CJNGLKHVSA-N 1 0 247.382 3.015 40 0 BGABRO CCCC[n+]1c(C)sc2cc(OC)ccc21 ZINC000004535107 187247162 /nfs/dbraw/zinc/24/71/62/187247162.db2.gz HBQMWGYXOHZVDJ-UHFFFAOYSA-N 1 0 236.360 3.306 40 0 BGABRO c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000004578924 183395281 /nfs/dbraw/zinc/39/52/81/183395281.db2.gz UOJWJKSWEPSVQD-RRFJBIMHSA-N 1 0 215.340 3.007 40 0 BGABRO c1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000004578925 183395162 /nfs/dbraw/zinc/39/51/62/183395162.db2.gz UOJWJKSWEPSVQD-ZNMIVQPWSA-N 1 0 215.340 3.007 40 0 BGABRO Oc1cccc([C@H]2C[NH2+]C3(CCCCCC3)O2)c1 ZINC000004626626 183293792 /nfs/dbraw/zinc/29/37/92/183293792.db2.gz AJNAKEPPGKJNKU-CQSZACIVSA-N 1 0 247.338 3.104 40 0 in-man BGABRO C[n+]1ccc(/C=C\c2ccncc2)c2ccccc21 ZINC000004691863 177500887 /nfs/dbraw/zinc/50/08/87/177500887.db2.gz MOXHRJSLUAOTOQ-SREVYHEPSA-N 1 0 247.321 3.230 40 0 BGABRO C(=C\c1ccccc1)\C[NH+]1CCCCC1 ZINC000004692017 166228107 /nfs/dbraw/zinc/22/81/07/166228107.db2.gz ZJNARIDKWBUMOZ-YFHOEESVSA-N 1 0 201.313 3.186 40 0 BGABRO CCCCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004721588 342751171 /nfs/dbraw/zinc/75/11/71/342751171.db2.gz HMZMVVPZYAUFKA-NMWPEEMBSA-N 1 0 219.372 3.321 40 0 BGABRO C[C@@H]1C[N@@H+]2CCC3=C(CCCC3)[C@@]2(C)C1 ZINC000004725782 176323595 /nfs/dbraw/zinc/32/35/95/176323595.db2.gz FXSQRFSIGSPDCD-SMDDNHRTSA-N 1 0 205.345 3.361 40 0 BGABRO C[C@H]1C[N@@H+]2CCC3=C(CCCC3)[C@]2(C)C1 ZINC000004725783 177278728 /nfs/dbraw/zinc/27/87/28/177278728.db2.gz FXSQRFSIGSPDCD-RISCZKNCSA-N 1 0 205.345 3.361 40 0 BGABRO C[C@@H]1C[N@@H+]2CCC3=C(CCCC3)[C@]2(C)C1 ZINC000004725784 176323495 /nfs/dbraw/zinc/32/34/95/176323495.db2.gz FXSQRFSIGSPDCD-FZMZJTMJSA-N 1 0 205.345 3.361 40 0 BGABRO CCC[C@@]12CCC[N@@H+]1CCc1ccccc12 ZINC000004759651 384081243 /nfs/dbraw/zinc/08/12/43/384081243.db2.gz KJRHCRGQKRREGV-HNNXBMFYSA-N 1 0 215.340 3.334 40 0 BGABRO CCC[C@]12CCC[N@@H+]1CCc1ccccc12 ZINC000004759653 342751806 /nfs/dbraw/zinc/75/18/06/342751806.db2.gz KJRHCRGQKRREGV-OAHLLOKOSA-N 1 0 215.340 3.334 40 0 BGABRO N#[N+]c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000004775366 259301761 /nfs/dbraw/zinc/30/17/61/259301761.db2.gz MMMMLWRSROWECG-UHFFFAOYSA-N 1 0 207.212 3.383 40 0 BGABRO [NH3+]CCCc1ccc2c(c1)oc1ccccc12 ZINC000004802611 187928635 /nfs/dbraw/zinc/92/86/35/187928635.db2.gz CCXBVNQOZFQBQV-UHFFFAOYSA-N 1 0 225.291 3.477 40 0 BGABRO c1ccc2c(c1)NC[C@H]2CC[NH+]1CCCCC1 ZINC000004824541 384084513 /nfs/dbraw/zinc/08/45/13/384084513.db2.gz NPOWDFUKDKZAES-CYBMUJFWSA-N 1 0 230.355 3.072 40 0 BGABRO CC1=C[C@@H](C)[C@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC000004844214 168124947 /nfs/dbraw/zinc/12/49/47/168124947.db2.gz LYDDCMLXSZPXMZ-MCIONIFRSA-N 1 0 209.377 3.470 40 0 BGABRO CC1=C[C@@H](C)[C@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC000004844215 168125770 /nfs/dbraw/zinc/12/57/70/168125770.db2.gz LYDDCMLXSZPXMZ-RDBSUJKOSA-N 1 0 209.377 3.470 40 0 BGABRO CC(C)Oc1c(Cl)cc(C[NH3+])cc1Cl ZINC000004866322 167285329 /nfs/dbraw/zinc/28/53/29/167285329.db2.gz KNMXQBBUXZJPRH-UHFFFAOYSA-N 1 0 234.126 3.239 40 0 BGABRO CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl ZINC000004897266 187247532 /nfs/dbraw/zinc/24/75/32/187247532.db2.gz QPYSOGNNDHFUJT-UHFFFAOYSA-O 1 0 231.062 3.436 40 0 BGABRO CCC[C@@H]1CCCC[N@@H+]1CSCC ZINC000004901295 384088922 /nfs/dbraw/zinc/08/89/22/384088922.db2.gz DWFKBOAIKJMBGL-LLVKDONJSA-N 1 0 201.379 3.352 40 0 BGABRO Cc1cc(C)c[n+](/C=C\c2ccccc2)c1 ZINC000004917518 177888559 /nfs/dbraw/zinc/88/85/59/177888559.db2.gz JGNRQJMXYOOOJU-HJWRWDBZSA-N 1 0 210.300 3.219 40 0 BGABRO Cc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000004917926 187986657 /nfs/dbraw/zinc/98/66/57/187986657.db2.gz XIJVWVVCHCRIID-UHFFFAOYSA-N 1 0 231.339 3.054 40 0 BGABRO CC[C@@H](C)[NH2+]C/C=C/c1ccccc1OC ZINC000004919595 386482710 /nfs/dbraw/zinc/48/27/10/386482710.db2.gz QWWJFMOLVOUAJL-YPUOHESYSA-N 1 0 219.328 3.097 40 0 BGABRO CC[C@H](C)[NH2+]C/C=C/c1ccccc1OC ZINC000004919601 171339654 /nfs/dbraw/zinc/33/96/54/171339654.db2.gz QWWJFMOLVOUAJL-CRALRDPISA-N 1 0 219.328 3.097 40 0 BGABRO C[n+]1ccc(/C=C/c2ccc3ncccc3c2)cc1 ZINC000004932934 346255804 /nfs/dbraw/zinc/25/58/04/346255804.db2.gz BINLZSIBXBVTJF-UHFFFAOYSA-N 1 0 247.321 3.230 40 0 BGABRO C[n+]1ccccc1/C=C/c1ccc2ncccc2c1 ZINC000004933020 346255439 /nfs/dbraw/zinc/25/54/39/346255439.db2.gz GUNJUEZGFYLNBX-UHFFFAOYSA-N 1 0 247.321 3.230 40 0 BGABRO CC1=C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1 ZINC000004933690 168125979 /nfs/dbraw/zinc/12/59/79/168125979.db2.gz XJOOMMHNYOJWCZ-HIFRSBDPSA-N 1 0 238.334 3.068 40 0 biogenic,in-vitro BGABRO CC1=C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1 ZINC000004933691 168131721 /nfs/dbraw/zinc/13/17/21/168131721.db2.gz XJOOMMHNYOJWCZ-ZFWWWQNUSA-N 1 0 238.334 3.068 40 0 BGABRO CC1=C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000004933692 168131578 /nfs/dbraw/zinc/13/15/78/168131578.db2.gz XJOOMMHNYOJWCZ-DZGCQCFKSA-N 1 0 238.334 3.068 40 0 BGABRO CCCCC[C@@H](CC)NC1=[NH+]CCCS1 ZINC000004937040 346254986 /nfs/dbraw/zinc/25/49/86/346254986.db2.gz RZLHBHXUSDTSDT-LLVKDONJSA-N 1 0 228.405 3.428 40 0 BGABRO CCCCC[C@H](CC)NC1=[NH+]CCCS1 ZINC000004937043 168745063 /nfs/dbraw/zinc/74/50/63/168745063.db2.gz RZLHBHXUSDTSDT-NSHDSACASA-N 1 0 228.405 3.428 40 0 BGABRO O=C(c1ccccc1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004958325 342755085 /nfs/dbraw/zinc/75/50/85/342755085.db2.gz NHGFFSNZCDOCNC-HUUCEWRRSA-N 1 0 243.350 3.134 40 0 BGABRO C[C@@H]1CCC[C@@]2(C)O[C@@H](c3ccccc3)C[N@H+]12 ZINC000004975013 176134622 /nfs/dbraw/zinc/13/46/22/176134622.db2.gz SXHPSDCQZRDRFL-BPLDGKMQSA-N 1 0 231.339 3.349 40 0 BGABRO C[C@H]1CCC[C@@]2(C)O[C@@H](c3ccccc3)C[N@H+]12 ZINC000004975014 177128193 /nfs/dbraw/zinc/12/81/93/177128193.db2.gz SXHPSDCQZRDRFL-NWANDNLSSA-N 1 0 231.339 3.349 40 0 BGABRO C[C@@H]1CCC[C@]2(C)O[C@@H](c3ccccc3)C[N@H+]12 ZINC000004975015 176152765 /nfs/dbraw/zinc/15/27/65/176152765.db2.gz SXHPSDCQZRDRFL-YUELXQCFSA-N 1 0 231.339 3.349 40 0 BGABRO C[C@H]1CCC[C@]2(C)O[C@@H](c3ccccc3)C[N@H+]12 ZINC000004975016 177144359 /nfs/dbraw/zinc/14/43/59/177144359.db2.gz SXHPSDCQZRDRFL-CFVMTHIKSA-N 1 0 231.339 3.349 40 0 BGABRO CCOc1c[n+](C)c(/C=C\c2ccccc2)s1 ZINC000004976428 342755270 /nfs/dbraw/zinc/75/52/70/342755270.db2.gz RJKRWQCOTGYUOL-KTKRTIGZSA-N 1 0 246.355 3.142 40 0 BGABRO CC/[O+]=c1\cc(C)sc2ccc(C)cc21 ZINC000004990863 342755985 /nfs/dbraw/zinc/75/59/85/342755985.db2.gz RTPYMXLEQVOREV-UHFFFAOYSA-N 1 0 219.329 3.434 40 0 BGABRO CCOc1ccccc1/C=C/c1cc[n+](C)cc1 ZINC000005002257 346256415 /nfs/dbraw/zinc/25/64/15/346256415.db2.gz JMHJFPWVUKSWBX-CMDGGOBGSA-N 1 0 240.326 3.080 40 0 BGABRO CCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1 ZINC000005002260 346256542 /nfs/dbraw/zinc/25/65/42/346256542.db2.gz DQWNPFHWOLBJBM-SNAWJCMRSA-N 1 0 240.326 3.080 40 0 BGABRO C[n+]1ccc(/C=C/c2cccc(Cl)c2)cc1 ZINC000005002262 346256357 /nfs/dbraw/zinc/25/63/57/346256357.db2.gz HEAHQAGTRZLTTN-AATRIKPKSA-N 1 0 230.718 3.335 40 0 BGABRO C[n+]1ccc(/C=C/c2cc(Cl)ccc2O)cc1 ZINC000005002263 177500913 /nfs/dbraw/zinc/50/09/13/177500913.db2.gz CDIVWDSFUXVNCK-UHFFFAOYSA-O 1 0 246.717 3.041 40 0 BGABRO C[n+]1ccc(/C=C/c2cccc3cccnc23)cc1 ZINC000005002264 346256655 /nfs/dbraw/zinc/25/66/55/346256655.db2.gz KUAFEHONBRNPHS-UHFFFAOYSA-N 1 0 247.321 3.230 40 0 BGABRO Cc1ccc(/C=C/c2cc[n+](C)cc2)cc1C ZINC000005002272 187300178 /nfs/dbraw/zinc/30/01/78/187300178.db2.gz VXEWCPVGSMECFS-VOTSOKGWSA-N 1 0 224.327 3.298 40 0 BGABRO Cc1ccsc1/C=C/c1cccc[n+]1C ZINC000005002303 346256433 /nfs/dbraw/zinc/25/64/33/346256433.db2.gz MKLMULJPEBKQLM-VOTSOKGWSA-N 1 0 216.329 3.051 40 0 BGABRO C[n+]1ccccc1/C=C/c1ccccc1Cl ZINC000005002306 346257005 /nfs/dbraw/zinc/25/70/05/346257005.db2.gz RNCQKAIBZKEEJO-MDZDMXLPSA-N 1 0 230.718 3.335 40 0 BGABRO N#[N+]c1ccc2c(c1)-c1ccccc1C2=O ZINC000005004841 342756311 /nfs/dbraw/zinc/75/63/11/342756311.db2.gz AEOIJFSFPOSKPX-UHFFFAOYSA-N 1 0 207.212 3.383 40 0 BGABRO C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000005052973 173035602 /nfs/dbraw/zinc/03/56/02/173035602.db2.gz RIEICTJOEICJJT-LLVKDONJSA-N 1 0 240.144 3.216 40 0 BGABRO C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000005052976 173036871 /nfs/dbraw/zinc/03/68/71/173036871.db2.gz QAZCRNJXPUNPSE-LLVKDONJSA-N 1 0 240.144 3.216 40 0 BGABRO CC[NH2+][C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC000005065159 170155516 /nfs/dbraw/zinc/15/55/16/170155516.db2.gz IKFBPFGUINLYQI-LJISPDSOSA-N 1 0 215.340 3.178 40 0 world BGABRO CC[NH2+][C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC000005065160 170169428 /nfs/dbraw/zinc/16/94/28/170169428.db2.gz IKFBPFGUINLYQI-XGUBFFRZSA-N 1 0 215.340 3.178 40 0 world BGABRO FC(F)(F)CCC[NH2+]CCCC(F)(F)F ZINC000005112988 180878723 /nfs/dbraw/zinc/87/87/23/180878723.db2.gz ZKUUQPPGRWYGRD-UHFFFAOYSA-N 1 0 237.187 3.261 40 0 BGABRO CCOc1cc(N(CC)CC)ccc1[N+]#N ZINC000005139418 170524307 /nfs/dbraw/zinc/52/43/07/170524307.db2.gz KGEXJTVKNZBZGS-UHFFFAOYSA-N 1 0 220.296 3.416 40 0 BGABRO [NH3+]CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000005162971 384104035 /nfs/dbraw/zinc/10/40/35/384104035.db2.gz FNBHBFPBGUXPRF-ZDUSSCGKSA-N 1 0 246.741 3.216 40 0 in-vitro BGABRO [NH3+]CC[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000005162976 384103351 /nfs/dbraw/zinc/10/33/51/384103351.db2.gz FNBHBFPBGUXPRF-CYBMUJFWSA-N 1 0 246.741 3.216 40 0 in-vitro BGABRO [NH3+]C1CCC(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000005179307 181341837 /nfs/dbraw/zinc/34/18/37/181341837.db2.gz OUAUCKUMAOUUKD-XLICRZQSSA-N 1 0 207.361 3.330 40 0 BGABRO [NH3+]C1CCC(C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000005179308 181341573 /nfs/dbraw/zinc/34/15/73/181341573.db2.gz OUAUCKUMAOUUKD-NSTUHTFISA-N 1 0 207.361 3.330 40 0 BGABRO CC(C)CCC(CCC(C)C)[NH2+]C[C@@H](C)O ZINC000005452783 166797902 /nfs/dbraw/zinc/79/79/02/166797902.db2.gz MHKSCBBFDMYWDJ-CYBMUJFWSA-N 1 0 229.408 3.198 40 0 BGABRO CC[n+]1ccccc1-c1nc2ccccc2s1 ZINC000005469713 384119071 /nfs/dbraw/zinc/11/90/71/384119071.db2.gz JEUSZYQFAHJANL-UHFFFAOYSA-N 1 0 241.339 3.271 40 0 BGABRO C[NH+]1[C@H]2CCCC[C@@H]2S[C@H]2CCCC[C@@H]21 ZINC000005478187 173205379 /nfs/dbraw/zinc/20/53/79/173205379.db2.gz LMQISICJISWBIV-CYDGBPFRSA-N 1 0 225.401 3.287 40 0 BGABRO C[N@@H+]1[C@H]2CCCC[C@H]2S[C@H]2CCCC[C@@H]21 ZINC000005478189 173205651 /nfs/dbraw/zinc/20/56/51/173205651.db2.gz LMQISICJISWBIV-ZDEQEGDKSA-N 1 0 225.401 3.287 40 0 BGABRO CCCNc1cc(C)cc2[nH+]c(C)[nH]c21 ZINC000005478777 169293504 /nfs/dbraw/zinc/29/35/04/169293504.db2.gz JXEQTTPBXXKDBL-UHFFFAOYSA-N 1 0 203.289 3.002 40 0 BGABRO CC1=C[C@@H](Cc2ccccc2)[N@@H+](C)C[C@H]1C ZINC000005495699 168125672 /nfs/dbraw/zinc/12/56/72/168125672.db2.gz JASNDCLHDLQALI-HIFRSBDPSA-N 1 0 215.340 3.126 40 0 BGABRO CC1=C[C@@H](Cc2ccccc2)[N@@H+](C)C[C@@H]1C ZINC000005495700 168124743 /nfs/dbraw/zinc/12/47/43/168124743.db2.gz JASNDCLHDLQALI-ZFWWWQNUSA-N 1 0 215.340 3.126 40 0 BGABRO Cc1ccc(C2=C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1 ZINC000005496399 342764929 /nfs/dbraw/zinc/76/49/29/342764929.db2.gz LPQPLQYENZITFQ-LSDHHAIUSA-N 1 0 213.324 3.245 40 0 BGABRO C[N@H+]1[C@@H]2CCCC[C@@H]2S[C@@H]2CCCC[C@@H]21 ZINC000005510234 173205234 /nfs/dbraw/zinc/20/52/34/173205234.db2.gz LMQISICJISWBIV-FNFFVJSTSA-N 1 0 225.401 3.287 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000005521550 183398962 /nfs/dbraw/zinc/39/89/62/183398962.db2.gz AGHIVHJEYCLEOY-CABCVRRESA-N 1 0 215.340 3.451 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000005521554 183398883 /nfs/dbraw/zinc/39/88/83/183398883.db2.gz AGHIVHJEYCLEOY-GJZGRUSLSA-N 1 0 215.340 3.451 40 0 BGABRO CCCCCC(CCCCC)[NH2+]C[C@H](C)O ZINC000005523845 342765585 /nfs/dbraw/zinc/76/55/85/342765585.db2.gz MCYMLWLSWVYZEU-ZDUSSCGKSA-N 1 0 229.408 3.486 40 0 BGABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccccn1 ZINC000005561599 342765930 /nfs/dbraw/zinc/76/59/30/342765930.db2.gz APSIOSFIDTXPHC-CYBMUJFWSA-N 1 0 235.375 3.004 40 0 BGABRO CC[N@H+](C[C@H](C)O)C(CC(C)C)CC(C)C ZINC000005573442 384122375 /nfs/dbraw/zinc/12/23/75/384122375.db2.gz UTNGELYRRRUWGA-ZDUSSCGKSA-N 1 0 229.408 3.150 40 0 BGABRO CC[C@@H]([NH3+])c1ccc2c3c(cccc31)CC2 ZINC000005599383 384121751 /nfs/dbraw/zinc/12/17/51/384121751.db2.gz HFJKFYLJCSNQHU-CQSZACIVSA-N 1 0 211.308 3.348 40 0 BGABRO c1ccc(NCNc2nc3ccccc3[nH]2)cc1 ZINC000005635396 384123192 /nfs/dbraw/zinc/12/31/92/384123192.db2.gz SVZSAHUCXVFOKB-UHFFFAOYSA-N 1 0 238.294 3.044 40 0 BGABRO C[C@@H]1CCCCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000005699142 176062888 /nfs/dbraw/zinc/06/28/88/176062888.db2.gz KWHKVRPCRAWUKO-ZBFHGGJFSA-N 1 0 247.382 3.375 40 0 BGABRO C[C@H]1CCCCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000005699143 177069997 /nfs/dbraw/zinc/06/99/97/177069997.db2.gz KWHKVRPCRAWUKO-HOCLYGCPSA-N 1 0 247.382 3.375 40 0 BGABRO C[NH2+]CCCC12CC3CC(CC(C3)C1)C2 ZINC000005700547 173345085 /nfs/dbraw/zinc/34/50/85/173345085.db2.gz MVULMKAOOUHSOU-UHFFFAOYSA-N 1 0 207.361 3.202 40 0 BGABRO C[NH2+][C@@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000005734851 173414718 /nfs/dbraw/zinc/41/47/18/173414718.db2.gz LMGZYDOGXGRMSP-MWKHJINRSA-N 1 0 207.361 3.201 40 0 BGABRO C[NH2+][C@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000005751193 384126606 /nfs/dbraw/zinc/12/66/06/384126606.db2.gz LMGZYDOGXGRMSP-ZGCIAEMCSA-N 1 0 207.361 3.201 40 0 BGABRO CC(C)CCCCCCCOCCC[NH3+] ZINC000005758286 384129859 /nfs/dbraw/zinc/12/98/59/384129859.db2.gz DHIBIUNZWFPELU-UHFFFAOYSA-N 1 0 215.381 3.348 40 0 BGABRO Cc1cc[n+](Cc2cccc3ccccc32)cc1 ZINC000005793411 178308624 /nfs/dbraw/zinc/30/86/24/178308624.db2.gz ZOQQTLNIVCAYLH-UHFFFAOYSA-N 1 0 234.322 3.484 40 0 BGABRO CC[NH+](CC)Cc1cc(C)nn1-c1ccccc1 ZINC000005794711 342770033 /nfs/dbraw/zinc/77/00/33/342770033.db2.gz JQHXGGJJKCMQEE-UHFFFAOYSA-N 1 0 243.354 3.023 40 0 BGABRO Brc1ccc2n[s+]sc2c1 ZINC000005810654 166100151 /nfs/dbraw/zinc/10/01/51/166100151.db2.gz MCDRSZIANPVFBN-UHFFFAOYSA-N 1 0 233.135 3.401 40 0 BGABRO Clc1ccc(CNc2cc[nH+]cc2)cc1 ZINC000005840751 342770553 /nfs/dbraw/zinc/77/05/53/342770553.db2.gz HIALJOTZJYQLCG-UHFFFAOYSA-N 1 0 218.687 3.347 40 0 BGABRO CCN(CC)[PH+](CC)N(CC)CC ZINC000005848607 259499593 /nfs/dbraw/zinc/49/95/93/259499593.db2.gz UPPMICTXNFKBNF-UHFFFAOYSA-N 1 0 204.298 3.002 40 0 BGABRO CC[NH+](CC)c1cc2c3c(c1)CCCN3CCC2 ZINC000005854499 132318102 /nfs/dbraw/zinc/31/81/02/132318102.db2.gz CILKQWQRBJAVNK-UHFFFAOYSA-N 1 0 244.382 3.232 40 0 BGABRO Cc1cn2c(n1)Nc1sc3c(c1C2)CCCC3 ZINC000005892918 342771071 /nfs/dbraw/zinc/77/10/71/342771071.db2.gz XEACFKMRYIASEC-UHFFFAOYSA-N 1 0 245.351 3.237 40 0 BGABRO CC(C)C[NH2+]C[C@@H](O)CCCCc1ccccc1 ZINC000005962683 167005592 /nfs/dbraw/zinc/00/55/92/167005592.db2.gz XAEWWDLEYWRGRE-INIZCTEOSA-N 1 0 249.398 3.006 40 0 BGABRO C[N@H+]1CC=C(c2cccc(C(F)(F)F)c2)CC1 ZINC000005966273 362825640 /nfs/dbraw/zinc/82/56/40/362825640.db2.gz QHJMMGUDIYSLIX-UHFFFAOYSA-N 1 0 241.256 3.424 40 0 BGABRO C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000005966290 384140264 /nfs/dbraw/zinc/14/02/64/384140264.db2.gz OKEVBVYKHCFXHJ-UHFFFAOYSA-N 1 0 207.704 3.059 40 0 BGABRO CCCCCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000005973030 384141102 /nfs/dbraw/zinc/14/11/02/384141102.db2.gz HMZMVVPZYAUFKA-XGUBFFRZSA-N 1 0 219.372 3.321 40 0 BGABRO CCC[NH2+]Cc1cccn1-c1cccc(C)c1 ZINC000005978756 169267960 /nfs/dbraw/zinc/26/79/60/169267960.db2.gz FWXHAENNKJSPRW-UHFFFAOYSA-N 1 0 228.339 3.285 40 0 BGABRO C[n+]1ccccc1/C=C/c1ccc(Cl)cc1 ZINC000006232572 188103346 /nfs/dbraw/zinc/10/33/46/188103346.db2.gz APJNJBHTYWUBDE-JXMROGBWSA-N 1 0 230.718 3.335 40 0 BGABRO CC[NH+](CC)C[C@@H](O)c1ccc2ccccc2c1 ZINC000006382485 342777336 /nfs/dbraw/zinc/77/73/36/342777336.db2.gz IVTAFGCTHSFIIT-MRXNPFEDSA-N 1 0 243.350 3.215 40 0 BGABRO CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000006385336 170125495 /nfs/dbraw/zinc/12/54/95/170125495.db2.gz YESYSJRLNWOYIG-UHFFFAOYSA-N 1 0 204.100 3.103 40 0 BGABRO CCOc1c[n+](C)c(/C=C/c2ccccc2)s1 ZINC000006411190 342777576 /nfs/dbraw/zinc/77/75/76/342777576.db2.gz RJKRWQCOTGYUOL-MDZDMXLPSA-N 1 0 246.355 3.142 40 0 BGABRO CCCCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000006427148 346649328 /nfs/dbraw/zinc/64/93/28/346649328.db2.gz OMUAXYFEBFAANQ-UHFFFAOYSA-N 1 0 235.327 3.085 40 0 BGABRO CCCC[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000006428182 344826381 /nfs/dbraw/zinc/82/63/81/344826381.db2.gz AXAHTSCPCIHUKM-UHFFFAOYSA-N 1 0 203.329 3.419 40 0 BGABRO Clc1ccc2nc(-c3ccccc3)cc[n+]2c1 ZINC000006475937 180588782 /nfs/dbraw/zinc/58/87/82/180588782.db2.gz OLSYMJCKFJYRIY-UHFFFAOYSA-N 1 0 241.701 3.141 40 0 BGABRO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccccc1 ZINC000006481857 384155051 /nfs/dbraw/zinc/15/50/51/384155051.db2.gz BHNAWFIQVQEFGB-INIZCTEOSA-N 1 0 241.334 3.198 40 0 BGABRO C[NH2+][C@H](Cc1ccccc1)c1cccc(OC)c1 ZINC000006481902 384155522 /nfs/dbraw/zinc/15/55/22/384155522.db2.gz YORWIMAVZYHXJQ-MRXNPFEDSA-N 1 0 241.334 3.198 40 0 BGABRO C[NH2+][C@H](Cc1ccccc1)c1ccccc1OC ZINC000006481906 384155752 /nfs/dbraw/zinc/15/57/52/384155752.db2.gz ZEFNRXVRBDGSDG-OAHLLOKOSA-N 1 0 241.334 3.198 40 0 BGABRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1 ZINC000006487306 342692428 /nfs/dbraw/zinc/69/24/28/342692428.db2.gz OUKACZRGSBUQSG-ZDUSSCGKSA-N 1 0 241.334 3.113 40 0 BGABRO C[C@H]([NH2+]CCOc1ccccc1)c1ccccc1 ZINC000006487651 176851458 /nfs/dbraw/zinc/85/14/58/176851458.db2.gz ZXCAYLBMFNWBCF-AWEZNQCLSA-N 1 0 241.334 3.416 40 0 BGABRO c1ccc2c(c1)C[NH+](C1CCCCC1)C2 ZINC000006496392 384156446 /nfs/dbraw/zinc/15/64/46/384156446.db2.gz BZMWURMWIVLKQI-UHFFFAOYSA-N 1 0 201.313 3.335 40 0 BGABRO CC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000006497335 535479922 /nfs/dbraw/zinc/47/99/22/535479922.db2.gz DIPAGTJBFSCAJA-UHFFFAOYSA-N 1 0 247.363 3.437 40 0 BGABRO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000006522518 384156567 /nfs/dbraw/zinc/15/65/67/384156567.db2.gz TXFQRXXAMKZVOG-INIZCTEOSA-N 1 0 225.335 3.498 40 0 BGABRO C[NH2+][C@H](Cc1ccccc1)c1ccc(C)cc1 ZINC000006522684 384155733 /nfs/dbraw/zinc/15/57/33/384155733.db2.gz KFNBPRSKBKBPAC-MRXNPFEDSA-N 1 0 225.335 3.498 40 0 BGABRO c1[nH]c2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000006580056 384159024 /nfs/dbraw/zinc/15/90/24/384159024.db2.gz HOAMAZXLUBYFFA-UHFFFAOYSA-N 1 0 236.318 3.458 40 0 BGABRO [NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000006580590 181556252 /nfs/dbraw/zinc/55/62/52/181556252.db2.gz LNEFEPJQQTYXJP-KRWDZBQOSA-N 1 0 237.346 3.418 40 0 BGABRO Cc1cc2c(cc1C)C[NH+](CC(C)C)C2 ZINC000006611615 368313406 /nfs/dbraw/zinc/31/34/06/368313406.db2.gz GUJZQRGZNZYSMV-UHFFFAOYSA-N 1 0 203.329 3.275 40 0 BGABRO CCCCC[N@H+](C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000006635209 342780034 /nfs/dbraw/zinc/78/00/34/342780034.db2.gz OOBZDMZDFWDBRU-ZFWWWQNUSA-N 1 0 235.371 3.231 40 0 BGABRO C[NH2+]C[C@H]1O[C@H]2CCCC[C@H]2c2sccc21 ZINC000006657969 173383069 /nfs/dbraw/zinc/38/30/69/173383069.db2.gz SSQGFXDMCNKSBL-ADEWGFFLSA-N 1 0 237.368 3.065 40 0 BGABRO C[NH2+]C[C@H]1O[C@H]2CCCC[C@@H]2c2sccc21 ZINC000006657971 173383043 /nfs/dbraw/zinc/38/30/43/173383043.db2.gz SSQGFXDMCNKSBL-ZMLRMANQSA-N 1 0 237.368 3.065 40 0 BGABRO C[C@@H]([NH3+])c1ccccc1NC(=O)OC(C)(C)C ZINC000006667020 360557794 /nfs/dbraw/zinc/55/77/94/360557794.db2.gz ZMCJMXOMUPBVOP-SECBINFHSA-N 1 0 236.315 3.053 40 0 BGABRO c1ccc(CC[NH+]2Cc3ccccc3C2)cc1 ZINC000006721281 183393280 /nfs/dbraw/zinc/39/32/80/183393280.db2.gz IWWCEUWGQRGXFV-UHFFFAOYSA-N 1 0 223.319 3.245 40 0 BGABRO C[C@H]([NH3+])c1ccccc1NC(=O)OC(C)(C)C ZINC000006732188 187758708 /nfs/dbraw/zinc/75/87/08/187758708.db2.gz ZMCJMXOMUPBVOP-VIFPVBQESA-N 1 0 236.315 3.053 40 0 BGABRO c1ccc2ncc([C@@H]3CCCCC[NH2+]3)cc2c1 ZINC000006733606 384165872 /nfs/dbraw/zinc/16/58/72/384165872.db2.gz XCXJLWLQQPJVDR-HNNXBMFYSA-N 1 0 226.323 3.440 40 0 BGABRO c1ccc2ncc([C@H]3CCCCC[NH2+]3)cc2c1 ZINC000006733607 384164787 /nfs/dbraw/zinc/16/47/87/384164787.db2.gz XCXJLWLQQPJVDR-OAHLLOKOSA-N 1 0 226.323 3.440 40 0 BGABRO c1cnc2ccc([C@@H]3CCCCC[NH2+]3)cc2c1 ZINC000006733627 183487518 /nfs/dbraw/zinc/48/75/18/183487518.db2.gz VUWMEMWWPBIMMA-AWEZNQCLSA-N 1 0 226.323 3.440 40 0 BGABRO c1cnc2ccc([C@H]3CCCCC[NH2+]3)cc2c1 ZINC000006733628 384165628 /nfs/dbraw/zinc/16/56/28/384165628.db2.gz VUWMEMWWPBIMMA-CQSZACIVSA-N 1 0 226.323 3.440 40 0 BGABRO Cc1ccc2[nH]cc(/C=C/c3cc[n+](C)cc3)c2c1 ZINC000006760081 349838578 /nfs/dbraw/zinc/83/85/78/349838578.db2.gz DGEOBTFQUSETAW-UHFFFAOYSA-O 1 0 249.337 3.471 40 0 BGABRO Cn1cccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857443 346656496 /nfs/dbraw/zinc/65/64/96/346656496.db2.gz JVWZVVVFTBTKGM-UHFFFAOYSA-N 1 0 222.376 3.330 40 0 BGABRO [NH3+]CC1c2ccccc2Sc2ccccc21 ZINC000006928031 181365895 /nfs/dbraw/zinc/36/58/95/181365895.db2.gz MYNBESFWFGVQQB-UHFFFAOYSA-N 1 0 227.332 3.242 40 0 in-vivo BGABRO CC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540961 346661914 /nfs/dbraw/zinc/66/19/14/346661914.db2.gz RSQGMOORTFLKGJ-LLVKDONJSA-N 1 0 245.322 3.109 40 0 BGABRO CC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540967 346661612 /nfs/dbraw/zinc/66/16/12/346661612.db2.gz RSQGMOORTFLKGJ-NSHDSACASA-N 1 0 245.322 3.109 40 0 BGABRO C[n+]1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000008581455 342800945 /nfs/dbraw/zinc/80/09/45/342800945.db2.gz RIGGPXDRMWMRNQ-VOTSOKGWSA-N 1 0 247.321 3.230 40 0 BGABRO Clc1cccc(CNc2cc[nH+]cc2)c1 ZINC000008699356 342802556 /nfs/dbraw/zinc/80/25/56/342802556.db2.gz RLSARHLOBJXQJD-UHFFFAOYSA-N 1 0 218.687 3.347 40 0 BGABRO Clc1ccccc1CNc1cc[nH+]cc1 ZINC000008699357 342802619 /nfs/dbraw/zinc/80/26/19/342802619.db2.gz QTFOJQLOKXIEDF-UHFFFAOYSA-N 1 0 218.687 3.347 40 0 BGABRO Clc1ccc(C2CC[NH2+]CC2)cc1Cl ZINC000008699550 188104297 /nfs/dbraw/zinc/10/42/97/188104297.db2.gz IREIFEVUVSLMAZ-UHFFFAOYSA-N 1 0 230.138 3.460 40 0 BGABRO [NH3+][C@@H]1CCCc2c(Cl)cc(Cl)cc21 ZINC000008699645 342802560 /nfs/dbraw/zinc/80/25/60/342802560.db2.gz ZDKDCHIVZVZNMV-SNVBAGLBSA-N 1 0 216.111 3.330 40 0 BGABRO [NH3+][C@H]1CCCc2c(Cl)cc(Cl)cc21 ZINC000008699646 181649241 /nfs/dbraw/zinc/64/92/41/181649241.db2.gz ZDKDCHIVZVZNMV-JTQLQIEISA-N 1 0 216.111 3.330 40 0 BGABRO [NH3+][C@@H](c1ccccc1)c1ccccc1Cl ZINC000008699663 342802510 /nfs/dbraw/zinc/80/25/10/342802510.db2.gz WFPPEQGXPRFYDB-ZDUSSCGKSA-N 1 0 217.699 3.388 40 0 BGABRO [NH3+][C@H](c1ccccc1)c1ccccc1Cl ZINC000008699664 342802612 /nfs/dbraw/zinc/80/26/12/342802612.db2.gz WFPPEQGXPRFYDB-CYBMUJFWSA-N 1 0 217.699 3.388 40 0 BGABRO Cc1ccc(NC2=NCCCS2)cc1C ZINC000008702126 370357308 /nfs/dbraw/zinc/35/73/08/370357308.db2.gz ZOJYCQBGKQDQGB-UHFFFAOYSA-N 1 0 220.341 3.208 40 0 BGABRO Cc1cccc2nc(-c3ccc(C[NH3+])cc3)oc21 ZINC000008732287 179228630 /nfs/dbraw/zinc/22/86/30/179228630.db2.gz IQSSKWNEQGTNBX-UHFFFAOYSA-N 1 0 238.290 3.262 40 0 BGABRO C1CC2=[NH+]c3sc4c(c3CN2C1)CCCC4 ZINC000009193835 384234864 /nfs/dbraw/zinc/23/48/64/384234864.db2.gz KUYYPPYEMRBBAG-UHFFFAOYSA-N 1 0 232.352 3.266 40 0 BGABRO Cc1[nH+]c2cc(N)ccc2n1C1CCCC1 ZINC000009238247 180082536 /nfs/dbraw/zinc/08/25/36/180082536.db2.gz SRAPWPGIIZMKNG-UHFFFAOYSA-N 1 0 215.300 3.042 40 0 BGABRO CCc1ccc([C@H]([NH3+])C2CCCC2)cc1 ZINC000009245916 385294311 /nfs/dbraw/zinc/29/43/11/385294311.db2.gz SRPTWVKCROKNQS-CQSZACIVSA-N 1 0 203.329 3.439 40 0 BGABRO CCc1ccc([C@@H]([NH3+])C2CCCC2)cc1 ZINC000009245917 385295319 /nfs/dbraw/zinc/29/53/19/385295319.db2.gz SRPTWVKCROKNQS-AWEZNQCLSA-N 1 0 203.329 3.439 40 0 BGABRO CCC[NH2+]Cc1cccn1-c1ccccc1F ZINC000010003906 169268383 /nfs/dbraw/zinc/26/83/83/169268383.db2.gz BJNLFFUMAFSORK-UHFFFAOYSA-N 1 0 232.302 3.116 40 0 BGABRO CC(C)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000011566544 370724483 /nfs/dbraw/zinc/72/44/83/370724483.db2.gz ZYWXKHKCKMPHLV-UHFFFAOYSA-N 1 0 232.352 3.392 40 0 BGABRO C[C@@H](CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000011629496 346873326 /nfs/dbraw/zinc/87/33/26/346873326.db2.gz DCHPQYIWTGPOOH-NSHDSACASA-N 1 0 205.345 3.436 40 0 BGABRO C[C@H](CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000011629497 346873025 /nfs/dbraw/zinc/87/30/25/346873025.db2.gz DCHPQYIWTGPOOH-LLVKDONJSA-N 1 0 205.345 3.436 40 0 BGABRO C[C@@H]([NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000011631303 384293068 /nfs/dbraw/zinc/29/30/68/384293068.db2.gz VDGQKFCMZMPXBB-LLVKDONJSA-N 1 0 205.345 3.264 40 0 BGABRO C[C@H]([NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000011631304 342842034 /nfs/dbraw/zinc/84/20/34/342842034.db2.gz VDGQKFCMZMPXBB-NSHDSACASA-N 1 0 205.345 3.264 40 0 BGABRO C[C@@H]([NH3+])CCc1ccc(Cl)c(Cl)c1 ZINC000011631323 175805952 /nfs/dbraw/zinc/80/59/52/175805952.db2.gz IQZDJBWWLXAEBY-SSDOTTSWSA-N 1 0 218.127 3.273 40 0 BGABRO C[C@H]([NH3+])CCc1ccc(Cl)c(Cl)c1 ZINC000011631324 176760006 /nfs/dbraw/zinc/76/00/06/176760006.db2.gz IQZDJBWWLXAEBY-ZETCQYMHSA-N 1 0 218.127 3.273 40 0 BGABRO CCc1ccc(C(C)(C)C[C@@H](C)[NH3+])cc1 ZINC000011631331 342842097 /nfs/dbraw/zinc/84/20/97/342842097.db2.gz CWLCEUXITOMFLS-LLVKDONJSA-N 1 0 205.345 3.264 40 0 BGABRO CCc1ccc(C(C)(C)C[C@H](C)[NH3+])cc1 ZINC000011631332 342842078 /nfs/dbraw/zinc/84/20/78/342842078.db2.gz CWLCEUXITOMFLS-NSHDSACASA-N 1 0 205.345 3.264 40 0 BGABRO Cc1ccc(C(C)(C)C[C@@H](C)[NH3+])cc1C ZINC000011631337 384292914 /nfs/dbraw/zinc/29/29/14/384292914.db2.gz ZWDCUCVCRNGDAV-GFCCVEGCSA-N 1 0 205.345 3.318 40 0 BGABRO Cc1ccc(C(C)(C)C[C@H](C)[NH3+])cc1C ZINC000011631338 384293629 /nfs/dbraw/zinc/29/36/29/384293629.db2.gz ZWDCUCVCRNGDAV-LBPRGKRZSA-N 1 0 205.345 3.318 40 0 BGABRO C[C@@H]([NH3+])CC(C)(C)c1ccc(Cl)cc1 ZINC000011631345 175803655 /nfs/dbraw/zinc/80/36/55/175803655.db2.gz WDAKRJMSYAIIQY-SECBINFHSA-N 1 0 211.736 3.355 40 0 BGABRO C[C@H]([NH3+])CC(C)(C)c1ccc(Cl)cc1 ZINC000011631346 342842012 /nfs/dbraw/zinc/84/20/12/342842012.db2.gz WDAKRJMSYAIIQY-VIFPVBQESA-N 1 0 211.736 3.355 40 0 BGABRO C[NH2+][C@@H](C)CCc1ccc(C(C)C)cc1 ZINC000011631371 173414771 /nfs/dbraw/zinc/41/47/71/173414771.db2.gz MBDJAIGOCGRSLB-LBPRGKRZSA-N 1 0 205.345 3.351 40 0 BGABRO C[NH2+][C@H](C)CCc1ccc(C(C)C)cc1 ZINC000011631372 384557674 /nfs/dbraw/zinc/55/76/74/384557674.db2.gz MBDJAIGOCGRSLB-GFCCVEGCSA-N 1 0 205.345 3.351 40 0 BGABRO c1sc([C@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000011632039 183382554 /nfs/dbraw/zinc/38/25/54/183382554.db2.gz GLPYPAYCZUFIAH-LBPRGKRZSA-N 1 0 244.363 3.277 40 0 BGABRO c1sc([C@@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000011632040 183382421 /nfs/dbraw/zinc/38/24/21/183382421.db2.gz GLPYPAYCZUFIAH-GFCCVEGCSA-N 1 0 244.363 3.277 40 0 BGABRO CC[C@H](c1cccc(O)c1)[C@@H](C)C[NH+](C)C ZINC000011726828 370745508 /nfs/dbraw/zinc/74/55/08/370745508.db2.gz KWTWDQCKEHXFFR-FZMZJTMJSA-N 1 0 221.344 3.084 40 0 in-man BGABRO CC[C@H](c1cccc(O)c1)[C@H](C)C[NH+](C)C ZINC000011726829 171597422 /nfs/dbraw/zinc/59/74/22/171597422.db2.gz KWTWDQCKEHXFFR-RISCZKNCSA-N 1 0 221.344 3.084 40 0 in-vitro BGABRO CC[C@@H](c1cccc(O)c1)[C@H](C)C[NH+](C)C ZINC000011726830 370744932 /nfs/dbraw/zinc/74/49/32/370744932.db2.gz KWTWDQCKEHXFFR-BXUZGUMPSA-N 1 0 221.344 3.084 40 0 in-vitro BGABRO [NH3+]CCCN(Cc1ccccc1)c1ccccc1 ZINC000011805318 181380032 /nfs/dbraw/zinc/38/00/32/181380032.db2.gz PIOUIGZIKIVSQJ-UHFFFAOYSA-N 1 0 240.350 3.042 40 0 BGABRO Cc1ccc(OCc2ccccc2C[NH3+])cc1 ZINC000011944850 384303748 /nfs/dbraw/zinc/30/37/48/384303748.db2.gz QGROEYXPPHTEDG-UHFFFAOYSA-N 1 0 227.307 3.033 40 0 BGABRO C[C@@H](C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000011975090 355770123 /nfs/dbraw/zinc/77/01/23/355770123.db2.gz JAFGIBGBEFSNOV-LLVKDONJSA-N 1 0 205.345 3.121 40 0 BGABRO C[C@H](C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000011975095 355770276 /nfs/dbraw/zinc/77/02/76/355770276.db2.gz JAFGIBGBEFSNOV-NSHDSACASA-N 1 0 205.345 3.121 40 0 BGABRO C[N@H+]1CC=C(/C=C/c2c[nH]c3ccccc23)CC1 ZINC000012159775 188279921 /nfs/dbraw/zinc/27/99/21/188279921.db2.gz HTQYQZKGLVDSLB-VOTSOKGWSA-N 1 0 238.334 3.443 40 0 BGABRO C[N@@H+]1CCC=C[C@@H]1/C=C/c1c[nH]c2ccccc12 ZINC000012184095 384311058 /nfs/dbraw/zinc/31/10/58/384311058.db2.gz JJYWZVJLOGMUNX-ATWMFIQVSA-N 1 0 238.334 3.441 40 0 BGABRO C[N@@H+]1CCC=C[C@H]1/C=C/c1c[nH]c2ccccc12 ZINC000012184097 188279874 /nfs/dbraw/zinc/27/98/74/188279874.db2.gz JJYWZVJLOGMUNX-HBWSCVEGSA-N 1 0 238.334 3.441 40 0 BGABRO CC[n+]1c(/C=C(\C)OC)sc2ccccc21 ZINC000012341451 188340891 /nfs/dbraw/zinc/34/08/91/188340891.db2.gz UHGQTUUQYDBKSJ-MDZDMXLPSA-N 1 0 234.344 3.216 40 0 BGABRO CC[n+]1c(C)n(C)c2cc(Cl)c(Cl)cc21 ZINC000012341520 188522546 /nfs/dbraw/zinc/52/25/46/188522546.db2.gz QGBSHVRZGSVXSW-UHFFFAOYSA-N 1 0 244.145 3.101 40 0 BGABRO Clc1ccc(/C=C\[n+]2ccccc2)cc1 ZINC000012416713 342851823 /nfs/dbraw/zinc/85/18/23/342851823.db2.gz XZLRINZWBUDXQM-FLIBITNWSA-N 1 0 216.691 3.255 40 0 BGABRO C[n+]1ccccc1/C=C\C=C/c1ccccc1 ZINC000012417624 188460064 /nfs/dbraw/zinc/46/00/64/188460064.db2.gz GXRKWEVXTPYBCN-CBIKUMSCSA-N 1 0 222.311 3.238 40 0 BGABRO CSc1ccc2n[s+]sc2c1 ZINC000012432991 342852085 /nfs/dbraw/zinc/85/20/85/342852085.db2.gz LCKZUEMWXRDCJB-UHFFFAOYSA-N 1 0 200.333 3.361 40 0 BGABRO C[n+]1ccccc1/C=C\c1ccnc2ccccc12 ZINC000012494871 188105088 /nfs/dbraw/zinc/10/50/88/188105088.db2.gz NLRBVCWWNURGSG-KTKRTIGZSA-N 1 0 247.321 3.230 40 0 BGABRO Cc1ccc(C(=[NH2+])Nc2ccccc2)cc1 ZINC000013140246 178369300 /nfs/dbraw/zinc/36/93/00/178369300.db2.gz QSIUGNVXHQWBEP-UHFFFAOYSA-N 1 0 210.280 3.432 40 0 in-vitro BGABRO C[n+]1ccccc1/C=C/c1ccnc2ccccc12 ZINC000013282687 384353784 /nfs/dbraw/zinc/35/37/84/384353784.db2.gz NLRBVCWWNURGSG-MDZDMXLPSA-N 1 0 247.321 3.230 40 0 BGABRO C[n+]1ccc(/C=C/c2ccncc2)c2ccccc21 ZINC000013284104 177500703 /nfs/dbraw/zinc/50/07/03/177500703.db2.gz MOXHRJSLUAOTOQ-VOTSOKGWSA-N 1 0 247.321 3.230 40 0 BGABRO C[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000013444097 173036621 /nfs/dbraw/zinc/03/66/21/173036621.db2.gz CUNLUNDTLIURBV-CQSZACIVSA-N 1 0 212.296 3.002 40 0 BGABRO C[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000013444100 173058238 /nfs/dbraw/zinc/05/82/38/173058238.db2.gz CUNLUNDTLIURBV-AWEZNQCLSA-N 1 0 212.296 3.002 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000013487900 183399687 /nfs/dbraw/zinc/39/96/87/183399687.db2.gz OROZJANMNGFCRU-INIZCTEOSA-N 1 0 238.334 3.419 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000013487901 183398918 /nfs/dbraw/zinc/39/89/18/183398918.db2.gz OROZJANMNGFCRU-MRXNPFEDSA-N 1 0 238.334 3.419 40 0 BGABRO c1ccc2c(c1)C1c3ccccc3C2[C@@H]2C[NH2+]C[C@H]21 ZINC000013566587 183440992 /nfs/dbraw/zinc/44/09/92/183440992.db2.gz ZLICBEFTGDELDU-MRLCAUJQSA-N 1 0 247.341 3.113 40 0 BGABRO c1ccc2c(c1)C1c3ccccc3C2[C@H]2C[NH2+]C[C@@H]21 ZINC000013566589 384484196 /nfs/dbraw/zinc/48/41/96/384484196.db2.gz ZLICBEFTGDELDU-VYMRPNJYSA-N 1 0 247.341 3.113 40 0 BGABRO CCC[C@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000013682039 384662488 /nfs/dbraw/zinc/66/24/88/384662488.db2.gz BQLSUBYYRRZHRK-CQSZACIVSA-N 1 0 249.329 3.273 40 0 in-vivo BGABRO CCC[C@@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000013682042 169346989 /nfs/dbraw/zinc/34/69/89/169346989.db2.gz BQLSUBYYRRZHRK-AWEZNQCLSA-N 1 0 249.329 3.273 40 0 in-vivo BGABRO [NH3+][C@@H]1CCC[C@@H](c2c[nH]c3ccccc23)C1 ZINC000013999562 346967701 /nfs/dbraw/zinc/96/77/01/346967701.db2.gz VBUANZCUIFQTIY-GHMZBOCLSA-N 1 0 214.312 3.153 40 0 BGABRO [NH3+][C@H]1CCC[C@@H](c2c[nH]c3ccccc23)C1 ZINC000013999565 346967772 /nfs/dbraw/zinc/96/77/72/346967772.db2.gz VBUANZCUIFQTIY-MNOVXSKESA-N 1 0 214.312 3.153 40 0 BGABRO [NH3+][C@@H]1CCC[C@H](c2c[nH]c3ccccc32)C1 ZINC000013999568 346967710 /nfs/dbraw/zinc/96/77/10/346967710.db2.gz VBUANZCUIFQTIY-WDEREUQCSA-N 1 0 214.312 3.153 40 0 BGABRO [NH3+][C@H]1CCC[C@H](c2c[nH]c3ccccc23)C1 ZINC000013999572 346968169 /nfs/dbraw/zinc/96/81/69/346968169.db2.gz VBUANZCUIFQTIY-QWRGUYRKSA-N 1 0 214.312 3.153 40 0 BGABRO Fc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000014193447 342878102 /nfs/dbraw/zinc/87/81/02/342878102.db2.gz DZRSESBGXQZKIH-UHFFFAOYSA-N 1 0 213.683 3.075 40 0 BGABRO Fc1ccc(C[NH+]2CCCCC2)c(Cl)c1 ZINC000014193493 355881372 /nfs/dbraw/zinc/88/13/72/355881372.db2.gz HXPZNMJEQNBSMM-UHFFFAOYSA-N 1 0 227.710 3.465 40 0 BGABRO Clc1ccccc1C[NH+]1CCCCC1 ZINC000014193494 342878089 /nfs/dbraw/zinc/87/80/89/342878089.db2.gz PIESIIRDPWWLAP-UHFFFAOYSA-N 1 0 209.720 3.326 40 0 BGABRO CCCCC[N@H+](C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000014983232 342890131 /nfs/dbraw/zinc/89/01/31/342890131.db2.gz OOBZDMZDFWDBRU-DZGCQCFKSA-N 1 0 235.371 3.231 40 0 BGABRO CCCCC[N@H+](C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000014983235 342890106 /nfs/dbraw/zinc/89/01/06/342890106.db2.gz OOBZDMZDFWDBRU-UKRRQHHQSA-N 1 0 235.371 3.231 40 0 BGABRO C[NH2+]C[C@H]1O[C@@H]2CCCC[C@@H]2c2sccc21 ZINC000014987510 173383361 /nfs/dbraw/zinc/38/33/61/173383361.db2.gz SSQGFXDMCNKSBL-MVWJERBFSA-N 1 0 237.368 3.065 40 0 BGABRO Cc1ccc(N2C[C@H](C)C[C@H](C)C2)c(N)c1 ZINC000015417908 384315515 /nfs/dbraw/zinc/31/55/15/384315515.db2.gz QXIUTRMSPXATTE-TXEJJXNPSA-N 1 0 218.344 3.060 40 0 BGABRO CCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423479 384432852 /nfs/dbraw/zinc/43/28/52/384432852.db2.gz BWQLFFHYXXTOLC-UHFFFAOYSA-N 1 0 202.301 3.058 40 0 BGABRO CCCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423485 342896014 /nfs/dbraw/zinc/89/60/14/342896014.db2.gz FFROPVMAMRXVFC-UHFFFAOYSA-N 1 0 216.328 3.448 40 0 BGABRO c1cc2c(cccc2C[NH2+]C2CCCC2)[nH]1 ZINC000015423496 183349054 /nfs/dbraw/zinc/34/90/54/183349054.db2.gz QILJPWHVYWLNQB-UHFFFAOYSA-N 1 0 214.312 3.200 40 0 BGABRO CC(C)CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423539 166862504 /nfs/dbraw/zinc/86/25/04/166862504.db2.gz NQSMIFHLSAWDAV-UHFFFAOYSA-N 1 0 216.328 3.304 40 0 BGABRO CCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424159 347113693 /nfs/dbraw/zinc/11/36/93/347113693.db2.gz VGEDOOWYPLPEHF-UHFFFAOYSA-N 1 0 202.301 3.058 40 0 BGABRO CCCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424164 347113268 /nfs/dbraw/zinc/11/32/68/347113268.db2.gz RJYHWRBIYAKBCI-UHFFFAOYSA-N 1 0 216.328 3.448 40 0 BGABRO c1cc2cc(C[NH2+]C3CCCC3)ccc2[nH]1 ZINC000015424169 183374293 /nfs/dbraw/zinc/37/42/93/183374293.db2.gz OGGWRCKSUJYMLA-UHFFFAOYSA-N 1 0 214.312 3.200 40 0 BGABRO c1cc2cc(C[NH2+]Cc3ccccc3)ccc2[nH]1 ZINC000015424173 385725907 /nfs/dbraw/zinc/72/59/07/385725907.db2.gz UORBJXHTIZFHPR-UHFFFAOYSA-N 1 0 236.318 3.458 40 0 BGABRO CC(C)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424215 347113428 /nfs/dbraw/zinc/11/34/28/347113428.db2.gz YOCDFCACDZZGCJ-UHFFFAOYSA-N 1 0 216.328 3.304 40 0 BGABRO [NH3+]CCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000015445928 384432681 /nfs/dbraw/zinc/43/26/81/384432681.db2.gz HQJIMWXWTRWIAL-UHFFFAOYSA-N 1 0 236.318 3.336 40 0 BGABRO Cc1ccc2ccc[n+](Cc3ccccc3)c2c1 ZINC000015780618 355864351 /nfs/dbraw/zinc/86/43/51/355864351.db2.gz PBVWXTNBHJXKJE-UHFFFAOYSA-N 1 0 234.322 3.484 40 0 BGABRO [NH3+][C@@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000016082954 342905967 /nfs/dbraw/zinc/90/59/67/342905967.db2.gz PAHHHTVOGGMYFS-ZDUSSCGKSA-N 1 0 219.234 3.013 40 0 BGABRO [NH3+][C@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000016082955 342905803 /nfs/dbraw/zinc/90/58/03/342905803.db2.gz PAHHHTVOGGMYFS-CYBMUJFWSA-N 1 0 219.234 3.013 40 0 BGABRO C[NH+](C)/C=C/C(=S)Nc1ccc(Cl)cc1 ZINC000016163032 172351092 /nfs/dbraw/zinc/35/10/92/172351092.db2.gz GIXLLUTUSKYBHZ-BQYQJAHWSA-N 1 0 240.759 3.155 40 0 BGABRO Cn1cccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016382548 347171215 /nfs/dbraw/zinc/17/12/15/347171215.db2.gz XBVYMVILKMAPLK-UHFFFAOYSA-N 1 0 244.382 3.084 40 0 BGABRO CC(C)Oc1cccc(C2=CC[N@H+](C)C[C@@H]2C)c1 ZINC000016698054 167303831 /nfs/dbraw/zinc/30/38/31/167303831.db2.gz JCOCMGVCOFDDLL-ZDUSSCGKSA-N 1 0 245.366 3.439 40 0 BGABRO CC1(C)CC2(Cc3ccccc3O2)CC(C)(C)[NH2+]1 ZINC000016698333 397959506 /nfs/dbraw/zinc/95/95/06/397959506.db2.gz PQFWZTGONNBBGA-UHFFFAOYSA-N 1 0 245.366 3.301 40 0 BGABRO C[C@]12CC3CC(SC(N)=[NH2+])(C1)C[C@@](C)(C3)C2 ZINC000017021987 342919558 /nfs/dbraw/zinc/91/95/58/342919558.db2.gz MXGSRDBIUMERRE-QGVZIFMBSA-N 1 0 238.400 3.362 40 0 BGABRO O=[N+]1CCCC1=CCC=Cc1ccccc1 ZINC000017061962 187251728 /nfs/dbraw/zinc/25/17/28/187251728.db2.gz GDYVRHUFZSBPOD-DHPVUTNOSA-N 1 0 213.280 3.001 40 0 BGABRO O=[N+]1CCCC1=CCC=Cc1ccccc1 ZINC000017061964 188106803 /nfs/dbraw/zinc/10/68/03/188106803.db2.gz GDYVRHUFZSBPOD-FTBRZUGYSA-N 1 0 213.280 3.001 40 0 BGABRO COc1ccc(C(=[NH2+])c2ccccc2C)cc1 ZINC000017062013 175051696 /nfs/dbraw/zinc/05/16/96/175051696.db2.gz VQLGFCORZHXFMF-UHFFFAOYSA-N 1 0 225.291 3.420 40 0 BGABRO C[n+]1ccccc1/C=C\c1ccccc1Cl ZINC000017145583 188107419 /nfs/dbraw/zinc/10/74/19/188107419.db2.gz RNCQKAIBZKEEJO-KTKRTIGZSA-N 1 0 230.718 3.335 40 0 BGABRO C[n+]1ccccc1/C=C\c1ccc(Cl)cc1 ZINC000017145585 188107049 /nfs/dbraw/zinc/10/70/49/188107049.db2.gz APJNJBHTYWUBDE-YFHOEESVSA-N 1 0 230.718 3.335 40 0 BGABRO C[n+]1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017146666 342921146 /nfs/dbraw/zinc/92/11/46/342921146.db2.gz RIGGPXDRMWMRNQ-SREVYHEPSA-N 1 0 247.321 3.230 40 0 BGABRO C[n+]1ccccc1/C=C/C=C\c1ccccc1 ZINC000017157653 188107438 /nfs/dbraw/zinc/10/74/38/188107438.db2.gz GXRKWEVXTPYBCN-JTAXDKCCSA-N 1 0 222.311 3.238 40 0 BGABRO C[n+]1ccccc1/C=C\C=C\c1ccccc1 ZINC000017157656 188281257 /nfs/dbraw/zinc/28/12/57/188281257.db2.gz GXRKWEVXTPYBCN-MCSXFCTQSA-N 1 0 222.311 3.238 40 0 BGABRO C=C(/C=C\c1cccc[n+]1C)c1ccccc1 ZINC000017162017 187252259 /nfs/dbraw/zinc/25/22/59/187252259.db2.gz LBTHXMGPBSEZPB-QXMHVHEDSA-N 1 0 222.311 3.238 40 0 BGABRO [NH3+]Cc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000019254813 181484960 /nfs/dbraw/zinc/48/49/60/181484960.db2.gz UOGSXCGJCJNLQW-UHFFFAOYSA-N 1 0 246.354 3.054 40 0 BGABRO Cc1ccc([C@@H]([NH3+])COc2ccccc2)cc1 ZINC000019262295 410910927 /nfs/dbraw/zinc/91/09/27/410910927.db2.gz ZOQXWWVFIGHTBL-HNNXBMFYSA-N 1 0 227.307 3.074 40 0 BGABRO Cc1ccc([C@H]([NH3+])COc2ccccc2)cc1 ZINC000019262297 344423794 /nfs/dbraw/zinc/42/37/94/344423794.db2.gz ZOQXWWVFIGHTBL-OAHLLOKOSA-N 1 0 227.307 3.074 40 0 BGABRO Fc1ccc([C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000019272898 344065234 /nfs/dbraw/zinc/06/52/34/344065234.db2.gz WLIMULATNBCXCQ-JTQLQIEISA-N 1 0 244.107 3.013 40 0 BGABRO Fc1ccc([C@H]2CCC[NH2+]2)c(Br)c1 ZINC000019272900 180983437 /nfs/dbraw/zinc/98/34/37/180983437.db2.gz WLIMULATNBCXCQ-SNVBAGLBSA-N 1 0 244.107 3.013 40 0 BGABRO Cc1ccc(O[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000019280342 259372864 /nfs/dbraw/zinc/37/28/64/259372864.db2.gz XNOQWBZBNZMHJI-UONOGXRCSA-N 1 0 219.328 3.034 40 0 BGABRO CCCCN1CC[N@H+](CCCC)C1CCC ZINC000019319690 384517053 /nfs/dbraw/zinc/51/70/53/384517053.db2.gz RBNKKZKDADUEQJ-UHFFFAOYSA-N 1 0 226.408 3.330 40 0 BGABRO Fc1ccc(Br)c([C@@H]2CCC[NH2+]2)c1 ZINC000019385084 491125888 /nfs/dbraw/zinc/12/58/88/491125888.db2.gz YORBCUABTMXJKE-JTQLQIEISA-N 1 0 244.107 3.013 40 0 BGABRO Fc1ccc(Br)c([C@H]2CCC[NH2+]2)c1 ZINC000019385086 180963204 /nfs/dbraw/zinc/96/32/04/180963204.db2.gz YORBCUABTMXJKE-SNVBAGLBSA-N 1 0 244.107 3.013 40 0 BGABRO Cc1ccc([C@@H]([NH3+])c2ccc(F)c(F)c2)cc1 ZINC000019414504 385513922 /nfs/dbraw/zinc/51/39/22/385513922.db2.gz MQLJSPZSQAHJPV-CQSZACIVSA-N 1 0 233.261 3.321 40 0 BGABRO Cc1ccc([C@H]([NH3+])c2ccc(F)c(F)c2)cc1 ZINC000019414506 353688010 /nfs/dbraw/zinc/68/80/10/353688010.db2.gz MQLJSPZSQAHJPV-AWEZNQCLSA-N 1 0 233.261 3.321 40 0 BGABRO COc1ccccc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000019414609 175346914 /nfs/dbraw/zinc/34/69/14/175346914.db2.gz DZHXCFIAPPNYEL-HNNXBMFYSA-N 1 0 227.307 3.052 40 0 BGABRO COc1ccccc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000019414611 175353308 /nfs/dbraw/zinc/35/33/08/175353308.db2.gz DZHXCFIAPPNYEL-OAHLLOKOSA-N 1 0 227.307 3.052 40 0 BGABRO Cc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000019414932 178861369 /nfs/dbraw/zinc/86/13/69/178861369.db2.gz KRYNRTDJUYFEDU-CQSZACIVSA-N 1 0 215.271 3.182 40 0 BGABRO Cc1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000019414934 342948222 /nfs/dbraw/zinc/94/82/22/342948222.db2.gz KRYNRTDJUYFEDU-AWEZNQCLSA-N 1 0 215.271 3.182 40 0 BGABRO COc1ccc([C@@H]([NH3+])CC(C)(C)C)cc1 ZINC000019415044 175178866 /nfs/dbraw/zinc/17/88/66/175178866.db2.gz RUYLIVZNSBOODG-LBPRGKRZSA-N 1 0 207.317 3.131 40 0 BGABRO COc1ccc([C@H]([NH3+])CC(C)(C)C)cc1 ZINC000019415046 175191081 /nfs/dbraw/zinc/19/10/81/175191081.db2.gz RUYLIVZNSBOODG-GFCCVEGCSA-N 1 0 207.317 3.131 40 0 BGABRO CCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019415657 169393428 /nfs/dbraw/zinc/39/34/28/169393428.db2.gz STORZZRBHMOXOC-SNVBAGLBSA-N 1 0 228.133 3.249 40 0 BGABRO CCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019415658 357338837 /nfs/dbraw/zinc/33/88/37/357338837.db2.gz STORZZRBHMOXOC-JTQLQIEISA-N 1 0 228.133 3.249 40 0 BGABRO CC(C)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019420763 387907378 /nfs/dbraw/zinc/90/73/78/387907378.db2.gz SOYPVVIXRRAUTP-JTQLQIEISA-N 1 0 228.133 3.105 40 0 BGABRO COc1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000019420839 175180146 /nfs/dbraw/zinc/18/01/46/175180146.db2.gz BVVUNQSGWAXFAK-OAHLLOKOSA-N 1 0 227.307 3.052 40 0 BGABRO COc1ccc([C@H]([NH3+])c2cccc(C)c2)cc1 ZINC000019420841 175192743 /nfs/dbraw/zinc/19/27/43/175192743.db2.gz BVVUNQSGWAXFAK-HNNXBMFYSA-N 1 0 227.307 3.052 40 0 BGABRO Cc1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000019421241 384522745 /nfs/dbraw/zinc/52/27/45/384522745.db2.gz HTAKQAWHGSNALL-OAHLLOKOSA-N 1 0 211.308 3.352 40 0 BGABRO Cc1ccc([C@H]([NH3+])c2cccc(C)c2)cc1 ZINC000019421243 342948010 /nfs/dbraw/zinc/94/80/10/342948010.db2.gz HTAKQAWHGSNALL-HNNXBMFYSA-N 1 0 211.308 3.352 40 0 BGABRO Cc1ccc([C@@H]([NH3+])c2ccccc2F)cc1 ZINC000019421327 385514635 /nfs/dbraw/zinc/51/46/35/385514635.db2.gz BFUUESCKXARZEW-CQSZACIVSA-N 1 0 215.271 3.182 40 0 BGABRO Cc1ccc([C@H]([NH3+])c2ccccc2F)cc1 ZINC000019421329 347017782 /nfs/dbraw/zinc/01/77/82/347017782.db2.gz BFUUESCKXARZEW-AWEZNQCLSA-N 1 0 215.271 3.182 40 0 BGABRO CCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000019434874 169276561 /nfs/dbraw/zinc/27/65/61/169276561.db2.gz VQNJEZAYUSAQCA-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CCC[NH2+][C@H](C)c1ccccc1OCC ZINC000019434876 169287252 /nfs/dbraw/zinc/28/72/52/169287252.db2.gz VQNJEZAYUSAQCA-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019436671 170142002 /nfs/dbraw/zinc/14/20/02/170142002.db2.gz GCVNHASEUQYLEV-NSHDSACASA-N 1 0 207.317 3.144 40 0 BGABRO CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019436673 170159265 /nfs/dbraw/zinc/15/92/65/170159265.db2.gz GCVNHASEUQYLEV-LLVKDONJSA-N 1 0 207.317 3.144 40 0 BGABRO CCCOc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000019480556 169320571 /nfs/dbraw/zinc/32/05/71/169320571.db2.gz FVGWIPBGZIKDFA-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCCOc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000019480557 169321837 /nfs/dbraw/zinc/32/18/37/169321837.db2.gz FVGWIPBGZIKDFA-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO Fc1cc(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000019517725 187317105 /nfs/dbraw/zinc/31/71/05/187317105.db2.gz HXJYCCFZORKQSD-JTQLQIEISA-N 1 0 244.107 3.013 40 0 BGABRO Fc1cc(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000019517726 385513998 /nfs/dbraw/zinc/51/39/98/385513998.db2.gz HXJYCCFZORKQSD-SNVBAGLBSA-N 1 0 244.107 3.013 40 0 BGABRO Cc1ccc2c(c1)[C@H](c1ccccc1)[NH2+]CC2 ZINC000019625061 178957500 /nfs/dbraw/zinc/95/75/00/178957500.db2.gz RQVDQPKNWIVQDU-INIZCTEOSA-N 1 0 223.319 3.230 40 0 BGABRO Cc1ccc2c(c1)[C@@H](c1ccccc1)[NH2+]CC2 ZINC000019625067 371177696 /nfs/dbraw/zinc/17/76/96/371177696.db2.gz RQVDQPKNWIVQDU-MRXNPFEDSA-N 1 0 223.319 3.230 40 0 BGABRO [NH3+]CCCCNc1ccnc2cc(Cl)ccc21 ZINC000019721342 181377905 /nfs/dbraw/zinc/37/79/05/181377905.db2.gz FIVQKRXTOFYZCQ-UHFFFAOYSA-N 1 0 249.745 3.039 40 0 BGABRO C[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019726073 342954910 /nfs/dbraw/zinc/95/49/10/342954910.db2.gz HSOAEJOOVCXIIL-LURJTMIESA-N 1 0 204.100 3.056 40 0 BGABRO C[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019726074 176662904 /nfs/dbraw/zinc/66/29/04/176662904.db2.gz HSOAEJOOVCXIIL-ZCFIWIBFSA-N 1 0 204.100 3.056 40 0 BGABRO CCCn1c2ccccc2nc1CCCCC[NH3+] ZINC000019734664 347268328 /nfs/dbraw/zinc/26/83/28/347268328.db2.gz JNZYKIZSHYBKDE-UHFFFAOYSA-N 1 0 245.370 3.118 40 0 BGABRO CC(C)(C)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000019785218 187314552 /nfs/dbraw/zinc/31/45/52/187314552.db2.gz NXHBJNLYTKHUTM-GFCCVEGCSA-N 1 0 203.329 3.061 40 0 BGABRO CC(C)(C)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000019785219 352737109 /nfs/dbraw/zinc/73/71/09/352737109.db2.gz NXHBJNLYTKHUTM-LBPRGKRZSA-N 1 0 203.329 3.061 40 0 BGABRO [NH3+]Cc1cccc(OCC2CCCCC2)c1 ZINC000019805223 388747554 /nfs/dbraw/zinc/74/75/54/388747554.db2.gz HODMFYQUMLYILA-UHFFFAOYSA-N 1 0 219.328 3.104 40 0 BGABRO CCc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 ZINC000019807336 347287227 /nfs/dbraw/zinc/28/72/27/347287227.db2.gz FYSMNPVOEPLGIE-UHFFFAOYSA-N 1 0 237.306 3.375 40 0 BGABRO Cc1cccc(-c2nc3cc(N)ccc3[nH]2)c1 ZINC000019807345 347287647 /nfs/dbraw/zinc/28/76/47/347287647.db2.gz AXZKGLYUIGZCLG-UHFFFAOYSA-N 1 0 223.279 3.121 40 0 BGABRO [NH3+][C@@H](c1cccs1)c1ccccc1Cl ZINC000019841953 342959562 /nfs/dbraw/zinc/95/95/62/342959562.db2.gz QRIMGBLUGIGIEX-LLVKDONJSA-N 1 0 223.728 3.450 40 0 BGABRO [NH3+][C@H](c1cccs1)c1ccccc1Cl ZINC000019841956 342959503 /nfs/dbraw/zinc/95/95/03/342959503.db2.gz QRIMGBLUGIGIEX-NSHDSACASA-N 1 0 223.728 3.450 40 0 BGABRO [NH3+][C@H](c1cccs1)c1cccc(Cl)c1 ZINC000019842000 342959398 /nfs/dbraw/zinc/95/93/98/342959398.db2.gz ROSCXBQAXWMVKD-NSHDSACASA-N 1 0 223.728 3.450 40 0 BGABRO [NH3+][C@@H](c1cccs1)c1cccc(Cl)c1 ZINC000019842003 342959607 /nfs/dbraw/zinc/95/96/07/342959607.db2.gz ROSCXBQAXWMVKD-LLVKDONJSA-N 1 0 223.728 3.450 40 0 BGABRO NC(=[NH2+])c1ccc(CSc2ccccc2)cc1 ZINC000019847969 181193500 /nfs/dbraw/zinc/19/35/00/181193500.db2.gz GKASPAWGJNUCBL-UHFFFAOYSA-N 1 0 242.347 3.263 40 0 BGABRO CCOc1ccccc1[C@@H](C)[NH2+]C(C)C ZINC000019880848 170597163 /nfs/dbraw/zinc/59/71/63/170597163.db2.gz YWEZIJLHAJDXHQ-LLVKDONJSA-N 1 0 207.317 3.144 40 0 BGABRO CCOc1ccccc1[C@H](C)[NH2+]C(C)C ZINC000019880852 347375624 /nfs/dbraw/zinc/37/56/24/347375624.db2.gz YWEZIJLHAJDXHQ-NSHDSACASA-N 1 0 207.317 3.144 40 0 BGABRO CC(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019882984 167007527 /nfs/dbraw/zinc/00/75/27/167007527.db2.gz QLDPRJJTVSYVHG-UHFFFAOYSA-N 1 0 231.261 3.451 40 0 BGABRO COc1cccc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000019883092 175286674 /nfs/dbraw/zinc/28/66/74/175286674.db2.gz KNRYRRCMNKGLFX-LLVKDONJSA-N 1 0 207.317 3.002 40 0 BGABRO COc1cccc([C@H](C)[NH2+]CC(C)C)c1 ZINC000019883093 175292668 /nfs/dbraw/zinc/29/26/68/175292668.db2.gz KNRYRRCMNKGLFX-NSHDSACASA-N 1 0 207.317 3.002 40 0 BGABRO CCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000019883130 342961348 /nfs/dbraw/zinc/96/13/48/342961348.db2.gz LGXLQZLVNXTFIB-GFCCVEGCSA-N 1 0 221.344 3.392 40 0 BGABRO CCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000019883132 342961115 /nfs/dbraw/zinc/96/11/15/342961115.db2.gz LGXLQZLVNXTFIB-LBPRGKRZSA-N 1 0 221.344 3.392 40 0 BGABRO CC[C@@H]([NH2+]CC(C)C)c1ccc(OC)cc1 ZINC000019883180 384550008 /nfs/dbraw/zinc/55/00/08/384550008.db2.gz OIKKOPYJAJDTBL-CQSZACIVSA-N 1 0 221.344 3.392 40 0 BGABRO CC[C@H]([NH2+]CC(C)C)c1ccc(OC)cc1 ZINC000019883181 342961162 /nfs/dbraw/zinc/96/11/62/342961162.db2.gz OIKKOPYJAJDTBL-AWEZNQCLSA-N 1 0 221.344 3.392 40 0 BGABRO CCOc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000019883182 342961140 /nfs/dbraw/zinc/96/11/40/342961140.db2.gz UGXHXWNJKUQMOM-GFCCVEGCSA-N 1 0 221.344 3.392 40 0 BGABRO CCOc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000019883184 342961273 /nfs/dbraw/zinc/96/12/73/342961273.db2.gz UGXHXWNJKUQMOM-LBPRGKRZSA-N 1 0 221.344 3.392 40 0 BGABRO FC(F)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000019883325 347517344 /nfs/dbraw/zinc/51/73/44/347517344.db2.gz YYCUBNGBWTWCRZ-UHFFFAOYSA-N 1 0 241.281 3.320 40 0 BGABRO CCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019907019 385360527 /nfs/dbraw/zinc/36/05/27/385360527.db2.gz ARRVXVCSROZTAL-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019907020 168876796 /nfs/dbraw/zinc/87/67/96/168876796.db2.gz ARRVXVCSROZTAL-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCN(CC)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000019919265 347317799 /nfs/dbraw/zinc/31/77/99/347317799.db2.gz UPABLVKNEHXBQN-UHFFFAOYSA-N 1 0 248.414 3.241 40 0 BGABRO C[C@H]1[C@H]([NH2+]Cc2ccco2)CCC[C@@H]1C ZINC000019963178 342965160 /nfs/dbraw/zinc/96/51/60/342965160.db2.gz GWSWIBYDUGAKRG-DMDPSCGWSA-N 1 0 207.317 3.194 40 0 BGABRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000019963180 177137225 /nfs/dbraw/zinc/13/72/25/177137225.db2.gz GWSWIBYDUGAKRG-LOWVWBTDSA-N 1 0 207.317 3.194 40 0 BGABRO CCOc1ccc([C@@H]([NH3+])CC(C)C)cc1 ZINC000019967444 342965247 /nfs/dbraw/zinc/96/52/47/342965247.db2.gz ZVUDOWNSGSUCEU-ZDUSSCGKSA-N 1 0 207.317 3.131 40 0 BGABRO CCOc1ccc([C@H]([NH3+])CC(C)C)cc1 ZINC000019967445 342965292 /nfs/dbraw/zinc/96/52/92/342965292.db2.gz ZVUDOWNSGSUCEU-CYBMUJFWSA-N 1 0 207.317 3.131 40 0 BGABRO CCCC[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000019967504 342965306 /nfs/dbraw/zinc/96/53/06/342965306.db2.gz ANQPQZPSHRQNBF-CYBMUJFWSA-N 1 0 207.317 3.275 40 0 BGABRO CCCC[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000019967505 169008426 /nfs/dbraw/zinc/00/84/26/169008426.db2.gz ANQPQZPSHRQNBF-ZDUSSCGKSA-N 1 0 207.317 3.275 40 0 BGABRO [NH3+][C@H](c1ccc(F)c(F)c1)C1CCCC1 ZINC000019968360 342965035 /nfs/dbraw/zinc/96/50/35/342965035.db2.gz IWDZCJDSWOIBHZ-LBPRGKRZSA-N 1 0 211.255 3.155 40 0 BGABRO [NH3+][C@@H](c1ccc(F)c(F)c1)C1CCCC1 ZINC000019968361 342965275 /nfs/dbraw/zinc/96/52/75/342965275.db2.gz IWDZCJDSWOIBHZ-GFCCVEGCSA-N 1 0 211.255 3.155 40 0 BGABRO CC(C)(C)C[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968436 342965266 /nfs/dbraw/zinc/96/52/66/342965266.db2.gz BKGTWKBKNRKBBI-LLVKDONJSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)(C)C[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968437 166602746 /nfs/dbraw/zinc/60/27/46/166602746.db2.gz BKGTWKBKNRKBBI-NSHDSACASA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)N(Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000020072404 188006681 /nfs/dbraw/zinc/00/66/81/188006681.db2.gz MIFWXVSJISDBNY-INIZCTEOSA-N 1 0 246.398 3.039 40 0 BGABRO CC[N@H+](CC1(N)CCCCC1)C1CCCCC1 ZINC000020073399 388754557 /nfs/dbraw/zinc/75/45/57/388754557.db2.gz IPTFWQLWRJVADH-UHFFFAOYSA-N 1 0 238.419 3.303 40 0 BGABRO C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020083811 384573467 /nfs/dbraw/zinc/57/34/67/384573467.db2.gz LYWJSJUOBXSXMJ-NSHDSACASA-N 1 0 207.317 3.002 40 0 BGABRO C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020083814 384573955 /nfs/dbraw/zinc/57/39/55/384573955.db2.gz LYWJSJUOBXSXMJ-LLVKDONJSA-N 1 0 207.317 3.002 40 0 BGABRO CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020084532 170141799 /nfs/dbraw/zinc/14/17/99/170141799.db2.gz KTHUZGCVPQWAOU-LBPRGKRZSA-N 1 0 221.344 3.392 40 0 BGABRO CC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020084534 170159527 /nfs/dbraw/zinc/15/95/27/170159527.db2.gz KTHUZGCVPQWAOU-GFCCVEGCSA-N 1 0 221.344 3.392 40 0 BGABRO CCCCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000020085505 342968278 /nfs/dbraw/zinc/96/82/78/342968278.db2.gz YEHLEQMCZARIPS-UHFFFAOYSA-N 1 0 221.344 3.364 40 0 BGABRO CC(C)C[NH2+]Cc1nc2ccccc2s1 ZINC000020136015 167010010 /nfs/dbraw/zinc/01/00/10/167010010.db2.gz PLNOTNRQGXVDBY-UHFFFAOYSA-N 1 0 220.341 3.042 40 0 BGABRO COc1ccc([C@@H]([NH3+])CCC(C)C)cc1 ZINC000020252086 175179609 /nfs/dbraw/zinc/17/96/09/175179609.db2.gz PSMDLDWELMSNCQ-ZDUSSCGKSA-N 1 0 207.317 3.131 40 0 BGABRO COc1ccc([C@H]([NH3+])CCC(C)C)cc1 ZINC000020252087 175191685 /nfs/dbraw/zinc/19/16/85/175191685.db2.gz PSMDLDWELMSNCQ-CYBMUJFWSA-N 1 0 207.317 3.131 40 0 BGABRO CC(C)CC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000020252231 384603242 /nfs/dbraw/zinc/60/32/42/384603242.db2.gz RODXHPBROCACEM-GFCCVEGCSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)CC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000020252233 342978439 /nfs/dbraw/zinc/97/84/39/342978439.db2.gz RODXHPBROCACEM-LBPRGKRZSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)CC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000020252240 384603111 /nfs/dbraw/zinc/60/31/11/384603111.db2.gz UUDXHPQWIHBOBS-GFCCVEGCSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)CC[C@H]([NH3+])c1ccc(F)cc1F ZINC000020252242 342978513 /nfs/dbraw/zinc/97/85/13/342978513.db2.gz UUDXHPQWIHBOBS-LBPRGKRZSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)CC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000020252267 384603199 /nfs/dbraw/zinc/60/31/99/384603199.db2.gz DMPGRQFKPCAMSR-GFCCVEGCSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)CC[C@H]([NH3+])c1cc(F)ccc1F ZINC000020252269 342978546 /nfs/dbraw/zinc/97/85/46/342978546.db2.gz DMPGRQFKPCAMSR-LBPRGKRZSA-N 1 0 213.271 3.401 40 0 BGABRO [NH2+]=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020275027 181206850 /nfs/dbraw/zinc/20/68/50/181206850.db2.gz SEROEAWGKCUDFZ-UHFFFAOYSA-N 1 0 217.218 3.381 40 0 BGABRO CN(C)c1cccc(Oc2ccc(C[NH3+])cc2)c1 ZINC000020352283 172568344 /nfs/dbraw/zinc/56/83/44/172568344.db2.gz ZOYNTFBFLSRTII-UHFFFAOYSA-N 1 0 242.322 3.004 40 0 BGABRO CC(C)(C)c1ccc(OCC[NH2+]C2CC2)cc1 ZINC000020361163 187418785 /nfs/dbraw/zinc/41/87/85/187418785.db2.gz IKKPXTCOVJJGPH-UHFFFAOYSA-N 1 0 233.355 3.115 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000020391938 397963909 /nfs/dbraw/zinc/96/39/09/397963909.db2.gz KQJNWEUHGJEKFH-WHFVKQHSSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000020391941 397963836 /nfs/dbraw/zinc/96/38/36/397963836.db2.gz KQJNWEUHGJEKFH-JMOVZRAMSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000020391944 397964089 /nfs/dbraw/zinc/96/40/89/397964089.db2.gz KQJNWEUHGJEKFH-BDODKLCJSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000020391947 397963861 /nfs/dbraw/zinc/96/38/61/397963861.db2.gz KQJNWEUHGJEKFH-WQGWLQIFSA-N 1 0 230.138 3.444 40 0 BGABRO CC(C)c1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000020392236 371277943 /nfs/dbraw/zinc/27/79/43/371277943.db2.gz CARPVSQLWBUNLD-HONMWMINSA-N 1 0 203.329 3.261 40 0 BGABRO CC(C)c1ccc([C@H]2C[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000020392238 397963831 /nfs/dbraw/zinc/96/38/31/397963831.db2.gz CARPVSQLWBUNLD-LERXQTSPSA-N 1 0 203.329 3.261 40 0 BGABRO CC(C)c1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1 ZINC000020392240 371277822 /nfs/dbraw/zinc/27/78/22/371277822.db2.gz CARPVSQLWBUNLD-SWHYSGLUSA-N 1 0 203.329 3.261 40 0 BGABRO CC(C)c1ccc([C@H]2C[C@H]2[C@@H](C)[NH3+])cc1 ZINC000020392242 371277221 /nfs/dbraw/zinc/27/72/21/371277221.db2.gz CARPVSQLWBUNLD-DDTOSNHZSA-N 1 0 203.329 3.261 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000020392489 175811025 /nfs/dbraw/zinc/81/10/25/175811025.db2.gz KLEBMUWQQXXIQE-FKTZTGRPSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000020392492 397964180 /nfs/dbraw/zinc/96/41/80/397964180.db2.gz KLEBMUWQQXXIQE-UJNFCWOMSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000020392494 175814291 /nfs/dbraw/zinc/81/42/91/175814291.db2.gz KLEBMUWQQXXIQE-SZEHBUNVSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000020392495 397963917 /nfs/dbraw/zinc/96/39/17/397963917.db2.gz KLEBMUWQQXXIQE-FXBDTBDDSA-N 1 0 229.245 3.156 40 0 BGABRO CCCCC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000020481208 168740074 /nfs/dbraw/zinc/74/00/74/168740074.db2.gz XHRHWDRQAQNQJW-CYBMUJFWSA-N 1 0 207.317 3.275 40 0 BGABRO CCCCC[C@H]([NH3+])c1ccc(OC)cc1 ZINC000020481210 342986746 /nfs/dbraw/zinc/98/67/46/342986746.db2.gz XHRHWDRQAQNQJW-ZDUSSCGKSA-N 1 0 207.317 3.275 40 0 BGABRO CCCC[NH+](CCCC)C[C@@H](N)[C@@H](C)CC ZINC000020485801 388772878 /nfs/dbraw/zinc/77/28/78/388772878.db2.gz HWBASRAHRWRYJQ-UONOGXRCSA-N 1 0 228.424 3.262 40 0 BGABRO CCCC[NH+](CCCC)C[C@H](N)[C@@H](C)CC ZINC000020485804 388773012 /nfs/dbraw/zinc/77/30/12/388773012.db2.gz HWBASRAHRWRYJQ-KBPBESRZSA-N 1 0 228.424 3.262 40 0 BGABRO CCCC[NH+](CCCC)C[C@@H](N)[C@H](C)CC ZINC000020485807 385682747 /nfs/dbraw/zinc/68/27/47/385682747.db2.gz HWBASRAHRWRYJQ-ZIAGYGMSSA-N 1 0 228.424 3.262 40 0 BGABRO CCCC[NH+](CCCC)C[C@H](N)[C@H](C)CC ZINC000020485810 388773083 /nfs/dbraw/zinc/77/30/83/388773083.db2.gz HWBASRAHRWRYJQ-KGLIPLIRSA-N 1 0 228.424 3.262 40 0 BGABRO CCCC[NH+](CCCC)C[C@@H](N)CC(C)C ZINC000020485828 388773239 /nfs/dbraw/zinc/77/32/39/388773239.db2.gz FANBOYMPXGQXPR-AWEZNQCLSA-N 1 0 228.424 3.262 40 0 BGABRO CCCC[NH+](CCCC)C[C@H](N)CC(C)C ZINC000020485831 385682933 /nfs/dbraw/zinc/68/29/33/385682933.db2.gz FANBOYMPXGQXPR-CQSZACIVSA-N 1 0 228.424 3.262 40 0 BGABRO CCCCN(CCCC)C[C@@H]1CCCC[NH2+]1 ZINC000020485843 388772640 /nfs/dbraw/zinc/77/26/40/388772640.db2.gz HZVJBJLWGZYJRZ-AWEZNQCLSA-N 1 0 226.408 3.031 40 0 BGABRO CCCCN(CCCC)C[C@H]1CCCC[NH2+]1 ZINC000020485846 388772974 /nfs/dbraw/zinc/77/29/74/388772974.db2.gz HZVJBJLWGZYJRZ-CQSZACIVSA-N 1 0 226.408 3.031 40 0 BGABRO CCN(Cc1ccccc1)CC1([NH3+])CCCCC1 ZINC000020486602 388773286 /nfs/dbraw/zinc/77/32/86/388773286.db2.gz BMPFIPIXIIKRDZ-UHFFFAOYSA-N 1 0 246.398 3.170 40 0 BGABRO CCC[C@@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000020521814 169393816 /nfs/dbraw/zinc/39/38/16/169393816.db2.gz WJRCHHLQVWDCNI-SNVBAGLBSA-N 1 0 213.708 3.149 40 0 BGABRO CCC[C@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000020521815 342989561 /nfs/dbraw/zinc/98/95/61/342989561.db2.gz WJRCHHLQVWDCNI-JTQLQIEISA-N 1 0 213.708 3.149 40 0 BGABRO COc1ccc([C@@H]([NH3+])C(C)C)cc1Cl ZINC000020521896 175178932 /nfs/dbraw/zinc/17/89/32/175178932.db2.gz ANOHDCKTZBFPSP-NSHDSACASA-N 1 0 213.708 3.004 40 0 BGABRO COc1ccc([C@H]([NH3+])C(C)C)cc1Cl ZINC000020521897 175190759 /nfs/dbraw/zinc/19/07/59/175190759.db2.gz ANOHDCKTZBFPSP-LLVKDONJSA-N 1 0 213.708 3.004 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000020594458 344510100 /nfs/dbraw/zinc/51/01/00/344510100.db2.gz DLZVKBOURYYRGL-PPKCKEKNSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000020594459 344510107 /nfs/dbraw/zinc/51/01/07/344510107.db2.gz DLZVKBOURYYRGL-BKDNQFJXSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000020594460 344509871 /nfs/dbraw/zinc/50/98/71/344509871.db2.gz DLZVKBOURYYRGL-AVPPRXQKSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000020594461 398043893 /nfs/dbraw/zinc/04/38/93/398043893.db2.gz DLZVKBOURYYRGL-WHGOUJPWSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020594518 384624321 /nfs/dbraw/zinc/62/43/21/384624321.db2.gz SRUWKSINWHQELT-PPKCKEKNSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020594519 342992313 /nfs/dbraw/zinc/99/23/13/342992313.db2.gz SRUWKSINWHQELT-BKDNQFJXSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020594520 384623120 /nfs/dbraw/zinc/62/31/20/384623120.db2.gz SRUWKSINWHQELT-AVPPRXQKSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020594521 342992267 /nfs/dbraw/zinc/99/22/67/342992267.db2.gz SRUWKSINWHQELT-WHGOUJPWSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020594522 384624759 /nfs/dbraw/zinc/62/47/59/384624759.db2.gz MJQIECYQQZPMMJ-BWVDBABLSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020594523 342992250 /nfs/dbraw/zinc/99/22/50/342992250.db2.gz MJQIECYQQZPMMJ-CNUIFLNQSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020594524 384623008 /nfs/dbraw/zinc/62/30/08/384623008.db2.gz MJQIECYQQZPMMJ-FTLITQJKSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020594525 342992199 /nfs/dbraw/zinc/99/21/99/342992199.db2.gz MJQIECYQQZPMMJ-NBEYISGCSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000020594538 344510069 /nfs/dbraw/zinc/51/00/69/344510069.db2.gz FVGCAAWGHXAZTQ-PPKCKEKNSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000020594539 344509885 /nfs/dbraw/zinc/50/98/85/344509885.db2.gz FVGCAAWGHXAZTQ-BKDNQFJXSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000020594540 344509959 /nfs/dbraw/zinc/50/99/59/344509959.db2.gz FVGCAAWGHXAZTQ-AVPPRXQKSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000020594541 398044002 /nfs/dbraw/zinc/04/40/02/398044002.db2.gz FVGCAAWGHXAZTQ-WHGOUJPWSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000020594546 175811418 /nfs/dbraw/zinc/81/14/18/175811418.db2.gz VJELBKBGSDAXGS-FKTZTGRPSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000020594547 342992260 /nfs/dbraw/zinc/99/22/60/342992260.db2.gz VJELBKBGSDAXGS-UJNFCWOMSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000020594548 384624724 /nfs/dbraw/zinc/62/47/24/384624724.db2.gz VJELBKBGSDAXGS-SZEHBUNVSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000020594549 342992219 /nfs/dbraw/zinc/99/22/19/342992219.db2.gz VJELBKBGSDAXGS-FXBDTBDDSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000020594634 384624104 /nfs/dbraw/zinc/62/41/04/384624104.db2.gz XSVSHOPSLOIPAO-BWVDBABLSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000020594635 176768497 /nfs/dbraw/zinc/76/84/97/176768497.db2.gz XSVSHOPSLOIPAO-CNUIFLNQSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000020594636 384624283 /nfs/dbraw/zinc/62/42/83/384624283.db2.gz XSVSHOPSLOIPAO-FTLITQJKSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000020594637 342992142 /nfs/dbraw/zinc/99/21/42/342992142.db2.gz XSVSHOPSLOIPAO-NBEYISGCSA-N 1 0 230.138 3.444 40 0 BGABRO CCCCOc1ccc(C[NH2+]CCC)cc1 ZINC000021793160 343021077 /nfs/dbraw/zinc/02/10/77/343021077.db2.gz SOIRCOSMRNSFJV-UHFFFAOYSA-N 1 0 221.344 3.365 40 0 BGABRO CC(C)Oc1ccc(C2(C[NH3+])CCCC2)cc1 ZINC000021948210 167291494 /nfs/dbraw/zinc/29/14/94/167291494.db2.gz MQJIPZOTLDICGW-UHFFFAOYSA-N 1 0 233.355 3.244 40 0 BGABRO [NH3+]Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000021951531 385333266 /nfs/dbraw/zinc/33/32/66/385333266.db2.gz YVGWZHIESSVCAW-UHFFFAOYSA-N 1 0 241.212 3.424 40 0 BGABRO Fc1ccc([C@H]2C[NH2+]CCc3ccccc32)cc1 ZINC000021983399 343031969 /nfs/dbraw/zinc/03/19/69/343031969.db2.gz GBBVQEALALXZDI-MRXNPFEDSA-N 1 0 241.309 3.103 40 0 BGABRO CC(C)[N@H+](C)CCc1c[nH]c2ccccc12 ZINC000022001985 188109151 /nfs/dbraw/zinc/10/91/51/188109151.db2.gz KTQJVAJLJZIKKD-UHFFFAOYSA-N 1 0 216.328 3.051 40 0 in-vitro BGABRO [NH3+]Cc1ccc(/C=C/c2ccccc2)cc1 ZINC000022004567 384723162 /nfs/dbraw/zinc/72/31/62/384723162.db2.gz CTTPWMUJYDYVHC-VOTSOKGWSA-N 1 0 209.292 3.316 40 0 BGABRO CCCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000022007622 132332326 /nfs/dbraw/zinc/33/23/26/132332326.db2.gz VBSTXRUAXCTZBQ-UHFFFAOYSA-N 1 0 246.398 3.389 40 0 BGABRO Nc1[nH+]cc2n1-c1ccccc1Cc1ccccc1-2 ZINC000022055514 343037496 /nfs/dbraw/zinc/03/74/96/343037496.db2.gz HQGAYYUSWZSGDC-UHFFFAOYSA-N 1 0 247.301 3.026 40 0 in-vitro BGABRO CCCC[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000022122072 411310762 /nfs/dbraw/zinc/31/07/62/411310762.db2.gz LHDURFYYLGJKGW-UHFFFAOYSA-N 1 0 237.734 3.106 40 0 BGABRO CC(C)(C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000022122076 343040361 /nfs/dbraw/zinc/04/03/61/343040361.db2.gz IJSJHLPQUYEQEF-UHFFFAOYSA-N 1 0 237.734 3.104 40 0 BGABRO Cc1[nH]c2ccc3ccccc3c2c1CC[NH3+] ZINC000022130252 343041001 /nfs/dbraw/zinc/04/10/01/343041001.db2.gz JGSGXVBESZVJTC-UHFFFAOYSA-N 1 0 224.307 3.131 40 0 BGABRO Nc1[nH+]cc(-c2ccccc2)n1Cc1ccccc1 ZINC000022130289 343040920 /nfs/dbraw/zinc/04/09/20/343040920.db2.gz QUPYRAKCUMVXSV-UHFFFAOYSA-N 1 0 249.317 3.181 40 0 BGABRO CCCCCn1c(N)[nH+]cc1-c1ccccc1 ZINC000022130294 343041180 /nfs/dbraw/zinc/04/11/80/343041180.db2.gz GKGFUZRPOWKYPW-UHFFFAOYSA-N 1 0 229.327 3.323 40 0 BGABRO Cc1[nH]c2c(cc(C)cc2Cl)c1CCC[NH3+] ZINC000022130373 178061305 /nfs/dbraw/zinc/06/13/05/178061305.db2.gz ZSJXEWOHJLQLTI-UHFFFAOYSA-N 1 0 236.746 3.329 40 0 BGABRO C[C@@H]([NH3+])c1cccc(OC2CCCC2)c1 ZINC000022165509 385895340 /nfs/dbraw/zinc/89/53/40/385895340.db2.gz RYPHNGPMFRLDAP-SNVBAGLBSA-N 1 0 205.301 3.028 40 0 BGABRO C[C@H]([NH3+])c1cccc(OC2CCCC2)c1 ZINC000022165512 176777394 /nfs/dbraw/zinc/77/73/94/176777394.db2.gz RYPHNGPMFRLDAP-JTQLQIEISA-N 1 0 205.301 3.028 40 0 BGABRO C[C@@H]([NH3+])c1ccccc1OC1CCCC1 ZINC000022209530 188355265 /nfs/dbraw/zinc/35/52/65/188355265.db2.gz ZKLNFPAXVBJISZ-SNVBAGLBSA-N 1 0 205.301 3.028 40 0 BGABRO C[C@H]([NH3+])c1ccccc1OC1CCCC1 ZINC000022209532 350086423 /nfs/dbraw/zinc/08/64/23/350086423.db2.gz ZKLNFPAXVBJISZ-JTQLQIEISA-N 1 0 205.301 3.028 40 0 BGABRO c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000024737660 183402127 /nfs/dbraw/zinc/40/21/27/183402127.db2.gz YRPAMRAMUWHMQL-MRXNPFEDSA-N 1 0 238.334 3.071 40 0 BGABRO c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000024737666 384831735 /nfs/dbraw/zinc/83/17/35/384831735.db2.gz YRPAMRAMUWHMQL-INIZCTEOSA-N 1 0 238.334 3.071 40 0 BGABRO [NH3+]CC1(c2c(F)cccc2Cl)CCCC1 ZINC000026513172 181361380 /nfs/dbraw/zinc/36/13/80/181361380.db2.gz GTXTXUQMKSGFDO-UHFFFAOYSA-N 1 0 227.710 3.250 40 0 BGABRO C[NH+](C)C[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000026738326 384797848 /nfs/dbraw/zinc/79/78/48/384797848.db2.gz QOVGVRHIJYHFST-HNNXBMFYSA-N 1 0 247.382 3.027 40 0 in-vitro BGABRO C[NH+](C)C[C@H](c1ccccc1)C1(O)CCCCC1 ZINC000026738336 384798877 /nfs/dbraw/zinc/79/88/77/384798877.db2.gz QOVGVRHIJYHFST-OAHLLOKOSA-N 1 0 247.382 3.027 40 0 in-vitro BGABRO C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000026895467 384886994 /nfs/dbraw/zinc/88/69/94/384886994.db2.gz QBQNOLXBAYSVNM-UHFFFAOYSA-N 1 0 232.302 3.116 40 0 BGABRO Cc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC000026895538 178937238 /nfs/dbraw/zinc/93/72/38/178937238.db2.gz CYVMQJVZEUVNCK-UHFFFAOYSA-N 1 0 228.339 3.286 40 0 BGABRO C[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000028711869 173037312 /nfs/dbraw/zinc/03/73/12/173037312.db2.gz UFMVKWVVWRCTER-CQSZACIVSA-N 1 0 212.296 3.002 40 0 in-vitro BGABRO C[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000028711870 173058299 /nfs/dbraw/zinc/05/82/99/173058299.db2.gz UFMVKWVVWRCTER-AWEZNQCLSA-N 1 0 212.296 3.002 40 0 in-vitro BGABRO [NH2+]=C(Cc1ccccc1)Nc1ccccc1 ZINC000031555195 385962576 /nfs/dbraw/zinc/96/25/76/385962576.db2.gz LLOALMRTLRWDKM-UHFFFAOYSA-N 1 0 210.280 3.318 40 0 BGABRO c1ccc2nc(CC[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000031628286 385090846 /nfs/dbraw/zinc/09/08/46/385090846.db2.gz YSBPMMIOSDLMAM-AWEZNQCLSA-N 1 0 240.350 3.310 40 0 in-vitro BGABRO c1ccc2nc(CC[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000031628289 183459136 /nfs/dbraw/zinc/45/91/36/183459136.db2.gz YSBPMMIOSDLMAM-CQSZACIVSA-N 1 0 240.350 3.310 40 0 in-vitro BGABRO Clc1ccc2sc3c(c2c1)CC[NH2+]C3 ZINC000031716794 343223383 /nfs/dbraw/zinc/22/33/83/343223383.db2.gz QUYWGYYUNJPLCY-UHFFFAOYSA-N 1 0 223.728 3.200 40 0 BGABRO O=[N+]1CCCC1=CCC=Cc1ccccc1 ZINC000031749321 187938576 /nfs/dbraw/zinc/93/85/76/187938576.db2.gz GDYVRHUFZSBPOD-AVWDGMTFSA-N 1 0 213.280 3.001 40 0 BGABRO C(=C1C=CC=C1)[N@@H+]1CCc2ccccc2C1 ZINC000031772003 343224361 /nfs/dbraw/zinc/22/43/61/343224361.db2.gz YVSDOOIKBIXGPT-UHFFFAOYSA-N 1 0 209.292 3.055 40 0 BGABRO [NH2+]=C(/C=C\c1ccccc1)N1CCCCC1 ZINC000031923399 181185095 /nfs/dbraw/zinc/18/50/95/181185095.db2.gz FMRSKRASDBZGPB-QGPKIQPISA-N 1 0 214.312 3.163 40 0 BGABRO [NH3+]Cc1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000032002859 385306449 /nfs/dbraw/zinc/30/64/49/385306449.db2.gz XTJKDZHBFXXBBH-UHFFFAOYSA-N 1 0 219.234 3.091 40 0 BGABRO CCCCOc1ccccc1C[NH2+]CCC ZINC000032014079 343228198 /nfs/dbraw/zinc/22/81/98/343228198.db2.gz YNIQTJCMTUWODE-UHFFFAOYSA-N 1 0 221.344 3.365 40 0 BGABRO CC(C)COc1ccccc1C[NH2+]C(C)C ZINC000032014080 385119842 /nfs/dbraw/zinc/11/98/42/385119842.db2.gz NKMNYGJYCHQLSW-UHFFFAOYSA-N 1 0 221.344 3.219 40 0 BGABRO CCC[NH2+]Cc1ccccc1OCC(C)C ZINC000032014081 169267965 /nfs/dbraw/zinc/26/79/65/169267965.db2.gz VTNODUJTPPTIAJ-UHFFFAOYSA-N 1 0 221.344 3.221 40 0 BGABRO CC(C)COc1ccc(C[NH2+]C(C)C)cc1 ZINC000032014089 190984324 /nfs/dbraw/zinc/98/43/24/190984324.db2.gz VGEZRCWBFTVLNN-UHFFFAOYSA-N 1 0 221.344 3.219 40 0 BGABRO Cc1cc(N)c2cc(C(F)(F)F)ccc2[nH+]1 ZINC000032099396 178103888 /nfs/dbraw/zinc/10/38/88/178103888.db2.gz NSNCJGFDMIRSNJ-UHFFFAOYSA-N 1 0 226.201 3.144 40 0 BGABRO Cc1cc(N)c2ccc(Cl)c(C)c2[nH+]1 ZINC000032099426 178103169 /nfs/dbraw/zinc/10/31/69/178103169.db2.gz ZACVKCIJELDDTG-UHFFFAOYSA-N 1 0 206.676 3.087 40 0 BGABRO c1cc2n(c1)CC[NH2+][C@@H]2c1cccc2ccccc21 ZINC000032500390 385982763 /nfs/dbraw/zinc/98/27/63/385982763.db2.gz OWTUXKULWWLBOM-QGZVFWFLSA-N 1 0 248.329 3.334 40 0 BGABRO c1cc2n(c1)CC[NH2+][C@H]2c1cccc2ccccc21 ZINC000032500391 385981116 /nfs/dbraw/zinc/98/11/16/385981116.db2.gz OWTUXKULWWLBOM-KRWDZBQOSA-N 1 0 248.329 3.334 40 0 BGABRO CC(C)C[NH2+]Cc1ccccc1OCC(C)C ZINC000033465620 167009607 /nfs/dbraw/zinc/00/96/07/167009607.db2.gz SEMRUYWWXAIZOS-UHFFFAOYSA-N 1 0 235.371 3.467 40 0 BGABRO CC(C)C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000033465625 167008268 /nfs/dbraw/zinc/00/82/68/167008268.db2.gz RQJSPAVMUUZRQK-UHFFFAOYSA-N 1 0 235.371 3.467 40 0 BGABRO CC(C)(C)c1ccc(C(C)(C)C[NH3+])cc1 ZINC000033487049 343255207 /nfs/dbraw/zinc/25/52/07/343255207.db2.gz FXZACVVCQOWRCU-UHFFFAOYSA-N 1 0 205.345 3.220 40 0 BGABRO [NH3+]CC1(c2ccccc2Cl)CCCC1 ZINC000033487079 181362945 /nfs/dbraw/zinc/36/29/45/181362945.db2.gz LEBRXDRWBGDITQ-UHFFFAOYSA-N 1 0 209.720 3.111 40 0 BGABRO CC(C)([NH3+])c1cc(Cl)ccc1Cl ZINC000033487299 188111171 /nfs/dbraw/zinc/11/11/71/188111171.db2.gz YGSQSTTXNCYOMQ-UHFFFAOYSA-N 1 0 204.100 3.187 40 0 BGABRO Clc1ccc(Cl)c(C2CC[NH2+]CC2)c1 ZINC000033487501 180582032 /nfs/dbraw/zinc/58/20/32/180582032.db2.gz AACHKVZUMQDFBA-UHFFFAOYSA-N 1 0 230.138 3.460 40 0 BGABRO Cc1ccc(Cl)cc1C1CC[NH2+]CC1 ZINC000033487506 178662570 /nfs/dbraw/zinc/66/25/70/178662570.db2.gz DGCODHWYHOSLAP-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccccc1Cl ZINC000033647597 385255634 /nfs/dbraw/zinc/25/56/34/385255634.db2.gz AYTXQMWGRNAJBA-VIFPVBQESA-N 1 0 239.746 3.299 40 0 in-vitro BGABRO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccccc1Cl ZINC000033647599 385257443 /nfs/dbraw/zinc/25/74/43/385257443.db2.gz AYTXQMWGRNAJBA-SECBINFHSA-N 1 0 239.746 3.299 40 0 in-vitro BGABRO FC(F)(F)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000033853013 385270740 /nfs/dbraw/zinc/27/07/40/385270740.db2.gz NAAXALWMZKHEHY-JTQLQIEISA-N 1 0 229.245 3.172 40 0 BGABRO [NH3+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC000033911144 181342392 /nfs/dbraw/zinc/34/23/92/181342392.db2.gz APOFVAGARSINKA-UHFFFAOYSA-N 1 0 209.720 3.325 40 0 BGABRO c1[nH]c2ccccc2c1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000033978990 343780317 /nfs/dbraw/zinc/78/03/17/343780317.db2.gz OMUWOOCASHIXLS-YOGCLGLASA-N 1 0 226.323 3.166 40 0 BGABRO OCCCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000034484091 183043971 /nfs/dbraw/zinc/04/39/71/183043971.db2.gz SXNYWACHEZSLBF-UHFFFAOYSA-N 1 0 247.382 3.061 40 0 BGABRO CC[C@@H]([NH3+])COCc1ccc(Cl)cc1Cl ZINC000034571167 170865135 /nfs/dbraw/zinc/86/51/35/170865135.db2.gz LZDRPAKBBIGSKL-SNVBAGLBSA-N 1 0 248.153 3.247 40 0 BGABRO C[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000034597566 173350584 /nfs/dbraw/zinc/35/05/84/173350584.db2.gz AFOXBJMTVXJFLL-UHFFFAOYSA-N 1 0 218.127 3.145 40 0 BGABRO c1ccc([C@H]2C[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000034620360 411149951 /nfs/dbraw/zinc/14/99/51/411149951.db2.gz KCUJZQHVIDHUQU-HZPDHXFCSA-N 1 0 223.319 3.157 40 0 BGABRO CC[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000034657797 170127172 /nfs/dbraw/zinc/12/71/72/170127172.db2.gz MVZXAVJEELHZOG-UHFFFAOYSA-N 1 0 219.328 3.118 40 0 BGABRO CCC[NH2+]Cc1ccc(O[C@@H](C)CC)cc1 ZINC000034657881 169268159 /nfs/dbraw/zinc/26/81/59/169268159.db2.gz CHAXGPINNGKZBW-LBPRGKRZSA-N 1 0 221.344 3.364 40 0 BGABRO CCC[NH2+]Cc1ccc(O[C@H](C)CC)cc1 ZINC000034657883 169268219 /nfs/dbraw/zinc/26/82/19/169268219.db2.gz CHAXGPINNGKZBW-GFCCVEGCSA-N 1 0 221.344 3.364 40 0 BGABRO CC[C@@H](C)Oc1ccc(C[NH2+]C(C)C)cc1 ZINC000034658023 398014541 /nfs/dbraw/zinc/01/45/41/398014541.db2.gz HBIMEHRJAXZOGZ-GFCCVEGCSA-N 1 0 221.344 3.362 40 0 BGABRO CC[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1 ZINC000034658026 171356542 /nfs/dbraw/zinc/35/65/42/171356542.db2.gz HBIMEHRJAXZOGZ-LBPRGKRZSA-N 1 0 221.344 3.362 40 0 BGABRO CC(C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000034658063 167119497 /nfs/dbraw/zinc/11/94/97/167119497.db2.gz VJXBYHKGBASPSB-UHFFFAOYSA-N 1 0 247.260 3.126 40 0 BGABRO CC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000034658718 170129691 /nfs/dbraw/zinc/12/96/91/170129691.db2.gz SBDLXJFKAIUGLE-UHFFFAOYSA-N 1 0 219.328 3.118 40 0 BGABRO CCC[NH2+]Cc1ccccc1O[C@@H](C)CC ZINC000034658795 169267753 /nfs/dbraw/zinc/26/77/53/169267753.db2.gz NKYVPOJZXLGMFU-LBPRGKRZSA-N 1 0 221.344 3.364 40 0 BGABRO CCC[NH2+]Cc1ccccc1O[C@H](C)CC ZINC000034658797 169267842 /nfs/dbraw/zinc/26/78/42/169267842.db2.gz NKYVPOJZXLGMFU-GFCCVEGCSA-N 1 0 221.344 3.364 40 0 BGABRO CC[C@@H](C)Oc1ccccc1C[NH2+]C(C)C ZINC000034658949 398014277 /nfs/dbraw/zinc/01/42/77/398014277.db2.gz BCLWRLADUVUFQE-GFCCVEGCSA-N 1 0 221.344 3.362 40 0 BGABRO CC[C@H](C)Oc1ccccc1C[NH2+]C(C)C ZINC000034658951 171356951 /nfs/dbraw/zinc/35/69/51/171356951.db2.gz BCLWRLADUVUFQE-LBPRGKRZSA-N 1 0 221.344 3.362 40 0 BGABRO CC(C)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000034658996 167121269 /nfs/dbraw/zinc/12/12/69/167121269.db2.gz LCKRTOIAGXBCKM-UHFFFAOYSA-N 1 0 247.260 3.126 40 0 BGABRO CCOc1cc(C[NH2+]C)ccc1OC1CCCC1 ZINC000034815740 343278931 /nfs/dbraw/zinc/27/89/31/343278931.db2.gz DUBVPQOCQDWHGH-UHFFFAOYSA-N 1 0 249.354 3.126 40 0 BGABRO CC(C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000034816613 167119584 /nfs/dbraw/zinc/11/95/84/167119584.db2.gz GWFNGRBINIDLFS-UHFFFAOYSA-N 1 0 247.260 3.126 40 0 BGABRO CC[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000034816989 170127802 /nfs/dbraw/zinc/12/78/02/170127802.db2.gz RPDWWURPTSFHKB-UHFFFAOYSA-N 1 0 249.354 3.126 40 0 BGABRO CCCCOc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034818758 343278800 /nfs/dbraw/zinc/27/88/00/343278800.db2.gz GZXKLZDPTLCFNX-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCCCOc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034818760 188284605 /nfs/dbraw/zinc/28/46/05/188284605.db2.gz GZXKLZDPTLCFNX-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034818986 343278961 /nfs/dbraw/zinc/27/89/61/343278961.db2.gz KPBIROIXEBXVSP-GHMZBOCLSA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034818987 171355857 /nfs/dbraw/zinc/35/58/57/171355857.db2.gz KPBIROIXEBXVSP-WDEREUQCSA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034818989 343278956 /nfs/dbraw/zinc/27/89/56/343278956.db2.gz KPBIROIXEBXVSP-MNOVXSKESA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034818990 171355834 /nfs/dbraw/zinc/35/58/34/171355834.db2.gz KPBIROIXEBXVSP-QWRGUYRKSA-N 1 0 207.317 3.144 40 0 BGABRO C[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000034819177 173418971 /nfs/dbraw/zinc/41/89/71/173418971.db2.gz GGVKGNRLSYUVRQ-NSHDSACASA-N 1 0 219.328 3.288 40 0 BGABRO C[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000034819179 385290620 /nfs/dbraw/zinc/29/06/20/385290620.db2.gz GGVKGNRLSYUVRQ-LLVKDONJSA-N 1 0 219.328 3.288 40 0 BGABRO C[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000034820338 385291057 /nfs/dbraw/zinc/29/10/57/385291057.db2.gz ZCSRSAPBSDDQAK-LLVKDONJSA-N 1 0 207.317 3.002 40 0 BGABRO C[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000034820340 385290738 /nfs/dbraw/zinc/29/07/38/385290738.db2.gz ZCSRSAPBSDDQAK-NSHDSACASA-N 1 0 207.317 3.002 40 0 BGABRO CCCCOc1ccccc1[C@@H](C)[NH2+]C ZINC000034820346 343278745 /nfs/dbraw/zinc/27/87/45/343278745.db2.gz FPYFPGZKWREHBK-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCCCOc1ccccc1[C@H](C)[NH2+]C ZINC000034820348 168920745 /nfs/dbraw/zinc/92/07/45/168920745.db2.gz FPYFPGZKWREHBK-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]C ZINC000034820567 343278787 /nfs/dbraw/zinc/27/87/87/343278787.db2.gz MWOXEEXJLGSFLN-GHMZBOCLSA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]C ZINC000034820568 171356813 /nfs/dbraw/zinc/35/68/13/171356813.db2.gz MWOXEEXJLGSFLN-WDEREUQCSA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+]C ZINC000034820570 343278986 /nfs/dbraw/zinc/27/89/86/343278986.db2.gz MWOXEEXJLGSFLN-MNOVXSKESA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]C ZINC000034820572 171356790 /nfs/dbraw/zinc/35/67/90/171356790.db2.gz MWOXEEXJLGSFLN-QWRGUYRKSA-N 1 0 207.317 3.144 40 0 BGABRO C[NH2+][C@@H](C)c1ccccc1OC1CCCC1 ZINC000034820752 385291235 /nfs/dbraw/zinc/29/12/35/385291235.db2.gz YICMKRMYISWOTM-NSHDSACASA-N 1 0 219.328 3.288 40 0 BGABRO C[NH2+][C@H](C)c1ccccc1OC1CCCC1 ZINC000034820754 385290497 /nfs/dbraw/zinc/29/04/97/385290497.db2.gz YICMKRMYISWOTM-LLVKDONJSA-N 1 0 219.328 3.288 40 0 BGABRO CC[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000034820770 170142213 /nfs/dbraw/zinc/14/22/13/170142213.db2.gz QCCVWPGFGKHFKN-LBPRGKRZSA-N 1 0 221.344 3.392 40 0 BGABRO CC[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000034820772 170160025 /nfs/dbraw/zinc/16/00/25/170160025.db2.gz QCCVWPGFGKHFKN-GFCCVEGCSA-N 1 0 221.344 3.392 40 0 BGABRO CCCOc1ccccc1[C@@H](C)[NH2+]CC ZINC000034820995 169327274 /nfs/dbraw/zinc/32/72/74/169327274.db2.gz DDWSYEFZNLUCBA-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCCOc1ccccc1[C@H](C)[NH2+]CC ZINC000034820996 169328213 /nfs/dbraw/zinc/32/82/13/169328213.db2.gz DDWSYEFZNLUCBA-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000034821059 170142023 /nfs/dbraw/zinc/14/20/23/170142023.db2.gz URAPYWJIQXYZRI-NSHDSACASA-N 1 0 207.317 3.144 40 0 BGABRO CC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000034821061 170160433 /nfs/dbraw/zinc/16/04/33/170160433.db2.gz URAPYWJIQXYZRI-LLVKDONJSA-N 1 0 207.317 3.144 40 0 BGABRO C[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000034821867 384394113 /nfs/dbraw/zinc/39/41/13/384394113.db2.gz GEMKVSCNDODVKB-LLVKDONJSA-N 1 0 207.317 3.002 40 0 BGABRO C[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000034821869 173420103 /nfs/dbraw/zinc/42/01/03/173420103.db2.gz GEMKVSCNDODVKB-NSHDSACASA-N 1 0 207.317 3.002 40 0 BGABRO CCCCOc1cccc([C@@H](C)[NH2+]C)c1 ZINC000034821874 168920135 /nfs/dbraw/zinc/92/01/35/168920135.db2.gz XTXNJNQCDRJYGG-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCCCOc1cccc([C@H](C)[NH2+]C)c1 ZINC000034821876 342881709 /nfs/dbraw/zinc/88/17/09/342881709.db2.gz XTXNJNQCDRJYGG-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+]C)c1 ZINC000034822107 170766602 /nfs/dbraw/zinc/76/66/02/170766602.db2.gz QAOZZMQECMJGSB-GHMZBOCLSA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]C)c1 ZINC000034822109 171357327 /nfs/dbraw/zinc/35/73/27/171357327.db2.gz QAOZZMQECMJGSB-WDEREUQCSA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+]C)c1 ZINC000034822111 342881725 /nfs/dbraw/zinc/88/17/25/342881725.db2.gz QAOZZMQECMJGSB-MNOVXSKESA-N 1 0 207.317 3.144 40 0 BGABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]C)c1 ZINC000034822113 171357103 /nfs/dbraw/zinc/35/71/03/171357103.db2.gz QAOZZMQECMJGSB-QWRGUYRKSA-N 1 0 207.317 3.144 40 0 BGABRO C[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000034822217 173419796 /nfs/dbraw/zinc/41/97/96/173419796.db2.gz ADHNTNCRTWJNNF-NSHDSACASA-N 1 0 219.328 3.288 40 0 BGABRO C[NH2+][C@H](C)c1cccc(OC2CCCC2)c1 ZINC000034822218 173449407 /nfs/dbraw/zinc/44/94/07/173449407.db2.gz ADHNTNCRTWJNNF-LLVKDONJSA-N 1 0 219.328 3.288 40 0 BGABRO CC[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000034822225 170141917 /nfs/dbraw/zinc/14/19/17/170141917.db2.gz WHZCCBXMPAFOOS-LBPRGKRZSA-N 1 0 221.344 3.392 40 0 BGABRO CC[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000034822226 170160316 /nfs/dbraw/zinc/16/03/16/170160316.db2.gz WHZCCBXMPAFOOS-GFCCVEGCSA-N 1 0 221.344 3.392 40 0 BGABRO CCCOc1cccc([C@@H](C)[NH2+]CC)c1 ZINC000034822351 169326019 /nfs/dbraw/zinc/32/60/19/169326019.db2.gz MQRHOYAYGYCYLH-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO CCCOc1cccc([C@H](C)[NH2+]CC)c1 ZINC000034822352 169326128 /nfs/dbraw/zinc/32/61/28/169326128.db2.gz MQRHOYAYGYCYLH-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000034822387 170142258 /nfs/dbraw/zinc/14/22/58/170142258.db2.gz XVAWAHFSABDUSJ-NSHDSACASA-N 1 0 207.317 3.144 40 0 BGABRO CC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000034822388 170159890 /nfs/dbraw/zinc/15/98/90/170159890.db2.gz XVAWAHFSABDUSJ-LLVKDONJSA-N 1 0 207.317 3.144 40 0 BGABRO CCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000034822405 169276681 /nfs/dbraw/zinc/27/66/81/169276681.db2.gz DAIADNUQYSPJEJ-NSHDSACASA-N 1 0 207.317 3.146 40 0 BGABRO CCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000034822406 169287011 /nfs/dbraw/zinc/28/70/11/169287011.db2.gz DAIADNUQYSPJEJ-LLVKDONJSA-N 1 0 207.317 3.146 40 0 BGABRO [NH3+]Cc1c(-c2ccccc2)cc2ccccn21 ZINC000034936155 398018075 /nfs/dbraw/zinc/01/80/75/398018075.db2.gz OPRUNGNWMGEKFG-UHFFFAOYSA-N 1 0 222.291 3.065 40 0 BGABRO Cc1ccc(-c2cc3ccccn3c2C[NH3+])cc1 ZINC000034936156 178322213 /nfs/dbraw/zinc/32/22/13/178322213.db2.gz KXXWAIOZVXSBID-UHFFFAOYSA-N 1 0 236.318 3.373 40 0 BGABRO [NH3+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000034975321 383822123 /nfs/dbraw/zinc/82/21/23/383822123.db2.gz BADPFFKAORDKFU-UHFFFAOYSA-N 1 0 241.212 3.424 40 0 BGABRO CC(C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000034977708 167116443 /nfs/dbraw/zinc/11/64/43/167116443.db2.gz JSWRJRMDQJIVAG-UHFFFAOYSA-N 1 0 218.127 3.491 40 0 BGABRO CCCCCC[NH2+]CC[NH2+]CCCCCC ZINC000035052519 343283740 /nfs/dbraw/zinc/28/37/40/343283740.db2.gz VCUPOEDTGSOKCM-UHFFFAOYSA-N 1 0 228.424 3.326 40 0 BGABRO CCCCC[NH2+]Cc1cc(C)ccc1OC ZINC000035161701 384017353 /nfs/dbraw/zinc/01/73/53/384017353.db2.gz KXDIBYLZPLKHQK-UHFFFAOYSA-N 1 0 221.344 3.283 40 0 BGABRO COc1ccc(C)cc1C[NH2+]C1CCCCC1 ZINC000035161735 175075589 /nfs/dbraw/zinc/07/55/89/175075589.db2.gz RKXMACFBOLRRPM-UHFFFAOYSA-N 1 0 233.355 3.426 40 0 BGABRO COc1ccc(C)cc1C[NH2+]CCC(C)C ZINC000035161767 384016556 /nfs/dbraw/zinc/01/65/56/384016556.db2.gz PMMFTLCQYJHTFT-UHFFFAOYSA-N 1 0 221.344 3.139 40 0 BGABRO COc1ccc(C)cc1C[NH2+]C1CCCC1 ZINC000035161815 175074528 /nfs/dbraw/zinc/07/45/28/175074528.db2.gz XAFOCPHJAWAGFB-UHFFFAOYSA-N 1 0 219.328 3.036 40 0 BGABRO CC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000035199198 383841892 /nfs/dbraw/zinc/84/18/92/383841892.db2.gz UGADEKOSKBRAKG-VIFPVBQESA-N 1 0 204.100 3.403 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000035199201 170869556 /nfs/dbraw/zinc/86/95/56/170869556.db2.gz UGADEKOSKBRAKG-SECBINFHSA-N 1 0 204.100 3.403 40 0 BGABRO CCC(C)(C)[NH2+]Cc1cc(C)ccc1OC ZINC000035219727 388611333 /nfs/dbraw/zinc/61/13/33/388611333.db2.gz LVHKFXNKPBVWFT-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO CCCC[NH2+]Cc1cccn1Cc1ccccc1 ZINC000035293071 383851046 /nfs/dbraw/zinc/85/10/46/383851046.db2.gz CFEPOVLEBNREJR-UHFFFAOYSA-N 1 0 242.366 3.426 40 0 BGABRO CCC[NH2+]Cc1cccn1Cc1ccccc1 ZINC000035293072 169268233 /nfs/dbraw/zinc/26/82/33/169268233.db2.gz CBLLPOOWANENTH-UHFFFAOYSA-N 1 0 228.339 3.036 40 0 BGABRO Fc1ccc([C@H]2[NH2+]CCc3sccc32)cc1 ZINC000035369996 345849906 /nfs/dbraw/zinc/84/99/06/345849906.db2.gz LJRZKBCXVFASGK-CYBMUJFWSA-N 1 0 233.311 3.122 40 0 BGABRO Fc1ccc([C@@H]2[NH2+]CCc3sccc32)cc1 ZINC000035369997 345850032 /nfs/dbraw/zinc/85/00/32/345850032.db2.gz LJRZKBCXVFASGK-ZDUSSCGKSA-N 1 0 233.311 3.122 40 0 BGABRO Cc1ccccc1[C@H]1[NH2+]CCc2sccc21 ZINC000035405147 179351387 /nfs/dbraw/zinc/35/13/87/179351387.db2.gz IHXJPLDDGSHDKN-CQSZACIVSA-N 1 0 229.348 3.292 40 0 BGABRO Cc1ccccc1[C@@H]1[NH2+]CCc2sccc21 ZINC000035405149 179331615 /nfs/dbraw/zinc/33/16/15/179331615.db2.gz IHXJPLDDGSHDKN-AWEZNQCLSA-N 1 0 229.348 3.292 40 0 BGABRO Cc1ccc2oc([C@H]3CC[N@@H+](C(C)C)C3)nc2c1 ZINC000035446516 188103349 /nfs/dbraw/zinc/10/33/49/188103349.db2.gz CKYNGDAEVXCMAF-LBPRGKRZSA-N 1 0 244.338 3.334 40 0 biogenic,in-vitro BGABRO Cc1ccc2[nH]c([C@H]3CC[N@@H+](C(C)C)C3)nc2c1 ZINC000035446578 357243340 /nfs/dbraw/zinc/24/33/40/357243340.db2.gz JIQAUKJUTYBZBY-LBPRGKRZSA-N 1 0 243.354 3.069 40 0 biogenic,in-vitro BGABRO FC(F)(F)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000035570773 383863349 /nfs/dbraw/zinc/86/33/49/383863349.db2.gz DPGBDWYHWVSZPK-JTQLQIEISA-N 1 0 229.245 3.172 40 0 BGABRO FC(F)(F)c1ccccc1[C@H]1CCC[NH2+]C1 ZINC000035570781 180895394 /nfs/dbraw/zinc/89/53/94/180895394.db2.gz GMBXLAPSTOMCJI-VIFPVBQESA-N 1 0 229.245 3.172 40 0 BGABRO CCC[NH2+][C@@H](CC)c1cc(OC)ccc1OC ZINC000035577813 169278064 /nfs/dbraw/zinc/27/80/64/169278064.db2.gz AOPOEVBKUGJLLF-ZDUSSCGKSA-N 1 0 237.343 3.155 40 0 BGABRO CCC[NH2+][C@H](CC)c1cc(OC)ccc1OC ZINC000035577816 169288379 /nfs/dbraw/zinc/28/83/79/169288379.db2.gz AOPOEVBKUGJLLF-CYBMUJFWSA-N 1 0 237.343 3.155 40 0 BGABRO CCC[NH2+][C@@H](CC)c1ccc(OC)cc1OC ZINC000035581449 169278184 /nfs/dbraw/zinc/27/81/84/169278184.db2.gz WZXXIGFXMWZIEU-ZDUSSCGKSA-N 1 0 237.343 3.155 40 0 BGABRO CCC[NH2+][C@H](CC)c1ccc(OC)cc1OC ZINC000035581450 169287879 /nfs/dbraw/zinc/28/78/79/169287879.db2.gz WZXXIGFXMWZIEU-CYBMUJFWSA-N 1 0 237.343 3.155 40 0 BGABRO [NH3+]Cc1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000035655525 383867230 /nfs/dbraw/zinc/86/72/30/383867230.db2.gz SAJBJEUOIGIECL-UHFFFAOYSA-N 1 0 243.093 3.107 40 0 BGABRO Cc1cc(C)cc(C2([NH3+])CCCCC2)c1 ZINC000035660858 358017802 /nfs/dbraw/zinc/01/78/02/358017802.db2.gz ZYGSJPQMJHNRJS-UHFFFAOYSA-N 1 0 203.329 3.422 40 0 BGABRO C[C@@H](C[NH3+])CSc1ccc(Cl)cc1 ZINC000035722525 342758464 /nfs/dbraw/zinc/75/84/64/342758464.db2.gz ZQUZVSKPAPPBNL-QMMMGPOBSA-N 1 0 215.749 3.027 40 0 BGABRO C[C@H](C[NH3+])CSc1ccc(Cl)cc1 ZINC000035722526 342758417 /nfs/dbraw/zinc/75/84/17/342758417.db2.gz ZQUZVSKPAPPBNL-MRVPVSSYSA-N 1 0 215.749 3.027 40 0 BGABRO C[C@@H](c1cccs1)n1c(N)[nH+]c2ccccc21 ZINC000035737220 176033812 /nfs/dbraw/zinc/03/38/12/176033812.db2.gz CHANQOHQSVTVAM-VIFPVBQESA-N 1 0 243.335 3.120 40 0 BGABRO C[C@H](c1cccs1)n1c(N)[nH+]c2ccccc21 ZINC000035737221 177049826 /nfs/dbraw/zinc/04/98/26/177049826.db2.gz CHANQOHQSVTVAM-SECBINFHSA-N 1 0 243.335 3.120 40 0 BGABRO [NH3+]CCCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000036205356 259312326 /nfs/dbraw/zinc/31/23/26/259312326.db2.gz VYLKOGMLNQXYLC-UHFFFAOYSA-N 1 0 237.652 3.250 40 0 BGABRO CC(C)(C)c1ccc2c(N)[nH+]ccc2c1 ZINC000036258023 384417954 /nfs/dbraw/zinc/41/79/54/384417954.db2.gz LQUIOPYBCSAARR-UHFFFAOYSA-N 1 0 200.285 3.115 40 0 BGABRO CN(C)c1ccc(Nc2ccccc2N)cc1 ZINC000036335192 188255416 /nfs/dbraw/zinc/25/54/16/188255416.db2.gz FXNOYDLZGRSCIA-UHFFFAOYSA-N 1 0 227.311 3.078 40 0 BGABRO c1ccc2sc([C@@H]3CCCC[NH2+]C3)nc2c1 ZINC000036624782 183462898 /nfs/dbraw/zinc/46/28/98/183462898.db2.gz IQGHFPLIWMDPMA-SNVBAGLBSA-N 1 0 232.352 3.153 40 0 BGABRO c1ccc2sc([C@H]3CCCC[NH2+]C3)nc2c1 ZINC000036624783 183462946 /nfs/dbraw/zinc/46/29/46/183462946.db2.gz IQGHFPLIWMDPMA-JTQLQIEISA-N 1 0 232.352 3.153 40 0 BGABRO c1ccc(CSCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000036625056 383904751 /nfs/dbraw/zinc/90/47/51/383904751.db2.gz SYTBIHICTFGLMI-AWEZNQCLSA-N 1 0 235.396 3.452 40 0 BGABRO c1ccc(CSCC[C@H]2CCCC[NH2+]2)cc1 ZINC000036625057 383904968 /nfs/dbraw/zinc/90/49/68/383904968.db2.gz SYTBIHICTFGLMI-CQSZACIVSA-N 1 0 235.396 3.452 40 0 BGABRO Cc1cc(OCC[NH2+]C2CC2)cc(C)c1Cl ZINC000036683396 178211114 /nfs/dbraw/zinc/21/11/14/178211114.db2.gz AXUCQKWOOHYLPK-UHFFFAOYSA-N 1 0 239.746 3.088 40 0 BGABRO CC(C)c1ccc2c(c1)[C@H]([NH3+])CC(C)(C)O2 ZINC000036720541 343323179 /nfs/dbraw/zinc/32/31/79/343323179.db2.gz VHIKNCOHKSLIBP-GFCCVEGCSA-N 1 0 219.328 3.371 40 0 BGABRO CC(C)c1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)O2 ZINC000036720543 343323048 /nfs/dbraw/zinc/32/30/48/343323048.db2.gz VHIKNCOHKSLIBP-LBPRGKRZSA-N 1 0 219.328 3.371 40 0 BGABRO CCC1(CC)C[C@H]([NH3+])c2ccccc2O1 ZINC000036720545 383907933 /nfs/dbraw/zinc/90/79/33/383907933.db2.gz PHICMYWDSLMMLC-NSHDSACASA-N 1 0 205.301 3.028 40 0 BGABRO CCC1(CC)C[C@@H]([NH3+])c2ccccc2O1 ZINC000036720547 383907558 /nfs/dbraw/zinc/90/75/58/383907558.db2.gz PHICMYWDSLMMLC-LLVKDONJSA-N 1 0 205.301 3.028 40 0 BGABRO CCC[C@H]([NH3+])c1ccc(OCC)c(C)c1 ZINC000036720557 169505347 /nfs/dbraw/zinc/50/53/47/169505347.db2.gz NSIDYQXKDUCENV-LBPRGKRZSA-N 1 0 207.317 3.194 40 0 BGABRO CCC[C@@H]([NH3+])c1ccc(OCC)c(C)c1 ZINC000036720559 169393685 /nfs/dbraw/zinc/39/36/85/169393685.db2.gz NSIDYQXKDUCENV-GFCCVEGCSA-N 1 0 207.317 3.194 40 0 BGABRO CCOc1ccc([C@H]([NH3+])C(C)C)cc1C ZINC000036720561 343323200 /nfs/dbraw/zinc/32/32/00/343323200.db2.gz TXGRIDSQPZWFSW-CYBMUJFWSA-N 1 0 207.317 3.050 40 0 BGABRO CCOc1ccc([C@@H]([NH3+])C(C)C)cc1C ZINC000036720564 170558863 /nfs/dbraw/zinc/55/88/63/170558863.db2.gz TXGRIDSQPZWFSW-ZDUSSCGKSA-N 1 0 207.317 3.050 40 0 BGABRO CCCOc1ccc([C@H]([NH3+])CC)cc1C ZINC000036720570 169322400 /nfs/dbraw/zinc/32/24/00/169322400.db2.gz ABNJLNIMYJWDEL-GFCCVEGCSA-N 1 0 207.317 3.194 40 0 BGABRO CCCOc1ccc([C@@H]([NH3+])CC)cc1C ZINC000036720572 169321380 /nfs/dbraw/zinc/32/13/80/169321380.db2.gz ABNJLNIMYJWDEL-LBPRGKRZSA-N 1 0 207.317 3.194 40 0 BGABRO CCCOc1ccc([C@H]([NH3+])C(C)C)cc1C ZINC000036720578 169322594 /nfs/dbraw/zinc/32/25/94/169322594.db2.gz RXOVFIDFHAVVNJ-CQSZACIVSA-N 1 0 221.344 3.440 40 0 BGABRO CCCOc1ccc([C@@H]([NH3+])C(C)C)cc1C ZINC000036720580 169321667 /nfs/dbraw/zinc/32/16/67/169321667.db2.gz RXOVFIDFHAVVNJ-AWEZNQCLSA-N 1 0 221.344 3.440 40 0 BGABRO CCOc1ccc([C@@H]([NH3+])CC)cc1Cl ZINC000036720582 170558938 /nfs/dbraw/zinc/55/89/38/170558938.db2.gz UONQDCUHNBQGQK-JTQLQIEISA-N 1 0 213.708 3.149 40 0 BGABRO CCOc1ccc([C@H]([NH3+])CC)cc1Cl ZINC000036720584 343323077 /nfs/dbraw/zinc/32/30/77/343323077.db2.gz UONQDCUHNBQGQK-SNVBAGLBSA-N 1 0 213.708 3.149 40 0 BGABRO CCOc1ccc([C@H]([NH3+])C(C)C)cc1Cl ZINC000036720590 343323075 /nfs/dbraw/zinc/32/30/75/343323075.db2.gz NQOVOMCTSNEQKC-GFCCVEGCSA-N 1 0 227.735 3.395 40 0 BGABRO CCOc1ccc([C@@H]([NH3+])C(C)C)cc1Cl ZINC000036720592 343323161 /nfs/dbraw/zinc/32/31/61/343323161.db2.gz NQOVOMCTSNEQKC-LBPRGKRZSA-N 1 0 227.735 3.395 40 0 BGABRO CCCOc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000036720594 169321037 /nfs/dbraw/zinc/32/10/37/169321037.db2.gz KYAMQBNHXPXXDE-MRVPVSSYSA-N 1 0 213.708 3.149 40 0 BGABRO CCCOc1ccc([C@H](C)[NH3+])cc1Cl ZINC000036720596 169321651 /nfs/dbraw/zinc/32/16/51/169321651.db2.gz KYAMQBNHXPXXDE-QMMMGPOBSA-N 1 0 213.708 3.149 40 0 BGABRO Nc1ccccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809459 259412124 /nfs/dbraw/zinc/41/21/24/259412124.db2.gz MOMSVKZLGOQVJK-UONOGXRCSA-N 1 0 244.382 3.281 40 0 BGABRO Nc1ccccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000036809460 385571382 /nfs/dbraw/zinc/57/13/82/385571382.db2.gz MOMSVKZLGOQVJK-ZIAGYGMSSA-N 1 0 244.382 3.281 40 0 BGABRO C[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000036819047 385822335 /nfs/dbraw/zinc/82/23/35/385822335.db2.gz XPDBINZKILWHLU-UHFFFAOYSA-N 1 0 219.259 3.114 40 0 BGABRO CCC[C@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000036873522 385823085 /nfs/dbraw/zinc/82/30/85/385823085.db2.gz BQIGKJJAZAESCS-HNNXBMFYSA-N 1 0 234.387 3.024 40 0 BGABRO CCCC[NH+](CCCC)C[C@H](N)CCC ZINC000036873610 385821965 /nfs/dbraw/zinc/82/19/65/385821965.db2.gz BIWHLMPQTKLPPE-CYBMUJFWSA-N 1 0 214.397 3.016 40 0 BGABRO CC(C)[C@H]([NH3+])c1nc2ccccc2n1C1CC1 ZINC000036896053 385590070 /nfs/dbraw/zinc/59/00/70/385590070.db2.gz FSKXDVFVGQWCSA-ZDUSSCGKSA-N 1 0 229.327 3.027 40 0 BGABRO CC(C)[C@@H]([NH3+])c1nc2ccccc2n1C1CC1 ZINC000036896054 385590693 /nfs/dbraw/zinc/59/06/93/385590693.db2.gz FSKXDVFVGQWCSA-CYBMUJFWSA-N 1 0 229.327 3.027 40 0 BGABRO CC(C)C[C@H]([NH3+])c1nc2ccccc2n1C1CC1 ZINC000036896057 385589729 /nfs/dbraw/zinc/58/97/29/385589729.db2.gz LEORPYNWCOOJKN-LBPRGKRZSA-N 1 0 243.354 3.417 40 0 BGABRO CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C1CC1 ZINC000036896058 385590030 /nfs/dbraw/zinc/59/00/30/385590030.db2.gz LEORPYNWCOOJKN-GFCCVEGCSA-N 1 0 243.354 3.417 40 0 BGABRO [NH3+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000036927692 383921809 /nfs/dbraw/zinc/92/18/09/383921809.db2.gz JGYIKCCXLXRJRU-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO [NH3+][C@@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000036928641 387864701 /nfs/dbraw/zinc/86/47/01/387864701.db2.gz HCGUZBOMQQHGMH-SECBINFHSA-N 1 0 232.110 3.166 40 0 BGABRO [NH3+][C@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000036928642 387864311 /nfs/dbraw/zinc/86/43/11/387864311.db2.gz HCGUZBOMQQHGMH-VIFPVBQESA-N 1 0 232.110 3.166 40 0 BGABRO Clc1ccc(Cl)c(C[NH2+]C2CC2)c1 ZINC000036947985 343306367 /nfs/dbraw/zinc/30/63/67/343306367.db2.gz SLIJLIIYVJPUSY-UHFFFAOYSA-N 1 0 216.111 3.245 40 0 BGABRO Cc1ccc([C@@H](CN)[NH+]2CCC(C)CC2)cc1C ZINC000037179862 397971499 /nfs/dbraw/zinc/97/14/99/397971499.db2.gz JOTBXVYROIIMPX-MRXNPFEDSA-N 1 0 246.398 3.035 40 0 BGABRO Cc1ccc([C@H](CN)[NH+]2CCC(C)CC2)cc1C ZINC000037179864 349769651 /nfs/dbraw/zinc/76/96/51/349769651.db2.gz JOTBXVYROIIMPX-INIZCTEOSA-N 1 0 246.398 3.035 40 0 BGABRO Cc1ccc([C@@H](CN)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000037179897 397971642 /nfs/dbraw/zinc/97/16/42/397971642.db2.gz DTAWFXAEAUFMQG-BLLLJJGKSA-N 1 0 246.398 3.035 40 0 BGABRO Cc1ccc([C@H](CN)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000037179899 349770838 /nfs/dbraw/zinc/77/08/38/349770838.db2.gz DTAWFXAEAUFMQG-LRDDRELGSA-N 1 0 246.398 3.035 40 0 BGABRO C[C@@H](C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000037245696 344082904 /nfs/dbraw/zinc/08/29/04/344082904.db2.gz SIDXHSKBEWQENN-ZDUSSCGKSA-N 1 0 225.335 3.413 40 0 BGABRO C[C@H](C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000037245698 344082905 /nfs/dbraw/zinc/08/29/05/344082905.db2.gz SIDXHSKBEWQENN-CYBMUJFWSA-N 1 0 225.335 3.413 40 0 BGABRO COc1ccc2ccccc2c1[C@H]1C[C@H]1[C@H](C)[NH3+] ZINC000037290059 175227038 /nfs/dbraw/zinc/22/70/38/175227038.db2.gz RAGZGTJZPACCCG-BPNCWPANSA-N 1 0 241.334 3.299 40 0 BGABRO COc1ccc2ccccc2c1[C@H]1C[C@H]1[C@@H](C)[NH3+] ZINC000037290060 175226577 /nfs/dbraw/zinc/22/65/77/175226577.db2.gz RAGZGTJZPACCCG-SWHYSGLUSA-N 1 0 241.334 3.299 40 0 BGABRO COc1ccc2ccccc2c1[C@H]1C[C@@H]1[C@H](C)[NH3+] ZINC000037290061 175226490 /nfs/dbraw/zinc/22/64/90/175226490.db2.gz RAGZGTJZPACCCG-GDLCADMTSA-N 1 0 241.334 3.299 40 0 BGABRO COc1ccc2ccccc2c1[C@H]1C[C@@H]1[C@@H](C)[NH3+] ZINC000037290062 175226360 /nfs/dbraw/zinc/22/63/60/175226360.db2.gz RAGZGTJZPACCCG-HONMWMINSA-N 1 0 241.334 3.299 40 0 BGABRO CC[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000037333052 343343452 /nfs/dbraw/zinc/34/34/52/343343452.db2.gz VFLPICJWFQLLSY-AWEZNQCLSA-N 1 0 231.339 3.134 40 0 in-vitro BGABRO CC[C@H](C(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000037333054 171242148 /nfs/dbraw/zinc/24/21/48/171242148.db2.gz VFLPICJWFQLLSY-CQSZACIVSA-N 1 0 231.339 3.134 40 0 in-vitro BGABRO C[C@H]([NH3+])CCc1c(Cl)cccc1Cl ZINC000037408537 343344884 /nfs/dbraw/zinc/34/48/84/343344884.db2.gz KAJLLZILNVLIPZ-ZETCQYMHSA-N 1 0 218.127 3.273 40 0 BGABRO C[C@@H]([NH3+])CCc1c(Cl)cccc1Cl ZINC000037408538 383974084 /nfs/dbraw/zinc/97/40/84/383974084.db2.gz KAJLLZILNVLIPZ-SSDOTTSWSA-N 1 0 218.127 3.273 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000037424709 343345546 /nfs/dbraw/zinc/34/55/46/343345546.db2.gz WNWSBPNDGIFKLC-NRZXQICZSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000037424711 383974129 /nfs/dbraw/zinc/97/41/29/383974129.db2.gz WNWSBPNDGIFKLC-LIEZGIJOSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000037424712 176773953 /nfs/dbraw/zinc/77/39/53/176773953.db2.gz WNWSBPNDGIFKLC-MQOMDTIOSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000037424714 383974209 /nfs/dbraw/zinc/97/42/09/383974209.db2.gz WNWSBPNDGIFKLC-DIMCTHFVSA-N 1 0 230.138 3.444 40 0 BGABRO CCCn1c2ccc(Cl)cc2nc1[C@@H](C)[NH3+] ZINC000037440504 348584894 /nfs/dbraw/zinc/58/48/94/348584894.db2.gz HQJZBDMCIRWNDF-MRVPVSSYSA-N 1 0 237.734 3.119 40 0 BGABRO CCCn1c2ccc(Cl)cc2nc1[C@H](C)[NH3+] ZINC000037440505 348585063 /nfs/dbraw/zinc/58/50/63/348585063.db2.gz HQJZBDMCIRWNDF-QMMMGPOBSA-N 1 0 237.734 3.119 40 0 BGABRO CC(C)n1c2ccc(Cl)cc2nc1[C@@H](C)[NH3+] ZINC000037440629 348585069 /nfs/dbraw/zinc/58/50/69/348585069.db2.gz NARYPMYQGOONDG-MRVPVSSYSA-N 1 0 237.734 3.290 40 0 BGABRO CC(C)n1c2ccc(Cl)cc2nc1[C@H](C)[NH3+] ZINC000037440630 348585010 /nfs/dbraw/zinc/58/50/10/348585010.db2.gz NARYPMYQGOONDG-QMMMGPOBSA-N 1 0 237.734 3.290 40 0 BGABRO [NH3+][C@@H](c1cccc(F)c1)C1CCCCC1 ZINC000037466101 181564753 /nfs/dbraw/zinc/56/47/53/181564753.db2.gz LHGQDTDTDVPHFB-CYBMUJFWSA-N 1 0 207.292 3.406 40 0 BGABRO [NH3+][C@H](c1cccc(F)c1)C1CCCCC1 ZINC000037466103 343345956 /nfs/dbraw/zinc/34/59/56/343345956.db2.gz LHGQDTDTDVPHFB-ZDUSSCGKSA-N 1 0 207.292 3.406 40 0 BGABRO C[C@H]([NH3+])CCc1ccc(Cl)cc1Cl ZINC000037479281 343347001 /nfs/dbraw/zinc/34/70/01/343347001.db2.gz GNGBIIOOVAJPOA-ZETCQYMHSA-N 1 0 218.127 3.273 40 0 BGABRO C[C@@H]([NH3+])CCc1ccc(Cl)cc1Cl ZINC000037479283 175805634 /nfs/dbraw/zinc/80/56/34/175805634.db2.gz GNGBIIOOVAJPOA-SSDOTTSWSA-N 1 0 218.127 3.273 40 0 BGABRO c1ccc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000037624731 386375136 /nfs/dbraw/zinc/37/51/36/386375136.db2.gz KCUJZQHVIDHUQU-HOTGVXAUSA-N 1 0 223.319 3.157 40 0 BGABRO CC[N@H+](CCc1c[nH]c2ccccc12)C(C)C ZINC000037627596 383990895 /nfs/dbraw/zinc/99/08/95/383990895.db2.gz HQZLBYMOYCJZRF-UHFFFAOYSA-N 1 0 230.355 3.441 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000037628687 323107920 /nfs/dbraw/zinc/10/79/20/323107920.db2.gz ZDJWBYYKEZOCJS-CYBMUJFWSA-N 1 0 204.317 3.019 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000037628689 323107848 /nfs/dbraw/zinc/10/78/48/323107848.db2.gz ZDJWBYYKEZOCJS-ZDUSSCGKSA-N 1 0 204.317 3.019 40 0 BGABRO CCCC[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000037632844 169009108 /nfs/dbraw/zinc/00/91/08/169009108.db2.gz LVDFMEDWJMVBPG-LBPRGKRZSA-N 1 0 216.328 3.228 40 0 BGABRO CCCC[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000037632846 343350330 /nfs/dbraw/zinc/35/03/30/343350330.db2.gz LVDFMEDWJMVBPG-GFCCVEGCSA-N 1 0 216.328 3.228 40 0 BGABRO C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000037948077 259327561 /nfs/dbraw/zinc/32/75/61/259327561.db2.gz KISFXHCTUCJEJF-VIFPVBQESA-N 1 0 231.261 3.246 40 0 BGABRO C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000037948078 259327557 /nfs/dbraw/zinc/32/75/57/259327557.db2.gz KISFXHCTUCJEJF-SECBINFHSA-N 1 0 231.261 3.246 40 0 BGABRO C[NH2+][C@@H](C)CCc1ccc(OC(F)(F)F)cc1 ZINC000038001017 386107491 /nfs/dbraw/zinc/10/74/91/386107491.db2.gz KSNLWSPTJJVMRK-VIFPVBQESA-N 1 0 247.260 3.126 40 0 BGABRO C[NH2+][C@H](C)CCc1ccc(OC(F)(F)F)cc1 ZINC000038001018 386109261 /nfs/dbraw/zinc/10/92/61/386109261.db2.gz KSNLWSPTJJVMRK-SECBINFHSA-N 1 0 247.260 3.126 40 0 BGABRO Cc1ccc(-c2ccc(C[NH3+])c(F)c2)cc1 ZINC000038070018 343783195 /nfs/dbraw/zinc/78/31/95/343783195.db2.gz MRLAMCBXGHVOHU-UHFFFAOYSA-N 1 0 215.271 3.260 40 0 BGABRO Cc1ccc(-c2cc(C[NH3+])ccc2F)cc1 ZINC000038070021 343783474 /nfs/dbraw/zinc/78/34/74/343783474.db2.gz CPNWFSIXAHQLGW-UHFFFAOYSA-N 1 0 215.271 3.260 40 0 BGABRO C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000038070407 173388041 /nfs/dbraw/zinc/38/80/41/173388041.db2.gz BLDUGNOJBPOLGD-UHFFFAOYSA-N 1 0 227.307 3.082 40 0 BGABRO [NH3+]Cc1ccc(-c2ccc(F)cc2)cc1F ZINC000038070756 385312855 /nfs/dbraw/zinc/31/28/55/385312855.db2.gz NOELADDGHHKGES-UHFFFAOYSA-N 1 0 219.234 3.091 40 0 BGABRO Cc1ccc(-c2ccc(C[NH3+])cc2)c(C)c1 ZINC000038072464 178324231 /nfs/dbraw/zinc/32/42/31/178324231.db2.gz GSJLICPKHXSPDD-UHFFFAOYSA-N 1 0 211.308 3.429 40 0 BGABRO C[n+]1ccc(/C=C\c2cccc3ccccc23)cn1 ZINC000038172982 343372410 /nfs/dbraw/zinc/37/24/10/343372410.db2.gz HWPXONLUFDPNNW-KTKRTIGZSA-N 1 0 247.321 3.230 40 0 BGABRO Cc1ccc([C@@H](N)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000038202265 343372654 /nfs/dbraw/zinc/37/26/54/343372654.db2.gz UQUZLWQGLCLOBD-IYBDPMFKSA-N 1 0 240.350 3.003 40 0 BGABRO [NH3+]Cc1ccc2c(ccn2Cc2ccccc2)c1 ZINC000038531643 181486975 /nfs/dbraw/zinc/48/69/75/181486975.db2.gz LASZNBSTUIOIIM-UHFFFAOYSA-N 1 0 236.318 3.148 40 0 BGABRO CC(C)(C)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000038539102 187663317 /nfs/dbraw/zinc/66/33/17/187663317.db2.gz XCXOPGRUDQDJLL-CYBMUJFWSA-N 1 0 217.356 3.451 40 0 BGABRO CC(C)(C)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000038539104 188007109 /nfs/dbraw/zinc/00/71/09/188007109.db2.gz XCXOPGRUDQDJLL-ZDUSSCGKSA-N 1 0 217.356 3.451 40 0 BGABRO Clc1ccc(Cl)c([C@@H]2CCC[NH2+]C2)c1 ZINC000038539122 348709546 /nfs/dbraw/zinc/70/95/46/348709546.db2.gz KXSUSUSXHKVIHR-MRVPVSSYSA-N 1 0 230.138 3.460 40 0 BGABRO Clc1ccc(Cl)c([C@H]2CCC[NH2+]C2)c1 ZINC000038539124 348709791 /nfs/dbraw/zinc/70/97/91/348709791.db2.gz KXSUSUSXHKVIHR-QMMMGPOBSA-N 1 0 230.138 3.460 40 0 BGABRO Cc1ccc([C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000038539149 385667747 /nfs/dbraw/zinc/66/77/47/385667747.db2.gz BSODFOXODMCPJA-SNVBAGLBSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc([C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000038539151 348709643 /nfs/dbraw/zinc/70/96/43/348709643.db2.gz BSODFOXODMCPJA-JTQLQIEISA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(C2CC[NH2+]CC2)c(Cl)c1 ZINC000038539153 178514251 /nfs/dbraw/zinc/51/42/51/178514251.db2.gz AZBQQWZHXUYOLD-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(Cl)cc1[C@@H]1CCC[NH2+]C1 ZINC000038539155 343376899 /nfs/dbraw/zinc/37/68/99/343376899.db2.gz XBGZKIDXBLSDPO-SNVBAGLBSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(Cl)cc1[C@H]1CCC[NH2+]C1 ZINC000038539157 343377041 /nfs/dbraw/zinc/37/70/41/343377041.db2.gz XBGZKIDXBLSDPO-JTQLQIEISA-N 1 0 209.720 3.115 40 0 BGABRO Clc1cccc([C@@H]2CCC[NH2+]C2)c1Cl ZINC000038539163 348709490 /nfs/dbraw/zinc/70/94/90/348709490.db2.gz QZTXKHGLJTUATD-MRVPVSSYSA-N 1 0 230.138 3.460 40 0 BGABRO Clc1cccc([C@H]2CCC[NH2+]C2)c1Cl ZINC000038539165 348709730 /nfs/dbraw/zinc/70/97/30/348709730.db2.gz QZTXKHGLJTUATD-QMMMGPOBSA-N 1 0 230.138 3.460 40 0 BGABRO Clc1ccc([C@@H]2CCC[NH2+]C2)cc1Cl ZINC000038539167 348709996 /nfs/dbraw/zinc/70/99/96/348709996.db2.gz ICQSKAQXLPIUOE-SECBINFHSA-N 1 0 230.138 3.460 40 0 BGABRO Clc1ccc([C@H]2CCC[NH2+]C2)cc1Cl ZINC000038539169 348709516 /nfs/dbraw/zinc/70/95/16/348709516.db2.gz ICQSKAQXLPIUOE-VIFPVBQESA-N 1 0 230.138 3.460 40 0 BGABRO Cc1cc([C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000038539180 178241658 /nfs/dbraw/zinc/24/16/58/178241658.db2.gz UVDOHYDLBCXOFH-LLVKDONJSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cc([C@H]2CCC[NH2+]C2)ccc1Cl ZINC000038539182 178266935 /nfs/dbraw/zinc/26/69/35/178266935.db2.gz UVDOHYDLBCXOFH-NSHDSACASA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cc(C2CC[NH2+]CC2)ccc1Cl ZINC000038539184 348709836 /nfs/dbraw/zinc/70/98/36/348709836.db2.gz GINVEKFAVPBXSY-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc([C@@H]2CCC[NH2+]C2)cc1Cl ZINC000038539221 178873865 /nfs/dbraw/zinc/87/38/65/178873865.db2.gz UEDOOSFGASEOKX-LLVKDONJSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc([C@H]2CCC[NH2+]C2)cc1Cl ZINC000038539223 348710390 /nfs/dbraw/zinc/71/03/90/348710390.db2.gz UEDOOSFGASEOKX-NSHDSACASA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(C2CC[NH2+]CC2)cc1Cl ZINC000038539225 348710575 /nfs/dbraw/zinc/71/05/75/348710575.db2.gz GVGVDUXCDAEGPN-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(Cl)c([C@@H]2CCC[NH2+]C2)c1 ZINC000038539247 348710356 /nfs/dbraw/zinc/71/03/56/348710356.db2.gz FWJVYSLHIMVWRW-SNVBAGLBSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(Cl)c([C@H]2CCC[NH2+]C2)c1 ZINC000038539248 348710517 /nfs/dbraw/zinc/71/05/17/348710517.db2.gz FWJVYSLHIMVWRW-JTQLQIEISA-N 1 0 209.720 3.115 40 0 BGABRO Cc1ccc(Cl)c(C2CC[NH2+]CC2)c1 ZINC000038539250 385667834 /nfs/dbraw/zinc/66/78/34/385667834.db2.gz RUXDFAVFDCHXQN-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cc(Cl)ccc1C1CC[NH2+]CC1 ZINC000038539257 178066073 /nfs/dbraw/zinc/06/60/73/178066073.db2.gz KXQFLHNBBSGFJD-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cc(Cl)ccc1[C@@H]1CCC[NH2+]C1 ZINC000038539259 178070077 /nfs/dbraw/zinc/07/00/77/178070077.db2.gz NUVMYCYYEGZGRH-SNVBAGLBSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cc(Cl)ccc1[C@H]1CCC[NH2+]C1 ZINC000038539261 178070219 /nfs/dbraw/zinc/07/02/19/178070219.db2.gz NUVMYCYYEGZGRH-JTQLQIEISA-N 1 0 209.720 3.115 40 0 BGABRO Fc1cc(C(F)(F)F)ccc1[C@@H]1CCC[NH2+]C1 ZINC000038539309 362963561 /nfs/dbraw/zinc/96/35/61/362963561.db2.gz DYNUJAAAKKWJAC-MRVPVSSYSA-N 1 0 247.235 3.312 40 0 BGABRO Fc1cc(C(F)(F)F)ccc1[C@H]1CCC[NH2+]C1 ZINC000038539311 362963517 /nfs/dbraw/zinc/96/35/17/362963517.db2.gz DYNUJAAAKKWJAC-QMMMGPOBSA-N 1 0 247.235 3.312 40 0 BGABRO Cc1cccc(C2CC[NH2+]CC2)c1Cl ZINC000038539323 187318473 /nfs/dbraw/zinc/31/84/73/187318473.db2.gz FCPSEDLMZLWSCX-UHFFFAOYSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cccc([C@@H]2CCC[NH2+]C2)c1Cl ZINC000038539325 179189605 /nfs/dbraw/zinc/18/96/05/179189605.db2.gz LWXRSFNFDFWTMG-SNVBAGLBSA-N 1 0 209.720 3.115 40 0 BGABRO Cc1cccc([C@H]2CCC[NH2+]C2)c1Cl ZINC000038539327 179204529 /nfs/dbraw/zinc/20/45/29/179204529.db2.gz LWXRSFNFDFWTMG-JTQLQIEISA-N 1 0 209.720 3.115 40 0 BGABRO Fc1cc(Cl)cc(F)c1C1CC[NH2+]CC1 ZINC000038539449 362965857 /nfs/dbraw/zinc/96/58/57/362965857.db2.gz JMFDSMCCCCJYPA-UHFFFAOYSA-N 1 0 231.673 3.085 40 0 BGABRO Fc1cc(Cl)cc(F)c1[C@@H]1CCC[NH2+]C1 ZINC000038539451 362965841 /nfs/dbraw/zinc/96/58/41/362965841.db2.gz LJTJTELCHCGBNI-SSDOTTSWSA-N 1 0 231.673 3.085 40 0 BGABRO Fc1cc(Cl)cc(F)c1[C@H]1CCC[NH2+]C1 ZINC000038539453 180949097 /nfs/dbraw/zinc/94/90/97/180949097.db2.gz LJTJTELCHCGBNI-ZETCQYMHSA-N 1 0 231.673 3.085 40 0 BGABRO O=NC(Cc1ccc(F)cc1)=C1C=C[NH2+]C=C1 ZINC000038858913 384422279 /nfs/dbraw/zinc/42/22/79/384422279.db2.gz UWLHWWXNQWSWFU-UHFFFAOYSA-N 1 0 230.242 3.019 40 0 BGABRO CCc1cccc(C2([NH3+])CCCCC2)c1 ZINC000039100864 358214908 /nfs/dbraw/zinc/21/49/08/358214908.db2.gz DYJNFNKNYTVGOY-UHFFFAOYSA-N 1 0 203.329 3.367 40 0 BGABRO Cc1ccc([C@@H](N)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000039192881 384110030 /nfs/dbraw/zinc/11/00/30/384110030.db2.gz UQUZLWQGLCLOBD-HZPDHXFCSA-N 1 0 240.350 3.003 40 0 BGABRO Cc1ccc([C@H](N)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000039192883 343386750 /nfs/dbraw/zinc/38/67/50/343386750.db2.gz UQUZLWQGLCLOBD-HOTGVXAUSA-N 1 0 240.350 3.003 40 0 BGABRO Cc1ccc(NC(=[NH2+])Nc2ccccc2)cc1 ZINC000039215280 188291135 /nfs/dbraw/zinc/29/11/35/188291135.db2.gz DJOJMFSKYDPHHN-UHFFFAOYSA-N 1 0 225.295 3.454 40 0 BGABRO Cc1oc(-c2ccc(C(C)C)cc2)nc1C[NH3+] ZINC000039320603 343389095 /nfs/dbraw/zinc/38/90/95/343389095.db2.gz PAIPLAFLYUJQFB-UHFFFAOYSA-N 1 0 230.311 3.232 40 0 BGABRO CCC[NH+](CCC)Cc1ccc(C=O)cc1 ZINC000039374409 169148962 /nfs/dbraw/zinc/14/89/62/169148962.db2.gz WZJOSWKQSZRJPD-UHFFFAOYSA-N 1 0 219.328 3.121 40 0 BGABRO CC[C@@H](C)n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC000040163827 384544480 /nfs/dbraw/zinc/54/44/80/384544480.db2.gz PFYQVPZDTZSMFT-NXEZZACHSA-N 1 0 217.316 3.027 40 0 BGABRO CC[C@H](C)n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC000040163828 384544259 /nfs/dbraw/zinc/54/42/59/384544259.db2.gz PFYQVPZDTZSMFT-VHSXEESVSA-N 1 0 217.316 3.027 40 0 BGABRO CC[C@@H](C)n1c2ccccc2nc1[C@H](C)[NH3+] ZINC000040163829 384544575 /nfs/dbraw/zinc/54/45/75/384544575.db2.gz PFYQVPZDTZSMFT-ZJUUUORDSA-N 1 0 217.316 3.027 40 0 BGABRO CC[C@H](C)n1c2ccccc2nc1[C@H](C)[NH3+] ZINC000040163830 384545223 /nfs/dbraw/zinc/54/52/23/384545223.db2.gz PFYQVPZDTZSMFT-UWVGGRQHSA-N 1 0 217.316 3.027 40 0 BGABRO [NH2+]=C(Nc1ccccc1)Nc1ccc(F)cc1 ZINC000040164007 181200236 /nfs/dbraw/zinc/20/02/36/181200236.db2.gz XBLRVGOJNPLBMF-UHFFFAOYSA-N 1 0 229.258 3.284 40 0 BGABRO COc1ccc(NC(=[NH2+])Nc2ccccc2)cc1 ZINC000040164008 187426971 /nfs/dbraw/zinc/42/69/71/187426971.db2.gz USNAVEJHHFOXCI-UHFFFAOYSA-N 1 0 241.294 3.154 40 0 BGABRO Cc1cccc(NC(=[NH2+])Nc2ccccc2)c1 ZINC000040164009 259316000 /nfs/dbraw/zinc/31/60/00/259316000.db2.gz LLDWRRWIYABNGJ-UHFFFAOYSA-N 1 0 225.295 3.454 40 0 BGABRO [NH2+]=C(Nc1ccccc1)Nc1ccccc1F ZINC000040164011 181200447 /nfs/dbraw/zinc/20/04/47/181200447.db2.gz UEJLZHUKHZFZNH-UHFFFAOYSA-N 1 0 229.258 3.284 40 0 BGABRO COc1ccccc1NC(=[NH2+])Nc1ccccc1 ZINC000040164012 259316162 /nfs/dbraw/zinc/31/61/62/259316162.db2.gz PTWWQSBPAJHBHV-UHFFFAOYSA-N 1 0 241.294 3.154 40 0 BGABRO COc1cccc(NC(=[NH2+])Nc2ccccc2)c1 ZINC000040164013 259316187 /nfs/dbraw/zinc/31/61/87/259316187.db2.gz XRVHAZOFIPPCKE-UHFFFAOYSA-N 1 0 241.294 3.154 40 0 BGABRO [NH2+]=C(Nc1ccccc1)Nc1cccc(F)c1 ZINC000040164015 181200583 /nfs/dbraw/zinc/20/05/83/181200583.db2.gz OGKWOTPMLTVLKD-UHFFFAOYSA-N 1 0 229.258 3.284 40 0 BGABRO [NH2+]=C(Nc1ccc(F)cc1)Nc1ccccc1F ZINC000040164023 181199470 /nfs/dbraw/zinc/19/94/70/181199470.db2.gz IITFQHWFWYGVDG-UHFFFAOYSA-N 1 0 247.248 3.424 40 0 BGABRO c1c2ccccc2sc1C[NH2+]C1CC1 ZINC000040222749 384131336 /nfs/dbraw/zinc/13/13/36/384131336.db2.gz OYLRLHKWJGPCLG-UHFFFAOYSA-N 1 0 203.310 3.153 40 0 BGABRO [NH3+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000040238077 385311287 /nfs/dbraw/zinc/31/12/87/385311287.db2.gz UDMWXZHFKCPNCM-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO Fc1ccc([C@@H]2CCC[NH2+]2)cc1Br ZINC000040442602 180981666 /nfs/dbraw/zinc/98/16/66/180981666.db2.gz NXJKUAVUUUVOOC-JTQLQIEISA-N 1 0 244.107 3.013 40 0 BGABRO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000040845108 384166114 /nfs/dbraw/zinc/16/61/14/384166114.db2.gz QQFQGKPYXWBPBJ-MUWHJKNJSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000040898170 384170393 /nfs/dbraw/zinc/17/03/93/384170393.db2.gz HGQVAQJYSRDGDC-SVRRBLITSA-N 1 0 216.111 3.056 40 0 BGABRO CCC[C@@H](C[NH3+])c1ccc2c(c1)CCC2 ZINC000041212245 169383758 /nfs/dbraw/zinc/38/37/58/169383758.db2.gz LXJMVHVXWKHRKD-AWEZNQCLSA-N 1 0 203.329 3.018 40 0 BGABRO CCC[C@H](C[NH3+])c1ccc2c(c1)CCC2 ZINC000041212247 385613166 /nfs/dbraw/zinc/61/31/66/385613166.db2.gz LXJMVHVXWKHRKD-CQSZACIVSA-N 1 0 203.329 3.018 40 0 BGABRO [NH3+][C@@H](c1ccccc1F)C1CCCCC1 ZINC000041216208 343417373 /nfs/dbraw/zinc/41/73/73/343417373.db2.gz IRINBVKAAGYNMO-CYBMUJFWSA-N 1 0 207.292 3.406 40 0 BGABRO [NH3+][C@H](c1ccccc1F)C1CCCCC1 ZINC000041216210 343417343 /nfs/dbraw/zinc/41/73/43/343417343.db2.gz IRINBVKAAGYNMO-ZDUSSCGKSA-N 1 0 207.292 3.406 40 0 BGABRO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000041228051 358737714 /nfs/dbraw/zinc/73/77/14/358737714.db2.gz ZQGDJHVPZJFVNX-SNVBAGLBSA-N 1 0 215.218 3.115 40 0 BGABRO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000041228052 358738705 /nfs/dbraw/zinc/73/87/05/358738705.db2.gz ZQGDJHVPZJFVNX-JTQLQIEISA-N 1 0 215.218 3.115 40 0 BGABRO Fc1ccc(OCC[NH2+]C2CCCCC2)cc1 ZINC000041278732 343418311 /nfs/dbraw/zinc/41/83/11/343418311.db2.gz CPEJXSGEUGMWFH-UHFFFAOYSA-N 1 0 237.318 3.127 40 0 BGABRO CC(C)c1ccc([C@@H](CO)[NH+]2CCCCC2)cc1 ZINC000041299581 358759293 /nfs/dbraw/zinc/75/92/93/358759293.db2.gz QNRNEWYOFYTATL-MRXNPFEDSA-N 1 0 247.382 3.329 40 0 BGABRO CC(C)c1ccc([C@H](CO)[NH+]2CCCCC2)cc1 ZINC000041299582 358759668 /nfs/dbraw/zinc/75/96/68/358759668.db2.gz QNRNEWYOFYTATL-INIZCTEOSA-N 1 0 247.382 3.329 40 0 BGABRO CCCC[NH2+][C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000041609177 388438293 /nfs/dbraw/zinc/43/82/93/388438293.db2.gz FMDPVFRFGCOFKM-JTQLQIEISA-N 1 0 239.746 3.301 40 0 in-vitro BGABRO CCCC[NH2+][C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000041609178 388438314 /nfs/dbraw/zinc/43/83/14/388438314.db2.gz FMDPVFRFGCOFKM-SNVBAGLBSA-N 1 0 239.746 3.301 40 0 in-vitro BGABRO C[C@@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000041664057 343422821 /nfs/dbraw/zinc/42/28/21/343422821.db2.gz QUSOOHREQSWJKE-LURJTMIESA-N 1 0 204.100 3.056 40 0 BGABRO C[C@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000041664062 343422617 /nfs/dbraw/zinc/42/26/17/343422617.db2.gz QUSOOHREQSWJKE-ZCFIWIBFSA-N 1 0 204.100 3.056 40 0 BGABRO C[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000041664068 343422581 /nfs/dbraw/zinc/42/25/81/343422581.db2.gz GKRJXFPWEOSJAK-LURJTMIESA-N 1 0 204.100 3.056 40 0 BGABRO C[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000041664074 343422809 /nfs/dbraw/zinc/42/28/09/343422809.db2.gz GKRJXFPWEOSJAK-ZCFIWIBFSA-N 1 0 204.100 3.056 40 0 BGABRO CC(C)C[NH+](CC(C)C)C[C@H](N)c1ccccc1 ZINC000042033969 385756887 /nfs/dbraw/zinc/75/68/87/385756887.db2.gz FOXPFWFJLOMGDS-INIZCTEOSA-N 1 0 248.414 3.300 40 0 BGABRO CC(C)C[NH+](CC(C)C)C[C@@H](N)c1ccccc1 ZINC000042033971 385755677 /nfs/dbraw/zinc/75/56/77/385755677.db2.gz FOXPFWFJLOMGDS-MRXNPFEDSA-N 1 0 248.414 3.300 40 0 BGABRO CC(C)C[NH+](CC(C)C)CC1(N)CCCCC1 ZINC000042034632 487720517 /nfs/dbraw/zinc/72/05/17/487720517.db2.gz BQHVEDAWLSHEOE-UHFFFAOYSA-N 1 0 240.435 3.262 40 0 BGABRO Cc1ccnc(NCc2ccc(F)cc2)c1 ZINC000042244015 384425198 /nfs/dbraw/zinc/42/51/98/384425198.db2.gz XHDIAXWKFHDIJS-UHFFFAOYSA-N 1 0 216.259 3.141 40 0 BGABRO Cc1ccnc(NCc2ccccc2F)c1 ZINC000042244023 384426173 /nfs/dbraw/zinc/42/61/73/384426173.db2.gz ZSRZJJKDLNQDRZ-UHFFFAOYSA-N 1 0 216.259 3.141 40 0 BGABRO Cc1ccnc(N[C@H]2CCCC[C@@H]2C)c1 ZINC000042244075 384427128 /nfs/dbraw/zinc/42/71/28/384427128.db2.gz KNYJDTTTYSJJIA-RYUDHWBXSA-N 1 0 204.317 3.381 40 0 BGABRO Cc1ccnc(N[C@@H]2CCCC[C@H]2C)c1 ZINC000042244077 384427185 /nfs/dbraw/zinc/42/71/85/384427185.db2.gz KNYJDTTTYSJJIA-VXGBXAGGSA-N 1 0 204.317 3.381 40 0 BGABRO Cc1ccnc(N[C@H]2CCCC[C@H]2C)c1 ZINC000042244079 384426237 /nfs/dbraw/zinc/42/62/37/384426237.db2.gz KNYJDTTTYSJJIA-NEPJUHHUSA-N 1 0 204.317 3.381 40 0 BGABRO CC[N@H+](C)Cc1ccc(Br)cc1F ZINC000042339710 358522720 /nfs/dbraw/zinc/52/27/20/358522720.db2.gz ICWDPYOPMZMJRR-UHFFFAOYSA-N 1 0 246.123 3.040 40 0 BGABRO [NH3+]Cc1cc(-c2cccs2)ccc1F ZINC000042351933 385307244 /nfs/dbraw/zinc/30/72/44/385307244.db2.gz DCSYIJYDGAESAB-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO C[NH2+]Cc1csc(-c2ccccc2)c1 ZINC000042366078 173393235 /nfs/dbraw/zinc/39/32/35/173393235.db2.gz GAQCPKADIOMNJA-UHFFFAOYSA-N 1 0 203.310 3.135 40 0 BGABRO [NH3+][C@@H]1CCc2ccc(OCc3ccccc3)cc21 ZINC000042405121 342774768 /nfs/dbraw/zinc/77/47/68/342774768.db2.gz FVHAUKAAJAJUDH-MRXNPFEDSA-N 1 0 239.318 3.212 40 0 BGABRO [NH3+][C@H]1CCc2ccc(OCc3ccccc3)cc21 ZINC000042405123 181655733 /nfs/dbraw/zinc/65/57/33/181655733.db2.gz FVHAUKAAJAJUDH-INIZCTEOSA-N 1 0 239.318 3.212 40 0 BGABRO Cc1ccsc1C([NH3+])c1sccc1C ZINC000042728721 362020952 /nfs/dbraw/zinc/02/09/52/362020952.db2.gz XVTQCIXKVNNLBX-UHFFFAOYSA-N 1 0 223.366 3.475 40 0 BGABRO CC(C)CCO[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042948576 388610229 /nfs/dbraw/zinc/61/02/29/388610229.db2.gz FRKAYSRXEYTUSC-ZDUSSCGKSA-N 1 0 241.762 3.403 40 0 BGABRO CC(C)CCO[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042948579 388610159 /nfs/dbraw/zinc/61/01/59/388610159.db2.gz FRKAYSRXEYTUSC-CYBMUJFWSA-N 1 0 241.762 3.403 40 0 BGABRO C[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000043321735 387781736 /nfs/dbraw/zinc/78/17/36/387781736.db2.gz AYXHYIHYJOTHAJ-UHFFFAOYSA-N 1 0 219.259 3.114 40 0 BGABRO COc1ccccc1[C@@H]([NH3+])CCC(C)C ZINC000043374346 175347626 /nfs/dbraw/zinc/34/76/26/175347626.db2.gz VZHUFIUJMBIRKJ-LBPRGKRZSA-N 1 0 207.317 3.131 40 0 BGABRO COc1ccccc1[C@H]([NH3+])CCC(C)C ZINC000043374348 175353669 /nfs/dbraw/zinc/35/36/69/175353669.db2.gz VZHUFIUJMBIRKJ-GFCCVEGCSA-N 1 0 207.317 3.131 40 0 BGABRO COc1cccc([C@@H]([NH3+])CCC(C)C)c1 ZINC000043374428 175289183 /nfs/dbraw/zinc/28/91/83/175289183.db2.gz UUDFTKTTYOLINT-ZDUSSCGKSA-N 1 0 207.317 3.131 40 0 BGABRO COc1cccc([C@H]([NH3+])CCC(C)C)c1 ZINC000043374430 175294491 /nfs/dbraw/zinc/29/44/91/175294491.db2.gz UUDFTKTTYOLINT-CYBMUJFWSA-N 1 0 207.317 3.131 40 0 BGABRO c1ccc(CSC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043495086 384278878 /nfs/dbraw/zinc/27/88/78/384278878.db2.gz QMVYBPAAQWXTIF-ZDUSSCGKSA-N 1 0 221.369 3.062 40 0 BGABRO c1ccc(CSC[C@H]2CCCC[NH2+]2)cc1 ZINC000043495089 384279366 /nfs/dbraw/zinc/27/93/66/384279366.db2.gz QMVYBPAAQWXTIF-CYBMUJFWSA-N 1 0 221.369 3.062 40 0 BGABRO c1ccc2oc(SC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000043495184 384278112 /nfs/dbraw/zinc/27/81/12/384278112.db2.gz RROUYMIDPMFJHN-JTQLQIEISA-N 1 0 248.351 3.062 40 0 BGABRO c1ccc2oc(SC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000043495187 384278490 /nfs/dbraw/zinc/27/84/90/384278490.db2.gz RROUYMIDPMFJHN-SNVBAGLBSA-N 1 0 248.351 3.062 40 0 BGABRO C(SC1CCCCC1)C1CC[NH2+]CC1 ZINC000043498243 188121314 /nfs/dbraw/zinc/12/13/14/188121314.db2.gz ZADRGVYEHSCXSF-UHFFFAOYSA-N 1 0 213.390 3.052 40 0 BGABRO C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000043512136 259520505 /nfs/dbraw/zinc/52/05/05/259520505.db2.gz UPFHBRFTOGUECQ-VIFPVBQESA-N 1 0 231.261 3.246 40 0 BGABRO C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000043512137 388612405 /nfs/dbraw/zinc/61/24/05/388612405.db2.gz UPFHBRFTOGUECQ-SECBINFHSA-N 1 0 231.261 3.246 40 0 BGABRO CC(C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532553 167004351 /nfs/dbraw/zinc/00/43/51/167004351.db2.gz BNASQTUKDJKHOB-CYBMUJFWSA-N 1 0 205.345 3.426 40 0 BGABRO CC(C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532555 167005279 /nfs/dbraw/zinc/00/52/79/167005279.db2.gz BNASQTUKDJKHOB-ZDUSSCGKSA-N 1 0 205.345 3.426 40 0 BGABRO CCC[PH+](N(CC)CC)N(CC)CC ZINC000044018827 386115318 /nfs/dbraw/zinc/11/53/18/386115318.db2.gz MNVXTSMOJAFSLX-UHFFFAOYSA-N 1 0 218.325 3.392 40 0 BGABRO c1ccc2cc(C[NH+]3CCCCC3)ncc2c1 ZINC000044138795 183457651 /nfs/dbraw/zinc/45/76/51/183457651.db2.gz RPNMMVZRSZMYMP-UHFFFAOYSA-N 1 0 226.323 3.221 40 0 BGABRO [NH3+]CCSc1ccc(Cl)cc1Cl ZINC000044249466 181401544 /nfs/dbraw/zinc/40/15/44/181401544.db2.gz WIDRAMZSRSUDHX-UHFFFAOYSA-N 1 0 222.140 3.044 40 0 BGABRO [NH3+]CCc1c(Cl)ccc(Cl)c1Cl ZINC000044250280 384438505 /nfs/dbraw/zinc/43/85/05/384438505.db2.gz RCOKLVNTQNCYKX-UHFFFAOYSA-N 1 0 224.518 3.148 40 0 BGABRO [NH3+]CCCc1ccc2c(c1)Cc1ccccc1-2 ZINC000044279397 386472503 /nfs/dbraw/zinc/47/25/03/386472503.db2.gz BTGHNUBAGRYXHO-UHFFFAOYSA-N 1 0 223.319 3.149 40 0 BGABRO [NH3+]CCCc1ccc(Oc2ccccc2)cc1 ZINC000044279454 188123238 /nfs/dbraw/zinc/12/32/38/188123238.db2.gz JLBPIZMPUOCNRU-UHFFFAOYSA-N 1 0 227.307 3.370 40 0 BGABRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000044370836 187394357 /nfs/dbraw/zinc/39/43/57/187394357.db2.gz DJSMNWNJUBDATC-QMMMGPOBSA-N 1 0 215.749 3.290 40 0 BGABRO [NH3+]CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000044396746 259521243 /nfs/dbraw/zinc/52/12/43/259521243.db2.gz BVPLABDJRCDFCY-UHFFFAOYSA-N 1 0 221.687 3.101 40 0 BGABRO [NH3+]CCc1ccc(-c2cccc(Cl)c2)o1 ZINC000044396793 259521140 /nfs/dbraw/zinc/52/11/40/259521140.db2.gz PGVAUBWPNUEGLO-UHFFFAOYSA-N 1 0 221.687 3.101 40 0 BGABRO [NH3+]CCc1ccc(-c2ccccc2Cl)o1 ZINC000044397532 259323353 /nfs/dbraw/zinc/32/33/53/259323353.db2.gz RVOYFBNYJCYYTG-UHFFFAOYSA-N 1 0 221.687 3.101 40 0 BGABRO [NH3+]Cc1cc(F)ccc1-c1ccc(F)cc1 ZINC000047204256 385308299 /nfs/dbraw/zinc/30/82/99/385308299.db2.gz LLPQHPZWEJAEMU-UHFFFAOYSA-N 1 0 219.234 3.091 40 0 BGABRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccccc1 ZINC000047218959 384446564 /nfs/dbraw/zinc/44/65/64/384446564.db2.gz KWVMYMIPSINHKF-GFCCVEGCSA-N 1 0 249.354 3.069 40 0 BGABRO CC(C)(C)OC(=O)CC[NH2+]C1CCCCCC1 ZINC000047218997 188124773 /nfs/dbraw/zinc/12/47/73/188124773.db2.gz HDXSWFSGJRDVTI-UHFFFAOYSA-N 1 0 241.375 3.031 40 0 BGABRO CCCCCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219052 343559266 /nfs/dbraw/zinc/55/92/66/343559266.db2.gz WHNIYAOFOIUTBV-GFCCVEGCSA-N 1 0 243.391 3.134 40 0 BGABRO CCCCCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219053 343559201 /nfs/dbraw/zinc/55/92/01/343559201.db2.gz WHNIYAOFOIUTBV-LBPRGKRZSA-N 1 0 243.391 3.134 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000047700784 356147478 /nfs/dbraw/zinc/14/74/78/356147478.db2.gz KUNBWLQYGXEWOE-CYBMUJFWSA-N 1 0 207.292 3.373 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000047700786 356147354 /nfs/dbraw/zinc/14/73/54/356147354.db2.gz KUNBWLQYGXEWOE-ZDUSSCGKSA-N 1 0 207.292 3.373 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000047706273 169198752 /nfs/dbraw/zinc/19/87/52/169198752.db2.gz WJZKIJXTKOSBLJ-CQSZACIVSA-N 1 0 219.328 3.242 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000047706275 169199947 /nfs/dbraw/zinc/19/99/47/169199947.db2.gz WJZKIJXTKOSBLJ-AWEZNQCLSA-N 1 0 219.328 3.242 40 0 BGABRO c1ccc2oc([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000049168859 387420816 /nfs/dbraw/zinc/42/08/16/387420816.db2.gz LPEYKHGUNZBILZ-NSHDSACASA-N 1 0 242.322 3.170 40 0 biogenic,in-vitro BGABRO CC(C)C[N@@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000049168876 358063164 /nfs/dbraw/zinc/06/31/64/358063164.db2.gz FTGJPBCVNIVKBC-LBPRGKRZSA-N 1 0 244.338 3.273 40 0 biogenic,in-vitro BGABRO CC(C)[N@@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168968 167027895 /nfs/dbraw/zinc/02/78/95/167027895.db2.gz KFSDNMCOKSQEMN-NSHDSACASA-N 1 0 246.379 3.494 40 0 biogenic,in-vitro BGABRO [NH3+]CC1(c2cc(F)cc(F)c2)CCCCC1 ZINC000049350927 344095716 /nfs/dbraw/zinc/09/57/16/344095716.db2.gz XYNGEKFYDZAJPH-UHFFFAOYSA-N 1 0 225.282 3.125 40 0 BGABRO [NH3+]CCCCCSc1ccc(F)cc1 ZINC000049582408 181374792 /nfs/dbraw/zinc/37/47/92/181374792.db2.gz PVPYWRDLQXZNRI-UHFFFAOYSA-N 1 0 213.321 3.047 40 0 BGABRO CC(C)(C[NH3+])Cc1cccc2ccccc21 ZINC000049804185 187270210 /nfs/dbraw/zinc/27/02/10/187270210.db2.gz SACFSETYJWXTGT-UHFFFAOYSA-N 1 0 213.324 3.367 40 0 BGABRO CC(C)(C[NH3+])Cc1c(F)cccc1Cl ZINC000049804186 187270089 /nfs/dbraw/zinc/27/00/89/187270089.db2.gz MZCWVPSCQGTUAE-UHFFFAOYSA-N 1 0 215.699 3.007 40 0 BGABRO CC(C)c1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000049831476 387441613 /nfs/dbraw/zinc/44/16/13/387441613.db2.gz KGZPBTLORAIGFV-UHFFFAOYSA-N 1 0 243.354 3.022 40 0 BGABRO [NH3+][C@H]1CCCCC[C@H]1Oc1ccccc1Cl ZINC000049959991 259521515 /nfs/dbraw/zinc/52/15/15/259521515.db2.gz RGNWQZBWWMSSQI-WCQYABFASA-N 1 0 239.746 3.379 40 0 BGABRO CC[C@H]([NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000050180978 384601213 /nfs/dbraw/zinc/60/12/13/384601213.db2.gz HDYQBZXUVQWKKP-LBPRGKRZSA-N 1 0 221.344 3.100 40 0 BGABRO CC[C@@H]([NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000050180979 384601474 /nfs/dbraw/zinc/60/14/74/384601474.db2.gz HDYQBZXUVQWKKP-GFCCVEGCSA-N 1 0 221.344 3.100 40 0 BGABRO C[NH2+]C[C@H](OC(C)C)c1ccc(Cl)cc1 ZINC000050483375 173377576 /nfs/dbraw/zinc/37/75/76/173377576.db2.gz DPKXIHNWHVZDLE-LBPRGKRZSA-N 1 0 227.735 3.026 40 0 BGABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(Cl)cc1 ZINC000050483377 173366410 /nfs/dbraw/zinc/36/64/10/173366410.db2.gz DPKXIHNWHVZDLE-GFCCVEGCSA-N 1 0 227.735 3.026 40 0 BGABRO C[NH2+]C[C@H](OC(C)C)c1ccccc1Cl ZINC000050483442 173377127 /nfs/dbraw/zinc/37/71/27/173377127.db2.gz XMZYVKHKSQSRHT-LBPRGKRZSA-N 1 0 227.735 3.026 40 0 BGABRO C[NH2+]C[C@@H](OC(C)C)c1ccccc1Cl ZINC000050483443 173366080 /nfs/dbraw/zinc/36/60/80/173366080.db2.gz XMZYVKHKSQSRHT-GFCCVEGCSA-N 1 0 227.735 3.026 40 0 BGABRO C[NH2+]C[C@H](OC(C)C)c1cccc(Cl)c1 ZINC000050483591 173377584 /nfs/dbraw/zinc/37/75/84/173377584.db2.gz XISLCSKMKDLOTP-LBPRGKRZSA-N 1 0 227.735 3.026 40 0 BGABRO C[NH2+]C[C@@H](OC(C)C)c1cccc(Cl)c1 ZINC000050483592 173366507 /nfs/dbraw/zinc/36/65/07/173366507.db2.gz XISLCSKMKDLOTP-GFCCVEGCSA-N 1 0 227.735 3.026 40 0 BGABRO FC(F)(F)c1cccc([C@@H]2[NH2+]CCS2)c1 ZINC000050522782 343781740 /nfs/dbraw/zinc/78/17/40/343781740.db2.gz YCSCFSFFPPFZRY-SECBINFHSA-N 1 0 233.258 3.040 40 0 BGABRO FC(F)(F)c1cccc([C@H]2[NH2+]CCS2)c1 ZINC000050522784 343782121 /nfs/dbraw/zinc/78/21/21/343782121.db2.gz YCSCFSFFPPFZRY-VIFPVBQESA-N 1 0 233.258 3.040 40 0 BGABRO c1ccc2cc([C@@H]3[NH2+]CCS3)ccc2c1 ZINC000050522798 343782017 /nfs/dbraw/zinc/78/20/17/343782017.db2.gz NQQARYNEJKUXGP-CYBMUJFWSA-N 1 0 215.321 3.175 40 0 BGABRO c1ccc2cc([C@H]3[NH2+]CCS3)ccc2c1 ZINC000050522800 343782087 /nfs/dbraw/zinc/78/20/87/343782087.db2.gz NQQARYNEJKUXGP-ZDUSSCGKSA-N 1 0 215.321 3.175 40 0 BGABRO FC(F)(F)c1ccccc1[C@@H]1[NH2+]CCS1 ZINC000050522825 343782462 /nfs/dbraw/zinc/78/24/62/343782462.db2.gz NWDYTTZOJQDHCO-SECBINFHSA-N 1 0 233.258 3.040 40 0 BGABRO FC(F)(F)c1ccccc1[C@H]1[NH2+]CCS1 ZINC000050522826 343782549 /nfs/dbraw/zinc/78/25/49/343782549.db2.gz NWDYTTZOJQDHCO-VIFPVBQESA-N 1 0 233.258 3.040 40 0 BGABRO Cc1[nH+]c2ccc(Cl)cc2c(N)c1C ZINC000050869607 180090305 /nfs/dbraw/zinc/09/03/05/180090305.db2.gz NQXWQUPTPKIYAU-UHFFFAOYSA-N 1 0 206.676 3.087 40 0 BGABRO Cc1[nH+]c2c(Cl)cccc2c(N)c1C ZINC000050870583 180064679 /nfs/dbraw/zinc/06/46/79/180064679.db2.gz XDAFIQLGCKFBNC-UHFFFAOYSA-N 1 0 206.676 3.087 40 0 BGABRO CCCCCn1c(C)[nH+]c2cc(N)ccc21 ZINC000052852298 384750424 /nfs/dbraw/zinc/75/04/24/384750424.db2.gz NIRGIVXOZFXEIX-UHFFFAOYSA-N 1 0 217.316 3.117 40 0 BGABRO NC(=[NH2+])c1c(Cl)cccc1Oc1ccccc1 ZINC000052906682 526819759 /nfs/dbraw/zinc/81/97/59/526819759.db2.gz SFQGJCKDGVATNC-UHFFFAOYSA-N 1 0 246.697 3.416 40 0 BGABRO C[C@H](C[NH3+])Cc1c(Cl)cccc1Cl ZINC000052946692 384756362 /nfs/dbraw/zinc/75/63/62/384756362.db2.gz TYFNKCITDDHWCE-ZETCQYMHSA-N 1 0 218.127 3.131 40 0 BGABRO C[C@@H](C[NH3+])Cc1c(Cl)cccc1Cl ZINC000052946693 175708943 /nfs/dbraw/zinc/70/89/43/175708943.db2.gz TYFNKCITDDHWCE-SSDOTTSWSA-N 1 0 218.127 3.131 40 0 BGABRO C[C@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000052946700 384755468 /nfs/dbraw/zinc/75/54/68/384755468.db2.gz CAUPSXSXKHAUDG-ZETCQYMHSA-N 1 0 218.127 3.131 40 0 BGABRO C[C@@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000052946701 384757108 /nfs/dbraw/zinc/75/71/08/384757108.db2.gz CAUPSXSXKHAUDG-SSDOTTSWSA-N 1 0 218.127 3.131 40 0 BGABRO C[C@H](C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000052946716 176659076 /nfs/dbraw/zinc/65/90/76/176659076.db2.gz PYTSWGFMXMIFLF-ZETCQYMHSA-N 1 0 218.127 3.131 40 0 BGABRO C[C@@H](C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000052946717 384756005 /nfs/dbraw/zinc/75/60/05/384756005.db2.gz PYTSWGFMXMIFLF-SSDOTTSWSA-N 1 0 218.127 3.131 40 0 BGABRO CCc1ccc(C2([NH3+])CCCCC2)cc1 ZINC000053296745 358545270 /nfs/dbraw/zinc/54/52/70/358545270.db2.gz FIVJJOMNQJFBHJ-UHFFFAOYSA-N 1 0 203.329 3.367 40 0 BGABRO CC(C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000053651602 167111946 /nfs/dbraw/zinc/11/19/46/167111946.db2.gz YZXWJZNHMKYIMD-INIZCTEOSA-N 1 0 246.398 3.039 40 0 BGABRO CC(C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000053651604 167115475 /nfs/dbraw/zinc/11/54/75/167115475.db2.gz YZXWJZNHMKYIMD-MRXNPFEDSA-N 1 0 246.398 3.039 40 0 BGABRO CCCCC[C@H]([NH3+])c1ccccc1OC ZINC000053788139 384807898 /nfs/dbraw/zinc/80/78/98/384807898.db2.gz DGTWLXMYNNXLDL-LBPRGKRZSA-N 1 0 207.317 3.275 40 0 BGABRO CCCCC[C@@H]([NH3+])c1ccccc1OC ZINC000053788140 168740864 /nfs/dbraw/zinc/74/08/64/168740864.db2.gz DGTWLXMYNNXLDL-GFCCVEGCSA-N 1 0 207.317 3.275 40 0 BGABRO CCCCC[C@H]([NH3+])c1cccc(OC)c1 ZINC000053788609 384806707 /nfs/dbraw/zinc/80/67/07/384806707.db2.gz ZUPASUYBPSNLKB-ZDUSSCGKSA-N 1 0 207.317 3.275 40 0 BGABRO CCCCC[C@@H]([NH3+])c1cccc(OC)c1 ZINC000053788610 384807421 /nfs/dbraw/zinc/80/74/21/384807421.db2.gz ZUPASUYBPSNLKB-CYBMUJFWSA-N 1 0 207.317 3.275 40 0 BGABRO COc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000053906496 259372668 /nfs/dbraw/zinc/37/26/68/259372668.db2.gz VAKHMOQETFKAAA-OAHLLOKOSA-N 1 0 233.355 3.488 40 0 BGABRO COc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000053906497 259372610 /nfs/dbraw/zinc/37/26/10/259372610.db2.gz VAKHMOQETFKAAA-HNNXBMFYSA-N 1 0 233.355 3.488 40 0 BGABRO CC[C@@H](C)n1c2ccc(Cl)cc2nc1C[NH3+] ZINC000053944111 384812475 /nfs/dbraw/zinc/81/24/75/384812475.db2.gz VFIBNUILSMGHMR-MRVPVSSYSA-N 1 0 237.734 3.119 40 0 BGABRO CC[C@H](C)n1c2ccc(Cl)cc2nc1C[NH3+] ZINC000053944112 384810506 /nfs/dbraw/zinc/81/05/06/384810506.db2.gz VFIBNUILSMGHMR-QMMMGPOBSA-N 1 0 237.734 3.119 40 0 BGABRO [NH3+]C[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054561842 384840886 /nfs/dbraw/zinc/84/08/86/384840886.db2.gz WGNPNDWGKKHMPM-SFYZADRCSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054561844 181468292 /nfs/dbraw/zinc/46/82/92/181468292.db2.gz WGNPNDWGKKHMPM-HTQZYQBOSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054561845 384842556 /nfs/dbraw/zinc/84/25/56/384842556.db2.gz WGNPNDWGKKHMPM-YUMQZZPRSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054561847 384841897 /nfs/dbraw/zinc/84/18/97/384841897.db2.gz WGNPNDWGKKHMPM-JGVFFNPUSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054586878 384840955 /nfs/dbraw/zinc/84/09/55/384840955.db2.gz QQFQGKPYXWBPBJ-HZGVNTEJSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000054586882 384841771 /nfs/dbraw/zinc/84/17/71/384841771.db2.gz QQFQGKPYXWBPBJ-RCOVLWMOSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054587009 181468536 /nfs/dbraw/zinc/46/85/36/181468536.db2.gz HHVADRRRPYXPEX-XCBNKYQSSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054587011 384841742 /nfs/dbraw/zinc/84/17/42/384841742.db2.gz HHVADRRRPYXPEX-GMSGAONNSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054587013 384843092 /nfs/dbraw/zinc/84/30/92/384843092.db2.gz HHVADRRRPYXPEX-XVKPBYJWSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054587015 181438832 /nfs/dbraw/zinc/43/88/32/181438832.db2.gz HHVADRRRPYXPEX-OIBJUYFYSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054587041 181467782 /nfs/dbraw/zinc/46/77/82/181467782.db2.gz HGQVAQJYSRDGDC-HTRCEHHLSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054587043 181438876 /nfs/dbraw/zinc/43/88/76/181438876.db2.gz HGQVAQJYSRDGDC-POYBYMJQSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054587045 384843872 /nfs/dbraw/zinc/84/38/72/384843872.db2.gz HGQVAQJYSRDGDC-XPUUQOCRSA-N 1 0 216.111 3.056 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054588479 173372015 /nfs/dbraw/zinc/37/20/15/173372015.db2.gz JOFWAILJECEPDU-DTWKUNHWSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054588480 173382848 /nfs/dbraw/zinc/38/28/48/173382848.db2.gz JOFWAILJECEPDU-RKDXNWHRSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054588482 173372759 /nfs/dbraw/zinc/37/27/59/173372759.db2.gz JOFWAILJECEPDU-IUCAKERBSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054588484 173382857 /nfs/dbraw/zinc/38/28/57/173382857.db2.gz JOFWAILJECEPDU-BDAKNGLRSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000054588502 173371874 /nfs/dbraw/zinc/37/18/74/173371874.db2.gz VFRHMXJFOQXQJA-GXSJLCMTSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000054588504 173382915 /nfs/dbraw/zinc/38/29/15/173382915.db2.gz VFRHMXJFOQXQJA-MWLCHTKSSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000054588506 173372558 /nfs/dbraw/zinc/37/25/58/173372558.db2.gz VFRHMXJFOQXQJA-ONGXEEELSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000054588508 173382872 /nfs/dbraw/zinc/38/28/72/173382872.db2.gz VFRHMXJFOQXQJA-KOLCDFICSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000054588663 173371793 /nfs/dbraw/zinc/37/17/93/173371793.db2.gz TYALUERCXSZARZ-GXSJLCMTSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000054588664 173382609 /nfs/dbraw/zinc/38/26/09/173382609.db2.gz TYALUERCXSZARZ-MWLCHTKSSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000054588666 173372662 /nfs/dbraw/zinc/37/26/62/173372662.db2.gz TYALUERCXSZARZ-ONGXEEELSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000054588668 173383466 /nfs/dbraw/zinc/38/34/66/173383466.db2.gz TYALUERCXSZARZ-KOLCDFICSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000054588724 173371390 /nfs/dbraw/zinc/37/13/90/173371390.db2.gz XTROGRUURXOVFW-XVKPBYJWSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000054588726 173382968 /nfs/dbraw/zinc/38/29/68/173382968.db2.gz XTROGRUURXOVFW-XCBNKYQSSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054588728 173372247 /nfs/dbraw/zinc/37/22/47/173372247.db2.gz XTROGRUURXOVFW-OIBJUYFYSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054588729 173382439 /nfs/dbraw/zinc/38/24/39/173382439.db2.gz XTROGRUURXOVFW-GMSGAONNSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054588755 173371505 /nfs/dbraw/zinc/37/15/05/173371505.db2.gz HAEFPEYCRSGFHU-WPRPVWTQSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054588757 173382724 /nfs/dbraw/zinc/38/27/24/173382724.db2.gz HAEFPEYCRSGFHU-SCZZXKLOSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000054588758 173372765 /nfs/dbraw/zinc/37/27/65/173372765.db2.gz HAEFPEYCRSGFHU-WCBMZHEXSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000054588760 173383561 /nfs/dbraw/zinc/38/35/61/173383561.db2.gz HAEFPEYCRSGFHU-PSASIEDQSA-N 1 0 229.245 3.028 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054588770 173382890 /nfs/dbraw/zinc/38/28/90/173382890.db2.gz ZBRXKXVCCLJLRX-KGLIPLIRSA-N 1 0 203.329 3.133 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054588771 173382425 /nfs/dbraw/zinc/38/24/25/173382425.db2.gz ZBRXKXVCCLJLRX-ZIAGYGMSSA-N 1 0 203.329 3.133 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054588773 173372210 /nfs/dbraw/zinc/37/22/10/173372210.db2.gz ZBRXKXVCCLJLRX-KBPBESRZSA-N 1 0 203.329 3.133 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054588775 173371900 /nfs/dbraw/zinc/37/19/00/173371900.db2.gz ZBRXKXVCCLJLRX-UONOGXRCSA-N 1 0 203.329 3.133 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1c(OC)ccc2ccccc21 ZINC000054588849 259373751 /nfs/dbraw/zinc/37/37/51/259373751.db2.gz BASAKAPONIDGLG-JSGCOSHPSA-N 1 0 241.334 3.171 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1c(OC)ccc2ccccc21 ZINC000054588851 259374136 /nfs/dbraw/zinc/37/41/36/259374136.db2.gz BASAKAPONIDGLG-OCCSQVGLSA-N 1 0 241.334 3.171 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1c(OC)ccc2ccccc21 ZINC000054588854 259374173 /nfs/dbraw/zinc/37/41/73/259374173.db2.gz BASAKAPONIDGLG-GXTWGEPZSA-N 1 0 241.334 3.171 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1c(OC)ccc2ccccc21 ZINC000054588856 259373930 /nfs/dbraw/zinc/37/39/30/259373930.db2.gz BASAKAPONIDGLG-TZMCWYRMSA-N 1 0 241.334 3.171 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054588946 173371534 /nfs/dbraw/zinc/37/15/34/173371534.db2.gz JBLWQBCMMYNDFM-GZMMTYOYSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054588948 173382541 /nfs/dbraw/zinc/38/25/41/173382541.db2.gz JBLWQBCMMYNDFM-LDYMZIIASA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054588950 173372590 /nfs/dbraw/zinc/37/25/90/173372590.db2.gz JBLWQBCMMYNDFM-KWQFWETISA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054588951 173382882 /nfs/dbraw/zinc/38/28/82/173382882.db2.gz JBLWQBCMMYNDFM-KCJUWKMLSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054588975 173372027 /nfs/dbraw/zinc/37/20/27/173372027.db2.gz DNWPHAWHJSIIHF-CBAPKCEASA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054588977 173382442 /nfs/dbraw/zinc/38/24/42/173382442.db2.gz DNWPHAWHJSIIHF-APPZFPTMSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054588979 173372715 /nfs/dbraw/zinc/37/27/15/173372715.db2.gz DNWPHAWHJSIIHF-IONNQARKSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054588981 173383559 /nfs/dbraw/zinc/38/35/59/173383559.db2.gz DNWPHAWHJSIIHF-VXNVDRBHSA-N 1 0 230.138 3.316 40 0 BGABRO CC(C)(C[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000054634452 384845878 /nfs/dbraw/zinc/84/58/78/384845878.db2.gz OJMBBLZPFAEXSA-UHFFFAOYSA-N 1 0 231.261 3.233 40 0 BGABRO C[NH2+]CC(C)(C)Cc1ccc(Cl)cc1 ZINC000054637819 411150187 /nfs/dbraw/zinc/15/01/87/411150187.db2.gz MWPIMOBPFUYHFS-UHFFFAOYSA-N 1 0 211.736 3.128 40 0 BGABRO C[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000054637820 411150218 /nfs/dbraw/zinc/15/02/18/411150218.db2.gz HPTSBNJJQJCEFW-UHFFFAOYSA-N 1 0 211.736 3.128 40 0 BGABRO C[NH2+]CC(C)(C)Cc1ccccc1Cl ZINC000054637823 411150232 /nfs/dbraw/zinc/15/02/32/411150232.db2.gz WTADNZYJKLAOQZ-UHFFFAOYSA-N 1 0 211.736 3.128 40 0 BGABRO C[NH2+]CC(C)(C)CCCc1ccccc1 ZINC000054637919 411150160 /nfs/dbraw/zinc/15/01/60/411150160.db2.gz PAORVCBNIYMVKP-UHFFFAOYSA-N 1 0 205.345 3.255 40 0 BGABRO [NH3+]C1CCC(Sc2nc3ccccc3o2)CC1 ZINC000055143747 181342522 /nfs/dbraw/zinc/34/25/22/181342522.db2.gz BDOUPWKTGYMQSM-UHFFFAOYSA-N 1 0 248.351 3.190 40 0 BGABRO CC1(C)C[C@H]([NH3+])c2cc(Br)ccc21 ZINC000057347108 259521270 /nfs/dbraw/zinc/52/12/70/259521270.db2.gz LQAAYVHKGNYMPY-JTQLQIEISA-N 1 0 240.144 3.130 40 0 BGABRO CC1(C)C[C@@H]([NH3+])c2cc(Br)ccc21 ZINC000057347112 259328323 /nfs/dbraw/zinc/32/83/23/259328323.db2.gz LQAAYVHKGNYMPY-SNVBAGLBSA-N 1 0 240.144 3.130 40 0 BGABRO CC(C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000057493557 188127288 /nfs/dbraw/zinc/12/72/88/188127288.db2.gz XRESZHNGHXRXMR-UHFFFAOYSA-N 1 0 205.345 3.383 40 0 BGABRO CCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000057493560 169266472 /nfs/dbraw/zinc/26/64/72/169266472.db2.gz GIWWSJLYXIBLOJ-UHFFFAOYSA-N 1 0 205.345 3.385 40 0 BGABRO CC(C)c1ccc(-c2ncc(CC[NH3+])s2)cc1 ZINC000057535918 387521636 /nfs/dbraw/zinc/52/16/36/387521636.db2.gz BHDFKELLTTWUSY-UHFFFAOYSA-N 1 0 246.379 3.435 40 0 BGABRO Clc1ccc(C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000057953396 180581477 /nfs/dbraw/zinc/58/14/77/180581477.db2.gz REQMTOUZNVFEEY-QMMMGPOBSA-N 1 0 230.138 3.145 40 0 BGABRO Clc1ccc(C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000057953398 180581742 /nfs/dbraw/zinc/58/17/42/180581742.db2.gz REQMTOUZNVFEEY-MRVPVSSYSA-N 1 0 230.138 3.145 40 0 BGABRO CC(C)(C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000057961135 388370626 /nfs/dbraw/zinc/37/06/26/388370626.db2.gz ZAJZUMMUPAPOSM-UHFFFAOYSA-N 1 0 229.270 3.176 40 0 BGABRO Cc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1N ZINC000059233837 132368664 /nfs/dbraw/zinc/36/86/64/132368664.db2.gz ISRPIIBNCHSKHI-PHIMTYICSA-N 1 0 218.344 3.060 40 0 BGABRO Cc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)ccc1N ZINC000059233840 132368555 /nfs/dbraw/zinc/36/85/55/132368555.db2.gz ISRPIIBNCHSKHI-QWRGUYRKSA-N 1 0 218.344 3.060 40 0 BGABRO Cc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)ccc1N ZINC000059233843 132368612 /nfs/dbraw/zinc/36/86/12/132368612.db2.gz ISRPIIBNCHSKHI-GHMZBOCLSA-N 1 0 218.344 3.060 40 0 BGABRO CCN(CC)C(=[NH2+])Nc1ccc(C(C)C)cc1 ZINC000059497690 191134818 /nfs/dbraw/zinc/13/48/18/191134818.db2.gz HQIYQIUFRAMUKB-UHFFFAOYSA-N 1 0 233.359 3.498 40 0 BGABRO [NH3+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000059783684 181324464 /nfs/dbraw/zinc/32/44/64/181324464.db2.gz WAXWXCAVJPDHPU-QPJJXVBHSA-N 1 0 239.318 3.238 40 0 BGABRO FC(F)(F)Oc1cccc(C2CC[NH2+]CC2)c1 ZINC000061703151 385131657 /nfs/dbraw/zinc/13/16/57/385131657.db2.gz GXYMHDWKGWKPOK-UHFFFAOYSA-N 1 0 245.244 3.052 40 0 BGABRO [NH3+]Cc1ccc2c(c1)ncn2C1CCCCC1 ZINC000062214036 386500679 /nfs/dbraw/zinc/50/06/79/386500679.db2.gz RMTJMCAYJGYVOE-UHFFFAOYSA-N 1 0 229.327 3.000 40 0 BGABRO FC(F)Oc1cccc(C[NH2+]C2CCCC2)c1 ZINC000062700661 398046388 /nfs/dbraw/zinc/04/63/88/398046388.db2.gz MXKCGCDESKFTOM-UHFFFAOYSA-N 1 0 241.281 3.320 40 0 BGABRO [NH3+]Cc1cn(C2CCCC2)c2ccccc12 ZINC000062702026 323090987 /nfs/dbraw/zinc/09/09/87/323090987.db2.gz FTOOPZYQXNELGP-UHFFFAOYSA-N 1 0 214.312 3.215 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1cc(Cl)ccc1Cl ZINC000062711568 384857782 /nfs/dbraw/zinc/85/77/82/384857782.db2.gz HZOYTUDZZLMVHY-NSHDSACASA-N 1 0 248.153 3.290 40 0 BGABRO CCO[C@H](C[NH2+]C)c1cc(Cl)ccc1Cl ZINC000062711571 384857714 /nfs/dbraw/zinc/85/77/14/384857714.db2.gz HZOYTUDZZLMVHY-LLVKDONJSA-N 1 0 248.153 3.290 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1cccc2ccccc21 ZINC000062711599 384845099 /nfs/dbraw/zinc/84/50/99/384845099.db2.gz WZQHOWWJBVLFCD-HNNXBMFYSA-N 1 0 229.323 3.137 40 0 BGABRO CCO[C@H](C[NH2+]C)c1cccc2ccccc21 ZINC000062711601 170504561 /nfs/dbraw/zinc/50/45/61/170504561.db2.gz WZQHOWWJBVLFCD-OAHLLOKOSA-N 1 0 229.323 3.137 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000062711603 385688664 /nfs/dbraw/zinc/68/86/64/385688664.db2.gz ZSOHDPMESPTUSG-NSHDSACASA-N 1 0 248.153 3.290 40 0 BGABRO CCO[C@H](C[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000062711605 384845764 /nfs/dbraw/zinc/84/57/64/384845764.db2.gz ZSOHDPMESPTUSG-LLVKDONJSA-N 1 0 248.153 3.290 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1ccc2ccccc2c1 ZINC000062711608 384844756 /nfs/dbraw/zinc/84/47/56/384844756.db2.gz HXBJIXHVTGJUPY-HNNXBMFYSA-N 1 0 229.323 3.137 40 0 BGABRO CCO[C@H](C[NH2+]C)c1ccc2ccccc2c1 ZINC000062711612 384846221 /nfs/dbraw/zinc/84/62/21/384846221.db2.gz HXBJIXHVTGJUPY-OAHLLOKOSA-N 1 0 229.323 3.137 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1ccc(Cl)cc1Cl ZINC000062711614 384846481 /nfs/dbraw/zinc/84/64/81/384846481.db2.gz SXPCHLRCDLTNQW-NSHDSACASA-N 1 0 248.153 3.290 40 0 BGABRO CCO[C@H](C[NH2+]C)c1ccc(Cl)cc1Cl ZINC000062711617 384845315 /nfs/dbraw/zinc/84/53/15/384845315.db2.gz SXPCHLRCDLTNQW-LLVKDONJSA-N 1 0 248.153 3.290 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000062711619 384844535 /nfs/dbraw/zinc/84/45/35/384844535.db2.gz XPKBSJXCZQCZBW-NSHDSACASA-N 1 0 247.260 3.002 40 0 BGABRO CCO[C@H](C[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000062711620 384846587 /nfs/dbraw/zinc/84/65/87/384846587.db2.gz XPKBSJXCZQCZBW-LLVKDONJSA-N 1 0 247.260 3.002 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1ccccc1C(F)(F)F ZINC000062711630 388655212 /nfs/dbraw/zinc/65/52/12/388655212.db2.gz CAFPJEHIVUGHJY-NSHDSACASA-N 1 0 247.260 3.002 40 0 BGABRO CCO[C@H](C[NH2+]C)c1ccccc1C(F)(F)F ZINC000062711633 388655262 /nfs/dbraw/zinc/65/52/62/388655262.db2.gz CAFPJEHIVUGHJY-LLVKDONJSA-N 1 0 247.260 3.002 40 0 BGABRO CCO[C@@H](C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000062711636 388655397 /nfs/dbraw/zinc/65/53/97/388655397.db2.gz KKYDRRJFLFLMEE-NSHDSACASA-N 1 0 247.260 3.002 40 0 BGABRO CCO[C@H](C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000062711639 388654881 /nfs/dbraw/zinc/65/48/81/388654881.db2.gz KKYDRRJFLFLMEE-LLVKDONJSA-N 1 0 247.260 3.002 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000062711788 167281101 /nfs/dbraw/zinc/28/11/01/167281101.db2.gz FMEAAZDGQNBZJV-NSHDSACASA-N 1 0 248.153 3.418 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000062711791 167282931 /nfs/dbraw/zinc/28/29/31/167282931.db2.gz FMEAAZDGQNBZJV-LLVKDONJSA-N 1 0 248.153 3.418 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000062711818 167281136 /nfs/dbraw/zinc/28/11/36/167281136.db2.gz UQWVHVIUVLGFMB-HNNXBMFYSA-N 1 0 229.323 3.265 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1cccc2ccccc21 ZINC000062711822 167282477 /nfs/dbraw/zinc/28/24/77/167282477.db2.gz UQWVHVIUVLGFMB-OAHLLOKOSA-N 1 0 229.323 3.265 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000062711825 167281992 /nfs/dbraw/zinc/28/19/92/167281992.db2.gz OTUSGXAMMAYHLY-NSHDSACASA-N 1 0 248.153 3.418 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000062711828 167283261 /nfs/dbraw/zinc/28/32/61/167283261.db2.gz OTUSGXAMMAYHLY-LLVKDONJSA-N 1 0 248.153 3.418 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000062711831 167280743 /nfs/dbraw/zinc/28/07/43/167280743.db2.gz BZMUBMLALYFRQA-HNNXBMFYSA-N 1 0 229.323 3.265 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000062711836 167283287 /nfs/dbraw/zinc/28/32/87/167283287.db2.gz BZMUBMLALYFRQA-OAHLLOKOSA-N 1 0 229.323 3.265 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000062711839 167280129 /nfs/dbraw/zinc/28/01/29/167280129.db2.gz RPUVVRXFEWMUOA-NSHDSACASA-N 1 0 248.153 3.418 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000062711841 167283223 /nfs/dbraw/zinc/28/32/23/167283223.db2.gz RPUVVRXFEWMUOA-LLVKDONJSA-N 1 0 248.153 3.418 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000062711844 167281163 /nfs/dbraw/zinc/28/11/63/167281163.db2.gz WFSWKYVSAIHUTN-NSHDSACASA-N 1 0 247.260 3.130 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000062711846 167283114 /nfs/dbraw/zinc/28/31/14/167283114.db2.gz WFSWKYVSAIHUTN-LLVKDONJSA-N 1 0 247.260 3.130 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000062711854 167280184 /nfs/dbraw/zinc/28/01/84/167280184.db2.gz DKXJTQYKAXFKKI-NSHDSACASA-N 1 0 247.260 3.130 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000062711857 167282733 /nfs/dbraw/zinc/28/27/33/167282733.db2.gz DKXJTQYKAXFKKI-LLVKDONJSA-N 1 0 247.260 3.130 40 0 BGABRO CC(C)O[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000062711860 167281438 /nfs/dbraw/zinc/28/14/38/167281438.db2.gz GHNIAJPJECWLEL-NSHDSACASA-N 1 0 247.260 3.130 40 0 BGABRO CC(C)O[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000062711863 167283180 /nfs/dbraw/zinc/28/31/80/167283180.db2.gz GHNIAJPJECWLEL-LLVKDONJSA-N 1 0 247.260 3.130 40 0 BGABRO CCO[C@@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000062711898 388655270 /nfs/dbraw/zinc/65/52/70/388655270.db2.gz AVTBMMWOWRJWIG-JTQLQIEISA-N 1 0 234.126 3.030 40 0 BGABRO CCO[C@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000062711902 170504366 /nfs/dbraw/zinc/50/43/66/170504366.db2.gz AVTBMMWOWRJWIG-SNVBAGLBSA-N 1 0 234.126 3.030 40 0 BGABRO CCO[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000062711935 385692020 /nfs/dbraw/zinc/69/20/20/385692020.db2.gz HBUXXDPKGZIVLC-JTQLQIEISA-N 1 0 234.126 3.030 40 0 BGABRO CCO[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000062711938 385690669 /nfs/dbraw/zinc/69/06/69/385690669.db2.gz HBUXXDPKGZIVLC-SNVBAGLBSA-N 1 0 234.126 3.030 40 0 BGABRO CCO[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000062711948 388655009 /nfs/dbraw/zinc/65/50/09/388655009.db2.gz ASQPDZRIKTYFMF-JTQLQIEISA-N 1 0 234.126 3.030 40 0 BGABRO CCO[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000062711951 385690385 /nfs/dbraw/zinc/69/03/85/385690385.db2.gz ASQPDZRIKTYFMF-SNVBAGLBSA-N 1 0 234.126 3.030 40 0 BGABRO CC[NH2+][C@@H]1CCCCCC[C@@H]1OC(C)C ZINC000062711998 170150786 /nfs/dbraw/zinc/15/07/86/170150786.db2.gz UNGOIMQMSKYWJT-OLZOCXBDSA-N 1 0 213.365 3.112 40 0 BGABRO CC[NH2+][C@H]1CCCCCC[C@@H]1OC(C)C ZINC000062712000 170165628 /nfs/dbraw/zinc/16/56/28/170165628.db2.gz UNGOIMQMSKYWJT-STQMWFEESA-N 1 0 213.365 3.112 40 0 BGABRO CC[NH2+][C@@H]1CCCCCC[C@H]1OC(C)C ZINC000062712002 170150443 /nfs/dbraw/zinc/15/04/43/170150443.db2.gz UNGOIMQMSKYWJT-CHWSQXEVSA-N 1 0 213.365 3.112 40 0 BGABRO CC[NH2+][C@H]1CCCCCC[C@H]1OC(C)C ZINC000062712004 170165874 /nfs/dbraw/zinc/16/58/74/170165874.db2.gz UNGOIMQMSKYWJT-QWHCGFSZSA-N 1 0 213.365 3.112 40 0 BGABRO CC(C)CC[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000062718685 388655731 /nfs/dbraw/zinc/65/57/31/388655731.db2.gz BGNCORQEUPBHSL-UHFFFAOYSA-N 1 0 245.370 3.131 40 0 BGABRO Cc1cc(C2CC[NH2+]CC2)c2ccccc2n1 ZINC000064219865 385250704 /nfs/dbraw/zinc/25/07/04/385250704.db2.gz IZZHIJPUVZNBNE-UHFFFAOYSA-N 1 0 226.323 3.010 40 0 BGABRO CC(C)(C)[NH2+]C/C=C(\Cl)C(F)(F)F ZINC000064220203 166629095 /nfs/dbraw/zinc/62/90/95/166629095.db2.gz AWOMKEMOMPLPIC-XQRVVYSFSA-N 1 0 215.646 3.060 40 0 BGABRO COc1cccc(C2=CCCC[C@H]2C[NH+](C)C)c1 ZINC000065739678 175248779 /nfs/dbraw/zinc/24/87/79/175248779.db2.gz NLNQAKPOVVMNEG-AWEZNQCLSA-N 1 0 245.366 3.440 40 0 in-vitro BGABRO COc1cccc(C2=CCCC[C@@H]2C[NH+](C)C)c1 ZINC000065739680 175248912 /nfs/dbraw/zinc/24/89/12/175248912.db2.gz NLNQAKPOVVMNEG-CQSZACIVSA-N 1 0 245.366 3.440 40 0 in-vitro BGABRO Cc1cc(C[NH3+])c(C)n1Cc1ccc(Cl)cc1 ZINC000066322439 177981437 /nfs/dbraw/zinc/98/14/37/177981437.db2.gz GISLBORLZWUXSE-UHFFFAOYSA-N 1 0 248.757 3.265 40 0 BGABRO [NH3+]CCCCCC(=O)c1cccc(Cl)c1 ZINC000067172034 181374392 /nfs/dbraw/zinc/37/43/92/181374392.db2.gz UEDFPXLYPANHOV-UHFFFAOYSA-N 1 0 225.719 3.042 40 0 BGABRO Cc1ccc(C[NH2+]Cc2ccoc2C)s1 ZINC000067217970 384095040 /nfs/dbraw/zinc/09/50/40/384095040.db2.gz PBORUFKBSHYSFO-UHFFFAOYSA-N 1 0 221.325 3.248 40 0 BGABRO CCCC[NH2+]C/C=C/c1ccccc1OC ZINC000067796663 383945890 /nfs/dbraw/zinc/94/58/90/383945890.db2.gz AWCQSUWYBAMWSR-VQHVLOKHSA-N 1 0 219.328 3.098 40 0 BGABRO CC[C@@H](C)[NH2+]C/C=C/c1ccc(OC)cc1 ZINC000067799652 170749354 /nfs/dbraw/zinc/74/93/54/170749354.db2.gz GYGORVROZLQFJM-BTDICHCPSA-N 1 0 219.328 3.097 40 0 BGABRO CC[C@H](C)[NH2+]C/C=C/c1ccc(OC)cc1 ZINC000067799655 171338887 /nfs/dbraw/zinc/33/88/87/171338887.db2.gz GYGORVROZLQFJM-FYJFLYSWSA-N 1 0 219.328 3.097 40 0 BGABRO CC[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000067800447 383945928 /nfs/dbraw/zinc/94/59/28/383945928.db2.gz UNDDFAMIERGAIF-RSKUSDAESA-N 1 0 203.329 3.478 40 0 BGABRO CC[C@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000067800448 171339311 /nfs/dbraw/zinc/33/93/11/171339311.db2.gz UNDDFAMIERGAIF-XSNHNAGMSA-N 1 0 203.329 3.478 40 0 BGABRO COc1ccccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000069084719 259313083 /nfs/dbraw/zinc/31/30/83/259313083.db2.gz NMZONPHGEHFJJW-CQSZACIVSA-N 1 0 233.355 3.488 40 0 BGABRO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000069084722 259313215 /nfs/dbraw/zinc/31/32/15/259313215.db2.gz NMZONPHGEHFJJW-AWEZNQCLSA-N 1 0 233.355 3.488 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069085435 388719270 /nfs/dbraw/zinc/71/92/70/388719270.db2.gz KTYKISCHTNGWGO-CYBMUJFWSA-N 1 0 219.328 3.242 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000069085436 388720048 /nfs/dbraw/zinc/72/00/48/388720048.db2.gz KTYKISCHTNGWGO-ZDUSSCGKSA-N 1 0 219.328 3.242 40 0 BGABRO [NH3+][C@@H](c1c(F)cccc1F)C1CCCC1 ZINC000069759060 384062021 /nfs/dbraw/zinc/06/20/21/384062021.db2.gz PHXBYMUZZAWZLV-GFCCVEGCSA-N 1 0 211.255 3.155 40 0 BGABRO [NH3+][C@H](c1c(F)cccc1F)C1CCCC1 ZINC000069759061 384061670 /nfs/dbraw/zinc/06/16/70/384061670.db2.gz PHXBYMUZZAWZLV-LBPRGKRZSA-N 1 0 211.255 3.155 40 0 BGABRO CC(C)CC[C@H]([NH3+])c1c(F)cccc1F ZINC000069759082 343942799 /nfs/dbraw/zinc/94/27/99/343942799.db2.gz MUFHKKHGFGQIFE-NSHDSACASA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)CC[C@@H]([NH3+])c1c(F)cccc1F ZINC000069759083 384061833 /nfs/dbraw/zinc/06/18/33/384061833.db2.gz MUFHKKHGFGQIFE-LLVKDONJSA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)(C)C[C@H]([NH3+])c1c(F)cccc1F ZINC000069759119 384061945 /nfs/dbraw/zinc/06/19/45/384061945.db2.gz JWIOTUZPUWEPNP-JTQLQIEISA-N 1 0 213.271 3.401 40 0 BGABRO CC(C)(C)C[C@@H]([NH3+])c1c(F)cccc1F ZINC000069759121 384060084 /nfs/dbraw/zinc/06/00/84/384060084.db2.gz JWIOTUZPUWEPNP-SNVBAGLBSA-N 1 0 213.271 3.401 40 0 BGABRO Cc1c(F)cccc1-c1ccc([C@@H]2C[C@@H]2[NH3+])o1 ZINC000070452806 259313078 /nfs/dbraw/zinc/31/30/78/259313078.db2.gz LLCXPBDMZITREQ-PWSUYJOCSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1c(F)cccc1-c1ccc([C@H]2C[C@@H]2[NH3+])o1 ZINC000070452807 259313070 /nfs/dbraw/zinc/31/30/70/259313070.db2.gz LLCXPBDMZITREQ-JQWIXIFHSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1c(F)cccc1-c1ccc([C@@H]2C[C@H]2[NH3+])o1 ZINC000070452808 259313069 /nfs/dbraw/zinc/31/30/69/259313069.db2.gz LLCXPBDMZITREQ-ZYHUDNBSSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1c(F)cccc1-c1ccc([C@H]2C[C@H]2[NH3+])o1 ZINC000070452809 259313145 /nfs/dbraw/zinc/31/31/45/259313145.db2.gz LLCXPBDMZITREQ-CMPLNLGQSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1cc(F)ccc1-c1ccc([C@@H]2C[C@@H]2[NH3+])o1 ZINC000070452826 259312884 /nfs/dbraw/zinc/31/28/84/259312884.db2.gz YGWGPKOYPBMQGJ-NEPJUHHUSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1cc(F)ccc1-c1ccc([C@H]2C[C@@H]2[NH3+])o1 ZINC000070452827 259313116 /nfs/dbraw/zinc/31/31/16/259313116.db2.gz YGWGPKOYPBMQGJ-RYUDHWBXSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1cc(F)ccc1-c1ccc([C@@H]2C[C@H]2[NH3+])o1 ZINC000070452828 259313143 /nfs/dbraw/zinc/31/31/43/259313143.db2.gz YGWGPKOYPBMQGJ-VXGBXAGGSA-N 1 0 231.270 3.209 40 0 BGABRO Cc1cc(F)ccc1-c1ccc([C@H]2C[C@H]2[NH3+])o1 ZINC000070452829 259313108 /nfs/dbraw/zinc/31/31/08/259313108.db2.gz YGWGPKOYPBMQGJ-NWDGAFQWSA-N 1 0 231.270 3.209 40 0 BGABRO C[NH2+]C/C=C/c1ccc(Cl)c(Cl)c1 ZINC000070452879 259313080 /nfs/dbraw/zinc/31/30/80/259313080.db2.gz AZYBCFACQCNCHG-NSCUHMNNSA-N 1 0 216.111 3.226 40 0 BGABRO [NH3+]C[C@H]1C[C@H]1c1cc(Cl)ccc1Cl ZINC000070452896 259313410 /nfs/dbraw/zinc/31/34/10/259313410.db2.gz KGGRTPCLZVVAPD-HTRCEHHLSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl ZINC000070452897 259313435 /nfs/dbraw/zinc/31/34/35/259313435.db2.gz KGGRTPCLZVVAPD-SVRRBLITSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@H]1c1cc(Cl)ccc1Cl ZINC000070452898 259313429 /nfs/dbraw/zinc/31/34/29/259313429.db2.gz KGGRTPCLZVVAPD-POYBYMJQSA-N 1 0 216.111 3.056 40 0 BGABRO [NH3+]C[C@@H]1C[C@@H]1c1cc(Cl)ccc1Cl ZINC000070452899 259313528 /nfs/dbraw/zinc/31/35/28/259313528.db2.gz KGGRTPCLZVVAPD-XPUUQOCRSA-N 1 0 216.111 3.056 40 0 BGABRO C[NH2+]C[C@@H]1C[C@@H]1c1cc(Cl)ccc1Cl ZINC000070452900 259313425 /nfs/dbraw/zinc/31/34/25/259313425.db2.gz AVUHGMULPMRLRZ-CBAPKCEASA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl ZINC000070452901 259313533 /nfs/dbraw/zinc/31/35/33/259313533.db2.gz AVUHGMULPMRLRZ-APPZFPTMSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@@H]1C[C@H]1c1cc(Cl)ccc1Cl ZINC000070452902 259313538 /nfs/dbraw/zinc/31/35/38/259313538.db2.gz AVUHGMULPMRLRZ-IONNQARKSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C[C@H]1C[C@H]1c1cc(Cl)ccc1Cl ZINC000070452903 259313572 /nfs/dbraw/zinc/31/35/72/259313572.db2.gz AVUHGMULPMRLRZ-VXNVDRBHSA-N 1 0 230.138 3.316 40 0 BGABRO C[NH2+]C/C=C/c1cc(Cl)ccc1Cl ZINC000070452906 259313427 /nfs/dbraw/zinc/31/34/27/259313427.db2.gz NWTXRZPVUCOAEJ-NSCUHMNNSA-N 1 0 216.111 3.226 40 0 BGABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2ccc(F)cc2F)o1 ZINC000070452941 259313501 /nfs/dbraw/zinc/31/35/01/259313501.db2.gz FAMDHXAPJHDLOO-KOLCDFICSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2F)o1 ZINC000070452942 259313432 /nfs/dbraw/zinc/31/34/32/259313432.db2.gz FAMDHXAPJHDLOO-ONGXEEELSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2F)o1 ZINC000070452943 259313628 /nfs/dbraw/zinc/31/36/28/259313628.db2.gz FAMDHXAPJHDLOO-MWLCHTKSSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2F)o1 ZINC000070452944 259313481 /nfs/dbraw/zinc/31/34/81/259313481.db2.gz FAMDHXAPJHDLOO-GXSJLCMTSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000070452954 322904792 /nfs/dbraw/zinc/90/47/92/322904792.db2.gz LFXKIVCUJWZMJL-KOLCDFICSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000070452955 384560388 /nfs/dbraw/zinc/56/03/88/384560388.db2.gz LFXKIVCUJWZMJL-ONGXEEELSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000070452956 322904878 /nfs/dbraw/zinc/90/48/78/322904878.db2.gz LFXKIVCUJWZMJL-MWLCHTKSSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000070452957 384560302 /nfs/dbraw/zinc/56/03/02/384560302.db2.gz LFXKIVCUJWZMJL-GXSJLCMTSA-N 1 0 233.698 3.415 40 0 BGABRO C[NH2+]C/C=C/c1ccc(Cl)cc1Cl ZINC000070452962 322904834 /nfs/dbraw/zinc/90/48/34/322904834.db2.gz YFTYEGONBBUBCD-NSCUHMNNSA-N 1 0 216.111 3.226 40 0 BGABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2c(F)cccc2F)o1 ZINC000070453005 259313523 /nfs/dbraw/zinc/31/35/23/259313523.db2.gz NKJIKVYUPHNLDL-XCBNKYQSSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2c(F)cccc2F)o1 ZINC000070453006 259313503 /nfs/dbraw/zinc/31/35/03/259313503.db2.gz NKJIKVYUPHNLDL-XVKPBYJWSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2c(F)cccc2F)o1 ZINC000070453007 259313609 /nfs/dbraw/zinc/31/36/09/259313609.db2.gz NKJIKVYUPHNLDL-GMSGAONNSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2c(F)cccc2F)o1 ZINC000070453008 259313404 /nfs/dbraw/zinc/31/34/04/259313404.db2.gz NKJIKVYUPHNLDL-OIBJUYFYSA-N 1 0 235.233 3.039 40 0 BGABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000070453034 259313570 /nfs/dbraw/zinc/31/35/70/259313570.db2.gz CDHZVHAUPAYOTR-MNOVXSKESA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000070453035 259313422 /nfs/dbraw/zinc/31/34/22/259313422.db2.gz CDHZVHAUPAYOTR-QWRGUYRKSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000070453036 259313497 /nfs/dbraw/zinc/31/34/97/259313497.db2.gz CDHZVHAUPAYOTR-GHMZBOCLSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000070453037 259313510 /nfs/dbraw/zinc/31/35/10/259313510.db2.gz CDHZVHAUPAYOTR-WDEREUQCSA-N 1 0 233.698 3.415 40 0 BGABRO C[NH2+][C@@H](C)/C=C/c1cccc(C(F)(F)F)c1 ZINC000070453047 259313521 /nfs/dbraw/zinc/31/35/21/259313521.db2.gz NDYGUOSTYBXQCG-UCUJLANTSA-N 1 0 229.245 3.327 40 0 BGABRO C[NH2+][C@H](C)/C=C/c1cccc(C(F)(F)F)c1 ZINC000070453048 259313626 /nfs/dbraw/zinc/31/36/26/259313626.db2.gz NDYGUOSTYBXQCG-XCODYQFDSA-N 1 0 229.245 3.327 40 0 BGABRO C[NH2+][C@@H](C)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000070453066 388730521 /nfs/dbraw/zinc/73/05/21/388730521.db2.gz ZVWSJLXKLKTXLM-NWALNABHSA-N 1 0 229.245 3.327 40 0 BGABRO C[NH2+][C@H](C)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000070453067 388730106 /nfs/dbraw/zinc/73/01/06/388730106.db2.gz ZVWSJLXKLKTXLM-CDAZIORVSA-N 1 0 229.245 3.327 40 0 BGABRO C[NH2+][C@@H](C)/C=C/c1ccc(OC(F)(F)F)cc1 ZINC000070453120 322904934 /nfs/dbraw/zinc/90/49/34/322904934.db2.gz QNJDRULQXCRZHD-NWALNABHSA-N 1 0 245.244 3.206 40 0 BGABRO C[NH2+][C@H](C)/C=C/c1ccc(OC(F)(F)F)cc1 ZINC000070453121 384097384 /nfs/dbraw/zinc/09/73/84/384097384.db2.gz QNJDRULQXCRZHD-CDAZIORVSA-N 1 0 245.244 3.206 40 0 BGABRO [NH3+][C@H]1C[C@H]1c1ccc(C(F)(F)F)c(Cl)c1 ZINC000070453154 322904772 /nfs/dbraw/zinc/90/47/72/322904772.db2.gz ATXDMFMDLLKCPB-RCOVLWMOSA-N 1 0 235.636 3.173 40 0 BGABRO [NH3+][C@H]1C[C@@H]1c1ccc(C(F)(F)F)c(Cl)c1 ZINC000070453155 322904938 /nfs/dbraw/zinc/90/49/38/322904938.db2.gz ATXDMFMDLLKCPB-MUWHJKNJSA-N 1 0 235.636 3.173 40 0 BGABRO [NH3+][C@@H]1C[C@H]1c1ccc(C(F)(F)F)c(Cl)c1 ZINC000070453156 410472230 /nfs/dbraw/zinc/47/22/30/410472230.db2.gz ATXDMFMDLLKCPB-IMTBSYHQSA-N 1 0 235.636 3.173 40 0 BGABRO [NH3+][C@@H]1C[C@@H]1c1ccc(C(F)(F)F)c(Cl)c1 ZINC000070453157 322904955 /nfs/dbraw/zinc/90/49/55/322904955.db2.gz ATXDMFMDLLKCPB-HZGVNTEJSA-N 1 0 235.636 3.173 40 0 BGABRO [NH3+]C[C@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453162 410472274 /nfs/dbraw/zinc/47/22/74/410472274.db2.gz FGHCPQOGNIFUHO-SFYZADRCSA-N 1 0 249.663 3.421 40 0 BGABRO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453163 410472181 /nfs/dbraw/zinc/47/21/81/410472181.db2.gz FGHCPQOGNIFUHO-HTQZYQBOSA-N 1 0 249.663 3.421 40 0 BGABRO [NH3+]C[C@@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453164 410472296 /nfs/dbraw/zinc/47/22/96/410472296.db2.gz FGHCPQOGNIFUHO-YUMQZZPRSA-N 1 0 249.663 3.421 40 0 BGABRO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453165 410472419 /nfs/dbraw/zinc/47/24/19/410472419.db2.gz FGHCPQOGNIFUHO-JGVFFNPUSA-N 1 0 249.663 3.421 40 0 BGABRO [NH3+]C/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453172 181324547 /nfs/dbraw/zinc/32/45/47/181324547.db2.gz KIETYQHMCZIOMY-OWOJBTEDSA-N 1 0 235.636 3.331 40 0 BGABRO C[NH2+][C@H](C)/C=C/c1ccc(C(C)C)cc1 ZINC000070453259 322905089 /nfs/dbraw/zinc/90/50/89/322905089.db2.gz SSSKSQLTQSONRE-BTDICHCPSA-N 1 0 203.329 3.431 40 0 BGABRO C[NH2+][C@@H](C)/C=C/c1ccc(C(C)C)cc1 ZINC000070453260 322905052 /nfs/dbraw/zinc/90/50/52/322905052.db2.gz SSSKSQLTQSONRE-FYJFLYSWSA-N 1 0 203.329 3.431 40 0 BGABRO C[NH2+]CCCc1cccc(Cl)c1Cl ZINC000070453279 173350488 /nfs/dbraw/zinc/35/04/88/173350488.db2.gz VDCDETGJEYXSQO-UHFFFAOYSA-N 1 0 218.127 3.145 40 0 BGABRO C[NH2+]C/C=C/c1cccc(Cl)c1Cl ZINC000070453281 259313894 /nfs/dbraw/zinc/31/38/94/259313894.db2.gz RNYSQQMRQNVXMH-HWKANZROSA-N 1 0 216.111 3.226 40 0 BGABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000070453295 259313816 /nfs/dbraw/zinc/31/38/16/259313816.db2.gz HHZFWDXFXZHEQS-MNOVXSKESA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000070453296 259313903 /nfs/dbraw/zinc/31/39/03/259313903.db2.gz HHZFWDXFXZHEQS-QWRGUYRKSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000070453297 259313898 /nfs/dbraw/zinc/31/38/98/259313898.db2.gz HHZFWDXFXZHEQS-GHMZBOCLSA-N 1 0 233.698 3.415 40 0 BGABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000070453298 259313953 /nfs/dbraw/zinc/31/39/53/259313953.db2.gz HHZFWDXFXZHEQS-WDEREUQCSA-N 1 0 233.698 3.415 40 0 BGABRO C[NH2+][C@@H](C)/C=C/c1ccccc1C(F)(F)F ZINC000070453355 384564132 /nfs/dbraw/zinc/56/41/32/384564132.db2.gz ZTRDONFGSADFNY-FLOXNTQESA-N 1 0 229.245 3.327 40 0 BGABRO C[NH2+][C@H](C)/C=C/c1ccccc1C(F)(F)F ZINC000070453356 259522996 /nfs/dbraw/zinc/52/29/96/259522996.db2.gz ZTRDONFGSADFNY-FCZSHJHJSA-N 1 0 229.245 3.327 40 0 BGABRO C[NH2+][C@@H](C)CCc1ccccc1C(F)(F)F ZINC000070453357 259523121 /nfs/dbraw/zinc/52/31/21/259523121.db2.gz HUFCKZVEWDVBOG-VIFPVBQESA-N 1 0 231.261 3.246 40 0 BGABRO C[NH2+][C@H](C)CCc1ccccc1C(F)(F)F ZINC000070453358 384563762 /nfs/dbraw/zinc/56/37/62/384563762.db2.gz HUFCKZVEWDVBOG-SECBINFHSA-N 1 0 231.261 3.246 40 0 BGABRO c1ccc2cc([C@@H]3CSCC[NH2+]3)ccc2c1 ZINC000070587994 384122608 /nfs/dbraw/zinc/12/26/08/384122608.db2.gz LTHMWOCCBWVXBU-AWEZNQCLSA-N 1 0 229.348 3.217 40 0 BGABRO c1ccc2cc([C@H]3CSCC[NH2+]3)ccc2c1 ZINC000070587995 384122525 /nfs/dbraw/zinc/12/25/25/384122525.db2.gz LTHMWOCCBWVXBU-CQSZACIVSA-N 1 0 229.348 3.217 40 0 BGABRO [NH3+]Cc1cc(-c2ccc(F)cc2)cs1 ZINC000070601090 384123715 /nfs/dbraw/zinc/12/37/15/384123715.db2.gz UNDDOJZKKGZVGC-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO CC(C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000070631176 167101534 /nfs/dbraw/zinc/10/15/34/167101534.db2.gz UJDVDORLLUMQRC-UHFFFAOYSA-N 1 0 216.328 3.099 40 0 BGABRO [NH3+]CCCCc1ccc(Cl)cc1Cl ZINC000070651748 181378974 /nfs/dbraw/zinc/37/89/74/181378974.db2.gz MSTSHIHUFNUUMJ-UHFFFAOYSA-N 1 0 218.127 3.275 40 0 BGABRO FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000070710117 384134708 /nfs/dbraw/zinc/13/47/08/384134708.db2.gz PEHNCKYQVJGIEF-GHMZBOCLSA-N 1 0 229.245 3.290 40 0 BGABRO FC(F)(F)[C@@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000070710122 384134644 /nfs/dbraw/zinc/13/46/44/384134644.db2.gz PEHNCKYQVJGIEF-MNOVXSKESA-N 1 0 229.245 3.290 40 0 BGABRO FC(F)(F)[C@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000070710124 384134341 /nfs/dbraw/zinc/13/43/41/384134341.db2.gz PEHNCKYQVJGIEF-WDEREUQCSA-N 1 0 229.245 3.290 40 0 BGABRO FC(F)(F)[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000070710128 384133790 /nfs/dbraw/zinc/13/37/90/384133790.db2.gz PEHNCKYQVJGIEF-QWRGUYRKSA-N 1 0 229.245 3.290 40 0 BGABRO C[C@H]([NH3+])CCc1cc(Cl)ccc1Cl ZINC000070740668 176760271 /nfs/dbraw/zinc/76/02/71/176760271.db2.gz AOGCAQXRDKDHGP-ZETCQYMHSA-N 1 0 218.127 3.273 40 0 BGABRO C[C@@H]([NH3+])CCc1cc(Cl)ccc1Cl ZINC000070740669 384136282 /nfs/dbraw/zinc/13/62/82/384136282.db2.gz AOGCAQXRDKDHGP-SSDOTTSWSA-N 1 0 218.127 3.273 40 0 BGABRO CCC[NH2+]Cc1cc(C)ccc1OC(C)C ZINC000070954953 384484307 /nfs/dbraw/zinc/48/43/07/384484307.db2.gz QBHUYWMJXXNJHE-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO CCOc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000070955207 170539970 /nfs/dbraw/zinc/53/99/70/170539970.db2.gz MWQBOSZWPIAMNP-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO CCOc1ccc(C)cc1C[NH2+]CC(C)C ZINC000070955217 259523026 /nfs/dbraw/zinc/52/30/26/259523026.db2.gz JKJIAKBIMPQTOU-UHFFFAOYSA-N 1 0 221.344 3.139 40 0 BGABRO CC[C@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000071261410 384157068 /nfs/dbraw/zinc/15/70/68/384157068.db2.gz LPQFPLJRYJOIMC-VIFPVBQESA-N 1 0 221.197 3.254 40 0 BGABRO COc1cccc([C@@H]([NH3+])CC(C)(C)C)c1 ZINC000071510664 175289225 /nfs/dbraw/zinc/28/92/25/175289225.db2.gz NAQJTGGGXMLPAC-LBPRGKRZSA-N 1 0 207.317 3.131 40 0 BGABRO COc1cccc([C@H]([NH3+])CC(C)(C)C)c1 ZINC000071510665 175294396 /nfs/dbraw/zinc/29/43/96/175294396.db2.gz NAQJTGGGXMLPAC-GFCCVEGCSA-N 1 0 207.317 3.131 40 0 BGABRO [NH3+]C1(c2ccc3c(c2)CCC3)CCCCC1 ZINC000071519425 181333874 /nfs/dbraw/zinc/33/38/74/181333874.db2.gz BIXHZHVYXKMLSO-UHFFFAOYSA-N 1 0 215.340 3.293 40 0 BGABRO CCCCc1ccc([C@@H](C)OCC[NH3+])cc1 ZINC000071523565 169021694 /nfs/dbraw/zinc/02/16/94/169021694.db2.gz JBROCQRTSOZPAO-GFCCVEGCSA-N 1 0 221.344 3.066 40 0 BGABRO CCCCc1ccc([C@H](C)OCC[NH3+])cc1 ZINC000071523566 169022757 /nfs/dbraw/zinc/02/27/57/169022757.db2.gz JBROCQRTSOZPAO-LBPRGKRZSA-N 1 0 221.344 3.066 40 0 BGABRO Fc1cc(F)cc(CCCC2CC[NH2+]CC2)c1 ZINC000071549439 384171264 /nfs/dbraw/zinc/17/12/64/384171264.db2.gz PKIYGQDPJYPMAG-UHFFFAOYSA-N 1 0 239.309 3.287 40 0 BGABRO [NH3+]C[C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000071792186 387854868 /nfs/dbraw/zinc/85/48/68/387854868.db2.gz MGTQWRSWRLZKOA-QMMMGPOBSA-N 1 0 237.652 3.335 40 0 BGABRO [NH3+]C[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000071792187 181417892 /nfs/dbraw/zinc/41/78/92/181417892.db2.gz MGTQWRSWRLZKOA-MRVPVSSYSA-N 1 0 237.652 3.335 40 0 BGABRO [NH3+]Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000071792264 384180127 /nfs/dbraw/zinc/18/01/27/384180127.db2.gz IFPBPVAFNHXNFN-UHFFFAOYSA-N 1 0 243.150 3.183 40 0 BGABRO CCCC[NH2+]C/C=C/c1ccc(OC)cc1 ZINC000071976835 384192596 /nfs/dbraw/zinc/19/25/96/384192596.db2.gz LWRDYILQCFQSKQ-AATRIKPKSA-N 1 0 219.328 3.098 40 0 BGABRO CCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000071976837 384191994 /nfs/dbraw/zinc/19/19/94/384191994.db2.gz VIOSYLFGHLESPD-ACCUITESSA-N 1 0 203.329 3.480 40 0 BGABRO C/C(=C\c1ccccc1)C[NH2+]CC(C)C ZINC000071976850 384191681 /nfs/dbraw/zinc/19/16/81/384191681.db2.gz RBGCYGQKZDNVGW-UKTHLTGXSA-N 1 0 203.329 3.336 40 0 BGABRO Clc1cccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]2)c1 ZINC000072187683 384198054 /nfs/dbraw/zinc/19/80/54/384198054.db2.gz HXFJBFGRKCOPRN-LBPRGKRZSA-N 1 0 247.729 3.155 40 0 BGABRO Clc1cccc(-c2c[nH]nc2[C@H]2CCC[NH2+]2)c1 ZINC000072187684 384197714 /nfs/dbraw/zinc/19/77/14/384197714.db2.gz HXFJBFGRKCOPRN-GFCCVEGCSA-N 1 0 247.729 3.155 40 0 BGABRO Fc1ccc([C@H]2CCC[NH2+]2)cc1Br ZINC000072202761 388652537 /nfs/dbraw/zinc/65/25/37/388652537.db2.gz NXJKUAVUUUVOOC-SNVBAGLBSA-N 1 0 244.107 3.013 40 0 BGABRO C[NH2+][C@@H]1CCCC[C@@H]1c1c[nH]c2ccccc21 ZINC000072210193 344511831 /nfs/dbraw/zinc/51/18/31/344511831.db2.gz MVMFZQJSPHJFTK-BXUZGUMPSA-N 1 0 228.339 3.414 40 0 BGABRO C[NH2+][C@H]1CCCC[C@@H]1c1c[nH]c2ccccc21 ZINC000072210194 344512199 /nfs/dbraw/zinc/51/21/99/344512199.db2.gz MVMFZQJSPHJFTK-RISCZKNCSA-N 1 0 228.339 3.414 40 0 BGABRO C[NH2+][C@@H]1CCCC[C@H]1c1c[nH]c2ccccc21 ZINC000072210195 344512157 /nfs/dbraw/zinc/51/21/57/344512157.db2.gz MVMFZQJSPHJFTK-SMDDNHRTSA-N 1 0 228.339 3.414 40 0 BGABRO C[NH2+][C@H]1CCCC[C@H]1c1c[nH]c2ccccc21 ZINC000072210196 344511974 /nfs/dbraw/zinc/51/19/74/344511974.db2.gz MVMFZQJSPHJFTK-FZMZJTMJSA-N 1 0 228.339 3.414 40 0 BGABRO C[NH2+][C@H](Cc1c[nH]c2ccccc12)C(C)(C)C ZINC000072210203 344512211 /nfs/dbraw/zinc/51/22/11/344512211.db2.gz JGGZNLKOFBNFBN-CQSZACIVSA-N 1 0 230.355 3.345 40 0 BGABRO C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(C)(C)C ZINC000072210204 344512241 /nfs/dbraw/zinc/51/22/41/344512241.db2.gz JGGZNLKOFBNFBN-AWEZNQCLSA-N 1 0 230.355 3.345 40 0 BGABRO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC1 ZINC000072210221 344512129 /nfs/dbraw/zinc/51/21/29/344512129.db2.gz NPEUQTSLIHCLRM-NSHDSACASA-N 1 0 228.339 3.241 40 0 BGABRO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC1 ZINC000072210222 344512086 /nfs/dbraw/zinc/51/20/86/344512086.db2.gz NPEUQTSLIHCLRM-LLVKDONJSA-N 1 0 228.339 3.241 40 0 BGABRO CC(C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000072210223 344512051 /nfs/dbraw/zinc/51/20/51/344512051.db2.gz PFTXESBIOWDROA-LBPRGKRZSA-N 1 0 230.355 3.487 40 0 BGABRO CC(C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000072210224 344512099 /nfs/dbraw/zinc/51/20/99/344512099.db2.gz PFTXESBIOWDROA-GFCCVEGCSA-N 1 0 230.355 3.487 40 0 BGABRO CCOC(=O)C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000072210296 259316556 /nfs/dbraw/zinc/31/65/56/259316556.db2.gz GKBZFTICPANQIT-AWEZNQCLSA-N 1 0 249.354 3.023 40 0 BGABRO CCOC(=O)C[C@H](c1ccccc1)[NH+](CC)CC ZINC000072210297 259316498 /nfs/dbraw/zinc/31/64/98/259316498.db2.gz GKBZFTICPANQIT-CQSZACIVSA-N 1 0 249.354 3.023 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000072210966 259317525 /nfs/dbraw/zinc/31/75/25/259317525.db2.gz YPMPTNQLRJVZIF-MRXNPFEDSA-N 1 0 238.334 3.419 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000072210967 259317379 /nfs/dbraw/zinc/31/73/79/259317379.db2.gz YPMPTNQLRJVZIF-INIZCTEOSA-N 1 0 238.334 3.419 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000072210980 259523804 /nfs/dbraw/zinc/52/38/04/259523804.db2.gz FXFPJKFBQFGMFD-CYBMUJFWSA-N 1 0 204.317 3.019 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000072210981 385066626 /nfs/dbraw/zinc/06/66/26/385066626.db2.gz FXFPJKFBQFGMFD-ZDUSSCGKSA-N 1 0 204.317 3.019 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072210984 385067752 /nfs/dbraw/zinc/06/77/52/385067752.db2.gz IFKYZKJOFGMHIT-CYBMUJFWSA-N 1 0 204.317 3.019 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072210985 385068016 /nfs/dbraw/zinc/06/80/16/385068016.db2.gz IFKYZKJOFGMHIT-ZDUSSCGKSA-N 1 0 204.317 3.019 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072210986 385068786 /nfs/dbraw/zinc/06/87/86/385068786.db2.gz YNGJBWYASKDXKY-CYBMUJFWSA-N 1 0 204.317 3.017 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072210987 259317551 /nfs/dbraw/zinc/31/75/51/259317551.db2.gz YNGJBWYASKDXKY-ZDUSSCGKSA-N 1 0 204.317 3.017 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072210988 259317440 /nfs/dbraw/zinc/31/74/40/259317440.db2.gz NDMMVRQXQCVGRU-CQSZACIVSA-N 1 0 218.344 3.265 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072210989 259317480 /nfs/dbraw/zinc/31/74/80/259317480.db2.gz NDMMVRQXQCVGRU-AWEZNQCLSA-N 1 0 218.344 3.265 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072210990 259317410 /nfs/dbraw/zinc/31/74/10/259317410.db2.gz QVILVZJRCGDQMJ-CQSZACIVSA-N 1 0 218.344 3.409 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072210991 259317412 /nfs/dbraw/zinc/31/74/12/259317412.db2.gz QVILVZJRCGDQMJ-AWEZNQCLSA-N 1 0 218.344 3.409 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000072211006 344512527 /nfs/dbraw/zinc/51/25/27/344512527.db2.gz NHPYYQJKNGOKKM-CYBMUJFWSA-N 1 0 204.317 3.019 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000072211007 344512514 /nfs/dbraw/zinc/51/25/14/344512514.db2.gz NHPYYQJKNGOKKM-ZDUSSCGKSA-N 1 0 204.317 3.019 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000072211010 385068377 /nfs/dbraw/zinc/06/83/77/385068377.db2.gz RVLHZPSDQOHDCC-CYBMUJFWSA-N 1 0 204.317 3.017 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000072211011 385067301 /nfs/dbraw/zinc/06/73/01/385067301.db2.gz RVLHZPSDQOHDCC-ZDUSSCGKSA-N 1 0 204.317 3.017 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000072211012 259523747 /nfs/dbraw/zinc/52/37/47/259523747.db2.gz UYFNNRQAGKVDSE-CQSZACIVSA-N 1 0 218.344 3.265 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000072211013 259523559 /nfs/dbraw/zinc/52/35/59/259523559.db2.gz UYFNNRQAGKVDSE-AWEZNQCLSA-N 1 0 218.344 3.265 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000072211014 259523539 /nfs/dbraw/zinc/52/35/39/259523539.db2.gz HVUQBENXGADFST-CQSZACIVSA-N 1 0 218.344 3.409 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000072211015 385066432 /nfs/dbraw/zinc/06/64/32/385066432.db2.gz HVUQBENXGADFST-AWEZNQCLSA-N 1 0 218.344 3.409 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000072211021 183399246 /nfs/dbraw/zinc/39/92/46/183399246.db2.gz LMINAFLFACTACA-MRXNPFEDSA-N 1 0 238.334 3.419 40 0 BGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000072211022 183398875 /nfs/dbraw/zinc/39/88/75/183398875.db2.gz LMINAFLFACTACA-INIZCTEOSA-N 1 0 238.334 3.419 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000072211035 385069012 /nfs/dbraw/zinc/06/90/12/385069012.db2.gz WFQVLYYEDBIDDU-CYBMUJFWSA-N 1 0 204.317 3.019 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000072211036 385068129 /nfs/dbraw/zinc/06/81/29/385068129.db2.gz WFQVLYYEDBIDDU-ZDUSSCGKSA-N 1 0 204.317 3.019 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000072211041 259317399 /nfs/dbraw/zinc/31/73/99/259317399.db2.gz VIJSGSZZLPXFOL-CYBMUJFWSA-N 1 0 204.317 3.019 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000072211042 259317256 /nfs/dbraw/zinc/31/72/56/259317256.db2.gz VIJSGSZZLPXFOL-ZDUSSCGKSA-N 1 0 204.317 3.019 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000072211043 259317568 /nfs/dbraw/zinc/31/75/68/259317568.db2.gz AXLAOJJLDINJJI-CYBMUJFWSA-N 1 0 204.317 3.017 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000072211044 259317432 /nfs/dbraw/zinc/31/74/32/259317432.db2.gz AXLAOJJLDINJJI-ZDUSSCGKSA-N 1 0 204.317 3.017 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000072211045 259317701 /nfs/dbraw/zinc/31/77/01/259317701.db2.gz SQFZAGHITVCVCK-CQSZACIVSA-N 1 0 218.344 3.265 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000072211046 259317465 /nfs/dbraw/zinc/31/74/65/259317465.db2.gz SQFZAGHITVCVCK-AWEZNQCLSA-N 1 0 218.344 3.265 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000072211047 259317144 /nfs/dbraw/zinc/31/71/44/259317144.db2.gz CUFBLLIURAFWSY-CQSZACIVSA-N 1 0 218.344 3.409 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000072211048 259317422 /nfs/dbraw/zinc/31/74/22/259317422.db2.gz CUFBLLIURAFWSY-AWEZNQCLSA-N 1 0 218.344 3.409 40 0 BGABRO Cc1cccc([C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000072211081 344512473 /nfs/dbraw/zinc/51/24/73/344512473.db2.gz KJDWOXKBWWDINB-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1cccc([C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000072211082 344512591 /nfs/dbraw/zinc/51/25/91/344512591.db2.gz KJDWOXKBWWDINB-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000072211083 344512413 /nfs/dbraw/zinc/51/24/13/344512413.db2.gz PXIYUZUHFOJASI-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000072211084 344512544 /nfs/dbraw/zinc/51/25/44/344512544.db2.gz PXIYUZUHFOJASI-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccc(C)n1 ZINC000072211095 259317548 /nfs/dbraw/zinc/31/75/48/259317548.db2.gz PAOVSLYNTZQYFF-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccc(C)n1 ZINC000072211096 259317389 /nfs/dbraw/zinc/31/73/89/259317389.db2.gz PAOVSLYNTZQYFF-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1cccc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000072211097 259317591 /nfs/dbraw/zinc/31/75/91/259317591.db2.gz CNQRMLZETRUJQG-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cccc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000072211098 259317197 /nfs/dbraw/zinc/31/71/97/259317197.db2.gz CNQRMLZETRUJQG-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cccnc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072211135 385066920 /nfs/dbraw/zinc/06/69/20/385066920.db2.gz YBRSPJLFCMXAJC-ZDUSSCGKSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1cccnc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072211136 385068249 /nfs/dbraw/zinc/06/82/49/385068249.db2.gz YBRSPJLFCMXAJC-CYBMUJFWSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ncccc1C ZINC000072211137 385068259 /nfs/dbraw/zinc/06/82/59/385068259.db2.gz YNBGDEIGGRTYEI-CYBMUJFWSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ncccc1C ZINC000072211138 385068350 /nfs/dbraw/zinc/06/83/50/385068350.db2.gz YNBGDEIGGRTYEI-ZDUSSCGKSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ncccc1C ZINC000072211149 259524655 /nfs/dbraw/zinc/52/46/55/259524655.db2.gz YSOICHMHFPHFRV-CYBMUJFWSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ncccc1C ZINC000072211150 385066412 /nfs/dbraw/zinc/06/64/12/385066412.db2.gz YSOICHMHFPHFRV-ZDUSSCGKSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1cccnc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072211151 385068826 /nfs/dbraw/zinc/06/88/26/385068826.db2.gz WTRIEXMFKXTZRD-ZDUSSCGKSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cccnc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072211152 385068437 /nfs/dbraw/zinc/06/84/37/385068437.db2.gz WTRIEXMFKXTZRD-CYBMUJFWSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ccnc([C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000072211189 385067167 /nfs/dbraw/zinc/06/71/67/385067167.db2.gz KECWLRPLFKGLIJ-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1ccnc([C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000072211190 385068545 /nfs/dbraw/zinc/06/85/45/385068545.db2.gz KECWLRPLFKGLIJ-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cc(C)ccn1 ZINC000072211191 259317542 /nfs/dbraw/zinc/31/75/42/259317542.db2.gz NJRIIEGWIUUTHC-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cc(C)ccn1 ZINC000072211192 259317438 /nfs/dbraw/zinc/31/74/38/259317438.db2.gz NJRIIEGWIUUTHC-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cc(C)ccn1 ZINC000072211203 259524277 /nfs/dbraw/zinc/52/42/77/259524277.db2.gz NIRNNBDSUPGJBI-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cc(C)ccn1 ZINC000072211204 385067896 /nfs/dbraw/zinc/06/78/96/385067896.db2.gz NIRNNBDSUPGJBI-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1ccnc([C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000072211205 259524321 /nfs/dbraw/zinc/52/43/21/259524321.db2.gz VPPOHXLVAWPBOR-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ccnc([C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000072211206 385066789 /nfs/dbraw/zinc/06/67/89/385066789.db2.gz VPPOHXLVAWPBOR-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072211242 385068314 /nfs/dbraw/zinc/06/83/14/385068314.db2.gz QOQAGMBOJSAXLN-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072211243 385066353 /nfs/dbraw/zinc/06/63/53/385066353.db2.gz QOQAGMBOJSAXLN-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC000072211244 259317687 /nfs/dbraw/zinc/31/76/87/259317687.db2.gz INNLDASYMFYENM-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC000072211245 259317623 /nfs/dbraw/zinc/31/76/23/259317623.db2.gz INNLDASYMFYENM-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)nc1 ZINC000072211254 385068920 /nfs/dbraw/zinc/06/89/20/385068920.db2.gz BBJCRHMODTWXQH-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(C)nc1 ZINC000072211255 385068583 /nfs/dbraw/zinc/06/85/83/385068583.db2.gz BBJCRHMODTWXQH-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072211256 259524649 /nfs/dbraw/zinc/52/46/49/259524649.db2.gz MGTWSSUXSXPEDI-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072211257 385066739 /nfs/dbraw/zinc/06/67/39/385066739.db2.gz MGTWSSUXSXPEDI-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072211294 385070999 /nfs/dbraw/zinc/07/09/99/385070999.db2.gz ZIBINNKLLRBXJV-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072211295 385071486 /nfs/dbraw/zinc/07/14/86/385071486.db2.gz ZIBINNKLLRBXJV-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1C ZINC000072211296 385070922 /nfs/dbraw/zinc/07/09/22/385070922.db2.gz ITRBVWPLHVQXJB-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1C ZINC000072211297 385072749 /nfs/dbraw/zinc/07/27/49/385072749.db2.gz ITRBVWPLHVQXJB-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1C ZINC000072211306 385072810 /nfs/dbraw/zinc/07/28/10/385072810.db2.gz FIAZDHYIYZZTGC-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1C ZINC000072211307 385070611 /nfs/dbraw/zinc/07/06/11/385070611.db2.gz FIAZDHYIYZZTGC-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072211308 385072532 /nfs/dbraw/zinc/07/25/32/385072532.db2.gz PJNHTHILBILDED-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072211309 385072628 /nfs/dbraw/zinc/07/26/28/385072628.db2.gz PJNHTHILBILDED-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cncc([C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000072211346 385071371 /nfs/dbraw/zinc/07/13/71/385071371.db2.gz ZHRBBKYNEOOOEH-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1cncc([C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000072211347 385071656 /nfs/dbraw/zinc/07/16/56/385071656.db2.gz ZHRBBKYNEOOOEH-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000072211348 385071980 /nfs/dbraw/zinc/07/19/80/385071980.db2.gz XWCPFPCRQRMWEU-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000072211349 385071743 /nfs/dbraw/zinc/07/17/43/385071743.db2.gz XWCPFPCRQRMWEU-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cncc(C)c1 ZINC000072211358 385071364 /nfs/dbraw/zinc/07/13/64/385071364.db2.gz DPARHEIZKXTICP-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cncc(C)c1 ZINC000072211359 385070827 /nfs/dbraw/zinc/07/08/27/385070827.db2.gz DPARHEIZKXTICP-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1cncc([C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000072211360 385071060 /nfs/dbraw/zinc/07/10/60/385071060.db2.gz DJWNGQHWUSSOAZ-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cncc([C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000072211361 385070148 /nfs/dbraw/zinc/07/01/48/385070148.db2.gz DJWNGQHWUSSOAZ-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ccncc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072211401 385073188 /nfs/dbraw/zinc/07/31/88/385073188.db2.gz FOCHDXMZWNIACK-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1ccncc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072211402 385071386 /nfs/dbraw/zinc/07/13/86/385071386.db2.gz FOCHDXMZWNIACK-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnccc1C ZINC000072211403 385071222 /nfs/dbraw/zinc/07/12/22/385071222.db2.gz DQIPILYOJSZJKR-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cnccc1C ZINC000072211404 259317301 /nfs/dbraw/zinc/31/73/01/259317301.db2.gz DQIPILYOJSZJKR-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnccc1C ZINC000072211413 385072098 /nfs/dbraw/zinc/07/20/98/385072098.db2.gz IIVKDYPRGZGZAY-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cnccc1C ZINC000072211414 385071761 /nfs/dbraw/zinc/07/17/61/385071761.db2.gz IIVKDYPRGZGZAY-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1ccncc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072211415 259524824 /nfs/dbraw/zinc/52/48/24/259524824.db2.gz BNXPSHUWBNUMIG-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1ccncc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072211416 385071285 /nfs/dbraw/zinc/07/12/85/385071285.db2.gz BNXPSHUWBNUMIG-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211450 259524292 /nfs/dbraw/zinc/52/42/92/259524292.db2.gz KWURMOCPCMNPOZ-LLVKDONJSA-N 1 0 224.735 3.280 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)nc1 ZINC000072211670 259317435 /nfs/dbraw/zinc/31/74/35/259317435.db2.gz ZWSLGFPFWKSDTJ-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)nc1 ZINC000072211671 259317485 /nfs/dbraw/zinc/31/74/85/259317485.db2.gz ZWSLGFPFWKSDTJ-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(OC)nc1 ZINC000072211681 385070652 /nfs/dbraw/zinc/07/06/52/385070652.db2.gz MDWAIAVOJFHWBN-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(OC)nc1 ZINC000072211682 385070871 /nfs/dbraw/zinc/07/08/71/385070871.db2.gz MDWAIAVOJFHWBN-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO COc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072211683 385073204 /nfs/dbraw/zinc/07/32/04/385073204.db2.gz WAIASOPOWUHFON-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO COc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072211684 259524280 /nfs/dbraw/zinc/52/42/80/259524280.db2.gz WAIASOPOWUHFON-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO COc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072211685 385071737 /nfs/dbraw/zinc/07/17/37/385071737.db2.gz WHTCGOPIOQWPBL-CQSZACIVSA-N 1 0 248.370 3.273 40 0 BGABRO COc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072211686 385071862 /nfs/dbraw/zinc/07/18/62/385071862.db2.gz WHTCGOPIOQWPBL-AWEZNQCLSA-N 1 0 248.370 3.273 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(OC)nc1 ZINC000072211687 385070281 /nfs/dbraw/zinc/07/02/81/385070281.db2.gz REBOEINORYKAIF-CQSZACIVSA-N 1 0 248.370 3.417 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(OC)nc1 ZINC000072211688 259317515 /nfs/dbraw/zinc/31/75/15/259317515.db2.gz REBOEINORYKAIF-AWEZNQCLSA-N 1 0 248.370 3.417 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1OC ZINC000072211726 259317386 /nfs/dbraw/zinc/31/73/86/259317386.db2.gz AMKVEKOALYFTNH-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1OC ZINC000072211727 259317503 /nfs/dbraw/zinc/31/75/03/259317503.db2.gz AMKVEKOALYFTNH-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1OC ZINC000072211737 385072261 /nfs/dbraw/zinc/07/22/61/385072261.db2.gz ZLZFRUNIMSLIAO-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1OC ZINC000072211738 385071593 /nfs/dbraw/zinc/07/15/93/385071593.db2.gz ZLZFRUNIMSLIAO-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO COc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072211739 385071035 /nfs/dbraw/zinc/07/10/35/385071035.db2.gz PLTVTSKNXRPFGI-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO COc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072211740 385071167 /nfs/dbraw/zinc/07/11/67/385071167.db2.gz PLTVTSKNXRPFGI-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO COc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072211741 385071081 /nfs/dbraw/zinc/07/10/81/385071081.db2.gz KHOWYGYYWDKQTA-CQSZACIVSA-N 1 0 248.370 3.273 40 0 BGABRO COc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072211742 385071254 /nfs/dbraw/zinc/07/12/54/385071254.db2.gz KHOWYGYYWDKQTA-AWEZNQCLSA-N 1 0 248.370 3.273 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1OC ZINC000072211743 259317512 /nfs/dbraw/zinc/31/75/12/259317512.db2.gz PUMNOSCQLIBOEO-CQSZACIVSA-N 1 0 248.370 3.417 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1OC ZINC000072211744 259317222 /nfs/dbraw/zinc/31/72/22/259317222.db2.gz PUMNOSCQLIBOEO-AWEZNQCLSA-N 1 0 248.370 3.417 40 0 BGABRO CCOc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072211778 385070392 /nfs/dbraw/zinc/07/03/92/385070392.db2.gz WHYWRDJLFGCKQQ-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO CCOc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072211779 385071916 /nfs/dbraw/zinc/07/19/16/385071916.db2.gz WHYWRDJLFGCKQQ-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)nc1 ZINC000072211780 385072910 /nfs/dbraw/zinc/07/29/10/385072910.db2.gz OTHALVABBXXBHJ-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(OCC)nc1 ZINC000072211781 385072643 /nfs/dbraw/zinc/07/26/43/385072643.db2.gz OTHALVABBXXBHJ-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072211782 385072037 /nfs/dbraw/zinc/07/20/37/385072037.db2.gz BHGMSJPNHVFLEX-AWEZNQCLSA-N 1 0 248.370 3.273 40 0 BGABRO CCOc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072211783 385072966 /nfs/dbraw/zinc/07/29/66/385072966.db2.gz BHGMSJPNHVFLEX-CQSZACIVSA-N 1 0 248.370 3.273 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)nc1 ZINC000072211784 259317492 /nfs/dbraw/zinc/31/74/92/259317492.db2.gz VKMBECGIAIAJTP-CQSZACIVSA-N 1 0 248.370 3.417 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(OCC)nc1 ZINC000072211785 259317658 /nfs/dbraw/zinc/31/76/58/259317658.db2.gz VKMBECGIAIAJTP-AWEZNQCLSA-N 1 0 248.370 3.417 40 0 BGABRO CCOc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072211795 385071731 /nfs/dbraw/zinc/07/17/31/385071731.db2.gz JCMVBFKCVHMNNG-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCOc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072211796 385070792 /nfs/dbraw/zinc/07/07/92/385070792.db2.gz JCMVBFKCVHMNNG-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(OCC)nc1 ZINC000072211797 385072217 /nfs/dbraw/zinc/07/22/17/385072217.db2.gz UJJWEDOKEYKVDX-CQSZACIVSA-N 1 0 248.370 3.417 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(OCC)nc1 ZINC000072211798 385072761 /nfs/dbraw/zinc/07/27/61/385072761.db2.gz UJJWEDOKEYKVDX-AWEZNQCLSA-N 1 0 248.370 3.417 40 0 BGABRO CCOc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072211799 385070189 /nfs/dbraw/zinc/07/01/89/385070189.db2.gz DZCBBMOGEXJWSH-AWEZNQCLSA-N 1 0 248.370 3.416 40 0 BGABRO CCOc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072211800 385070561 /nfs/dbraw/zinc/07/05/61/385070561.db2.gz DZCBBMOGEXJWSH-CQSZACIVSA-N 1 0 248.370 3.416 40 0 BGABRO CCOc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072211838 385075449 /nfs/dbraw/zinc/07/54/49/385075449.db2.gz ATXZRWHLSADCCU-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO CCOc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072211839 385074658 /nfs/dbraw/zinc/07/46/58/385074658.db2.gz ATXZRWHLSADCCU-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1OCC ZINC000072211840 385074218 /nfs/dbraw/zinc/07/42/18/385074218.db2.gz ZVBXWIFBMIXLBQ-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1OCC ZINC000072211841 385075314 /nfs/dbraw/zinc/07/53/14/385075314.db2.gz ZVBXWIFBMIXLBQ-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO CCOc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072211842 385075794 /nfs/dbraw/zinc/07/57/94/385075794.db2.gz YBPFZBNMXBWQMS-AWEZNQCLSA-N 1 0 248.370 3.273 40 0 BGABRO CCOc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072211843 385074956 /nfs/dbraw/zinc/07/49/56/385074956.db2.gz YBPFZBNMXBWQMS-CQSZACIVSA-N 1 0 248.370 3.273 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1OCC ZINC000072211844 385074805 /nfs/dbraw/zinc/07/48/05/385074805.db2.gz FYTZBIWQOOVJFO-CQSZACIVSA-N 1 0 248.370 3.417 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1OCC ZINC000072211845 385075922 /nfs/dbraw/zinc/07/59/22/385075922.db2.gz FYTZBIWQOOVJFO-AWEZNQCLSA-N 1 0 248.370 3.417 40 0 BGABRO CCOc1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072211855 385075382 /nfs/dbraw/zinc/07/53/82/385075382.db2.gz GANIGELOUOZHMH-CYBMUJFWSA-N 1 0 234.343 3.027 40 0 BGABRO CCOc1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072211856 385075076 /nfs/dbraw/zinc/07/50/76/385075076.db2.gz GANIGELOUOZHMH-ZDUSSCGKSA-N 1 0 234.343 3.027 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1OCC ZINC000072211857 385074160 /nfs/dbraw/zinc/07/41/60/385074160.db2.gz DAOAYJUMDOLAHK-CQSZACIVSA-N 1 0 248.370 3.417 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1OCC ZINC000072211858 385076758 /nfs/dbraw/zinc/07/67/58/385076758.db2.gz DAOAYJUMDOLAHK-AWEZNQCLSA-N 1 0 248.370 3.417 40 0 BGABRO CCOc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072211859 385075585 /nfs/dbraw/zinc/07/55/85/385075585.db2.gz DTBNTLFSAHYJSR-AWEZNQCLSA-N 1 0 248.370 3.416 40 0 BGABRO CCOc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072211860 385076891 /nfs/dbraw/zinc/07/68/91/385076891.db2.gz DTBNTLFSAHYJSR-CQSZACIVSA-N 1 0 248.370 3.416 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211890 385075710 /nfs/dbraw/zinc/07/57/10/385075710.db2.gz PTROXQJBKFBMLY-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211891 385076427 /nfs/dbraw/zinc/07/64/27/385076427.db2.gz PTROXQJBKFBMLY-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO CC(C)Oc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072211898 385075969 /nfs/dbraw/zinc/07/59/69/385075969.db2.gz XUGVIXZOJKNRBK-CQSZACIVSA-N 1 0 248.370 3.414 40 0 BGABRO CC(C)Oc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072211899 385075101 /nfs/dbraw/zinc/07/51/01/385075101.db2.gz XUGVIXZOJKNRBK-AWEZNQCLSA-N 1 0 248.370 3.414 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211900 385077004 /nfs/dbraw/zinc/07/70/04/385077004.db2.gz PRMBZZNIOLREBP-CQSZACIVSA-N 1 0 248.370 3.416 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211901 385074786 /nfs/dbraw/zinc/07/47/86/385074786.db2.gz PRMBZZNIOLREBP-AWEZNQCLSA-N 1 0 248.370 3.416 40 0 BGABRO CC(C)Oc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072211913 385075898 /nfs/dbraw/zinc/07/58/98/385075898.db2.gz JMXQRIYTDXTWSX-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO CC(C)Oc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072211914 385075518 /nfs/dbraw/zinc/07/55/18/385075518.db2.gz JMXQRIYTDXTWSX-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211915 385074764 /nfs/dbraw/zinc/07/47/64/385074764.db2.gz URXRLJFBKHCYPM-CQSZACIVSA-N 1 0 248.370 3.416 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211916 385074187 /nfs/dbraw/zinc/07/41/87/385074187.db2.gz URXRLJFBKHCYPM-AWEZNQCLSA-N 1 0 248.370 3.416 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211950 385076294 /nfs/dbraw/zinc/07/62/94/385076294.db2.gz YOEWKXPZNLENPT-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1cccnc1OC(C)C ZINC000072211951 385076689 /nfs/dbraw/zinc/07/66/89/385076689.db2.gz YOEWKXPZNLENPT-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO CC(C)Oc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072211958 385075843 /nfs/dbraw/zinc/07/58/43/385075843.db2.gz KCTPICDJPMPNKH-CQSZACIVSA-N 1 0 248.370 3.414 40 0 BGABRO CC(C)Oc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072211959 385074990 /nfs/dbraw/zinc/07/49/90/385074990.db2.gz KCTPICDJPMPNKH-AWEZNQCLSA-N 1 0 248.370 3.414 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211960 385075644 /nfs/dbraw/zinc/07/56/44/385075644.db2.gz NWAPDYATCKDLPM-CQSZACIVSA-N 1 0 248.370 3.416 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1OC(C)C ZINC000072211961 385076730 /nfs/dbraw/zinc/07/67/30/385076730.db2.gz NWAPDYATCKDLPM-AWEZNQCLSA-N 1 0 248.370 3.416 40 0 BGABRO CC(C)Oc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072211973 385076322 /nfs/dbraw/zinc/07/63/22/385076322.db2.gz OKAAYIFQTCIRLR-ZDUSSCGKSA-N 1 0 234.343 3.026 40 0 BGABRO CC(C)Oc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072211974 385075422 /nfs/dbraw/zinc/07/54/22/385075422.db2.gz OKAAYIFQTCIRLR-CYBMUJFWSA-N 1 0 234.343 3.026 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1OC(C)C ZINC000072211975 385075755 /nfs/dbraw/zinc/07/57/55/385075755.db2.gz USFKWXKXYFZPMY-CQSZACIVSA-N 1 0 248.370 3.416 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1OC(C)C ZINC000072211976 385075997 /nfs/dbraw/zinc/07/59/97/385075997.db2.gz USFKWXKXYFZPMY-AWEZNQCLSA-N 1 0 248.370 3.416 40 0 BGABRO c1ccc(Oc2ccc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072212121 385075295 /nfs/dbraw/zinc/07/52/95/385075295.db2.gz OSBKHSYBGBLTMT-AWEZNQCLSA-N 1 0 240.306 3.298 40 0 BGABRO c1ccc(Oc2ccc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072212122 385076398 /nfs/dbraw/zinc/07/63/98/385076398.db2.gz OSBKHSYBGBLTMT-CQSZACIVSA-N 1 0 240.306 3.298 40 0 BGABRO c1ccc(Oc2ncccc2[C@@H]2CCC[NH2+]2)cc1 ZINC000072212181 385074650 /nfs/dbraw/zinc/07/46/50/385074650.db2.gz FSGXPEWPDDMLQA-AWEZNQCLSA-N 1 0 240.306 3.298 40 0 BGABRO c1ccc(Oc2ncccc2[C@H]2CCC[NH2+]2)cc1 ZINC000072212182 385076351 /nfs/dbraw/zinc/07/63/51/385076351.db2.gz FSGXPEWPDDMLQA-CQSZACIVSA-N 1 0 240.306 3.298 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212272 385075742 /nfs/dbraw/zinc/07/57/42/385075742.db2.gz QUBBJSRSGFJEJY-CYBMUJFWSA-N 1 0 234.343 3.114 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212273 385075207 /nfs/dbraw/zinc/07/52/07/385075207.db2.gz QUBBJSRSGFJEJY-ZDUSSCGKSA-N 1 0 234.343 3.114 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc[nH]c1=O ZINC000072212330 259317620 /nfs/dbraw/zinc/31/76/20/259317620.db2.gz LLKWIAWHGDQSFK-CYBMUJFWSA-N 1 0 234.343 3.114 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc[nH]c1=O ZINC000072212331 259317324 /nfs/dbraw/zinc/31/73/24/259317324.db2.gz LLKWIAWHGDQSFK-ZDUSSCGKSA-N 1 0 234.343 3.114 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NC)nc1 ZINC000072212481 259317316 /nfs/dbraw/zinc/31/73/16/259317316.db2.gz XOFZMVNSLQZKTI-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NC)nc1 ZINC000072212482 259317638 /nfs/dbraw/zinc/31/76/38/259317638.db2.gz XOFZMVNSLQZKTI-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC)nc1 ZINC000072212494 385076932 /nfs/dbraw/zinc/07/69/32/385076932.db2.gz CPZXIOCRKMSTON-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NC)nc1 ZINC000072212495 385076463 /nfs/dbraw/zinc/07/64/63/385076463.db2.gz CPZXIOCRKMSTON-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072212496 385076180 /nfs/dbraw/zinc/07/61/80/385076180.db2.gz INHWBGDPNLBZLY-CYBMUJFWSA-N 1 0 233.359 3.059 40 0 BGABRO CNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072212497 385075370 /nfs/dbraw/zinc/07/53/70/385075370.db2.gz INHWBGDPNLBZLY-ZDUSSCGKSA-N 1 0 233.359 3.059 40 0 BGABRO CNc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072212498 259317403 /nfs/dbraw/zinc/31/74/03/259317403.db2.gz IQPARUCCTWRXQM-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CNc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072212499 259317528 /nfs/dbraw/zinc/31/75/28/259317528.db2.gz IQPARUCCTWRXQM-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NC)nc1 ZINC000072212500 259317177 /nfs/dbraw/zinc/31/71/77/259317177.db2.gz KAUCHKSUZPLNCA-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(NC)nc1 ZINC000072212501 259317575 /nfs/dbraw/zinc/31/75/75/259317575.db2.gz KAUCHKSUZPLNCA-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NC ZINC000072212541 385075571 /nfs/dbraw/zinc/07/55/71/385075571.db2.gz ANDDTWHJIIZZQO-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1NC ZINC000072212542 385074482 /nfs/dbraw/zinc/07/44/82/385074482.db2.gz ANDDTWHJIIZZQO-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC ZINC000072212554 259317460 /nfs/dbraw/zinc/31/74/60/259317460.db2.gz WMGATOMKLUAYEA-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1NC ZINC000072212555 259317664 /nfs/dbraw/zinc/31/76/64/259317664.db2.gz WMGATOMKLUAYEA-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CNc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072212556 259317469 /nfs/dbraw/zinc/31/74/69/259317469.db2.gz LECFWPKKQFWIGP-CYBMUJFWSA-N 1 0 233.359 3.059 40 0 BGABRO CNc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072212557 259317279 /nfs/dbraw/zinc/31/72/79/259317279.db2.gz LECFWPKKQFWIGP-ZDUSSCGKSA-N 1 0 233.359 3.059 40 0 BGABRO CNc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072212558 259317519 /nfs/dbraw/zinc/31/75/19/259317519.db2.gz IDTBACANZYCIOE-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CNc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072212559 259317632 /nfs/dbraw/zinc/31/76/32/259317632.db2.gz IDTBACANZYCIOE-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC ZINC000072212560 259317250 /nfs/dbraw/zinc/31/72/50/259317250.db2.gz WUVAVPGQPVOHBL-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NC ZINC000072212561 259317187 /nfs/dbraw/zinc/31/71/87/259317187.db2.gz WUVAVPGQPVOHBL-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212601 385079815 /nfs/dbraw/zinc/07/98/15/385079815.db2.gz BRQGXSXBSOLBMS-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212602 259526333 /nfs/dbraw/zinc/52/63/33/259526333.db2.gz BRQGXSXBSOLBMS-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212614 385080819 /nfs/dbraw/zinc/08/08/19/385080819.db2.gz SYFYLXUGOCRYHK-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212615 385080493 /nfs/dbraw/zinc/08/04/93/385080493.db2.gz SYFYLXUGOCRYHK-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212616 385079849 /nfs/dbraw/zinc/07/98/49/385079849.db2.gz CICWQFLAEVDAOE-CQSZACIVSA-N 1 0 247.386 3.083 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212617 385079393 /nfs/dbraw/zinc/07/93/93/385079393.db2.gz CICWQFLAEVDAOE-AWEZNQCLSA-N 1 0 247.386 3.083 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212661 259317454 /nfs/dbraw/zinc/31/74/54/259317454.db2.gz GLRBTMZKPDTHQX-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)C ZINC000072212662 259317646 /nfs/dbraw/zinc/31/76/46/259317646.db2.gz GLRBTMZKPDTHQX-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212674 385079502 /nfs/dbraw/zinc/07/95/02/385079502.db2.gz YKKRLWDWQXPSCW-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212675 385079786 /nfs/dbraw/zinc/07/97/86/385079786.db2.gz YKKRLWDWQXPSCW-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212676 385080158 /nfs/dbraw/zinc/08/01/58/385080158.db2.gz ZLEZJCZBPONNHG-CQSZACIVSA-N 1 0 247.386 3.083 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212677 385080610 /nfs/dbraw/zinc/08/06/10/385080610.db2.gz ZLEZJCZBPONNHG-AWEZNQCLSA-N 1 0 247.386 3.083 40 0 BGABRO CCN(C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072212715 385081016 /nfs/dbraw/zinc/08/10/16/385081016.db2.gz ANJKUNHZVYJBRM-AWEZNQCLSA-N 1 0 247.386 3.083 40 0 BGABRO CCN(C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072212716 385078505 /nfs/dbraw/zinc/07/85/05/385078505.db2.gz ANJKUNHZVYJBRM-CQSZACIVSA-N 1 0 247.386 3.083 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212717 385080106 /nfs/dbraw/zinc/08/01/06/385080106.db2.gz WUJKGNUPLRKZFY-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212718 259526276 /nfs/dbraw/zinc/52/62/76/259526276.db2.gz WUJKGNUPLRKZFY-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(C)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072212732 385080753 /nfs/dbraw/zinc/08/07/53/385080753.db2.gz QBACLFTWXDMHQK-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(C)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072212733 385078539 /nfs/dbraw/zinc/07/85/39/385078539.db2.gz QBACLFTWXDMHQK-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072212775 385080060 /nfs/dbraw/zinc/08/00/60/385080060.db2.gz VHFKJTOLINKVOF-AWEZNQCLSA-N 1 0 247.386 3.083 40 0 BGABRO CCN(C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072212776 385079243 /nfs/dbraw/zinc/07/92/43/385079243.db2.gz VHFKJTOLINKVOF-CQSZACIVSA-N 1 0 247.386 3.083 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)CC ZINC000072212777 259526589 /nfs/dbraw/zinc/52/65/89/259526589.db2.gz JUZKZLXWIAJBND-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)CC ZINC000072212778 385080776 /nfs/dbraw/zinc/08/07/76/385080776.db2.gz JUZKZLXWIAJBND-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(C)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072212792 385080909 /nfs/dbraw/zinc/08/09/09/385080909.db2.gz VQHBUGOFCKSZMJ-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072212793 385079531 /nfs/dbraw/zinc/07/95/31/385079531.db2.gz VQHBUGOFCKSZMJ-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072212827 385080086 /nfs/dbraw/zinc/08/00/86/385080086.db2.gz LBDJAPWDQBYUCD-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072212828 385080276 /nfs/dbraw/zinc/08/02/76/385080276.db2.gz LBDJAPWDQBYUCD-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072212850 385079822 /nfs/dbraw/zinc/07/98/22/385079822.db2.gz GXMQONBLTWXLLM-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072212851 385078617 /nfs/dbraw/zinc/07/86/17/385078617.db2.gz GXMQONBLTWXLLM-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072212887 259317357 /nfs/dbraw/zinc/31/73/57/259317357.db2.gz YTURVWSBURYRFN-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072212888 259317305 /nfs/dbraw/zinc/31/73/05/259317305.db2.gz YTURVWSBURYRFN-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072212910 385079333 /nfs/dbraw/zinc/07/93/33/385079333.db2.gz HUNSCEZDROPVSD-AWEZNQCLSA-N 1 0 247.386 3.085 40 0 BGABRO CCN(CC)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072212911 259526319 /nfs/dbraw/zinc/52/63/19/259526319.db2.gz HUNSCEZDROPVSD-CQSZACIVSA-N 1 0 247.386 3.085 40 0 BGABRO CC(C)N(c1ccc(C2=[NH+]CCC2)cn1)C(C)C ZINC000072212937 385080947 /nfs/dbraw/zinc/08/09/47/385080947.db2.gz DPMDZWZKWPYXAS-UHFFFAOYSA-N 1 0 245.370 3.288 40 0 BGABRO CC(C)N(c1ccc([C@@H]2CCC[NH2+]2)cn1)C(C)C ZINC000072212938 385079754 /nfs/dbraw/zinc/07/97/54/385079754.db2.gz XCKMTOFGHJHKHL-AWEZNQCLSA-N 1 0 247.386 3.129 40 0 BGABRO CC(C)N(c1ccc([C@H]2CCC[NH2+]2)cn1)C(C)C ZINC000072212939 385080377 /nfs/dbraw/zinc/08/03/77/385080377.db2.gz XCKMTOFGHJHKHL-CQSZACIVSA-N 1 0 247.386 3.129 40 0 BGABRO CC(C)N(c1ncccc1C1=[NH+]CCC1)C(C)C ZINC000072212997 385078158 /nfs/dbraw/zinc/07/81/58/385078158.db2.gz HOXCVGANWRUUKC-UHFFFAOYSA-N 1 0 245.370 3.288 40 0 BGABRO CC(C)N(c1ncccc1[C@@H]1CCC[NH2+]1)C(C)C ZINC000072212998 385078022 /nfs/dbraw/zinc/07/80/22/385078022.db2.gz WAWLMGYRQUTAOD-AWEZNQCLSA-N 1 0 247.386 3.129 40 0 BGABRO CC(C)N(c1ncccc1[C@H]1CCC[NH2+]1)C(C)C ZINC000072212999 385078932 /nfs/dbraw/zinc/07/89/32/385078932.db2.gz WAWLMGYRQUTAOD-CQSZACIVSA-N 1 0 247.386 3.129 40 0 BGABRO CCNc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213073 385080738 /nfs/dbraw/zinc/08/07/38/385080738.db2.gz NNYZMJXKOVOZMP-ZDUSSCGKSA-N 1 0 233.359 3.059 40 0 BGABRO CCNc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213074 385080972 /nfs/dbraw/zinc/08/09/72/385080972.db2.gz NNYZMJXKOVOZMP-CYBMUJFWSA-N 1 0 233.359 3.059 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(NCC)nc1 ZINC000072213075 259317675 /nfs/dbraw/zinc/31/76/75/259317675.db2.gz XVZKESHDOCODRW-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(NCC)nc1 ZINC000072213076 259317510 /nfs/dbraw/zinc/31/75/10/259317510.db2.gz XVZKESHDOCODRW-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCNc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072213077 259317244 /nfs/dbraw/zinc/31/72/44/259317244.db2.gz OTNVNMLCRUODPW-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CCNc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072213078 259317446 /nfs/dbraw/zinc/31/74/46/259317446.db2.gz OTNVNMLCRUODPW-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NCC)nc1 ZINC000072213079 259318329 /nfs/dbraw/zinc/31/83/29/259318329.db2.gz YPRXKVULMIPBFZ-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NCC)nc1 ZINC000072213080 259318039 /nfs/dbraw/zinc/31/80/39/259318039.db2.gz YPRXKVULMIPBFZ-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCNc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213090 385079049 /nfs/dbraw/zinc/07/90/49/385079049.db2.gz QSPDNIHKWARUOV-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCNc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213091 385080034 /nfs/dbraw/zinc/08/00/34/385080034.db2.gz QSPDNIHKWARUOV-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC)nc1 ZINC000072213092 259526203 /nfs/dbraw/zinc/52/62/03/259526203.db2.gz IAIGOGQHZBDKEC-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NCC)nc1 ZINC000072213093 385078195 /nfs/dbraw/zinc/07/81/95/385078195.db2.gz IAIGOGQHZBDKEC-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072213094 385078749 /nfs/dbraw/zinc/07/87/49/385078749.db2.gz OVHSLAPWZNJMKX-AWEZNQCLSA-N 1 0 247.386 3.449 40 0 BGABRO CCNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072213095 385079359 /nfs/dbraw/zinc/07/93/59/385079359.db2.gz OVHSLAPWZNJMKX-CQSZACIVSA-N 1 0 247.386 3.449 40 0 BGABRO CCCNc1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072213125 385079253 /nfs/dbraw/zinc/07/92/53/385079253.db2.gz CPGLAGXRTPXYGZ-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072213126 259526324 /nfs/dbraw/zinc/52/63/24/259526324.db2.gz CPGLAGXRTPXYGZ-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072213133 385078943 /nfs/dbraw/zinc/07/89/43/385078943.db2.gz NXGBICQIFNSAJZ-AWEZNQCLSA-N 1 0 247.386 3.449 40 0 BGABRO CCCNc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072213134 385080254 /nfs/dbraw/zinc/08/02/54/385080254.db2.gz NXGBICQIFNSAJZ-CQSZACIVSA-N 1 0 247.386 3.449 40 0 BGABRO CCCNc1ncccc1[C@@H]1CCC[N@@H+]1CCC ZINC000072213135 385079143 /nfs/dbraw/zinc/07/91/43/385079143.db2.gz SHKMBYVHNPCNRM-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ncccc1[C@H]1CCC[N@@H+]1CCC ZINC000072213136 385079194 /nfs/dbraw/zinc/07/91/94/385079194.db2.gz SHKMBYVHNPCNRM-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072213148 385078769 /nfs/dbraw/zinc/07/87/69/385078769.db2.gz ADSJJMYPSPTYJN-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072213149 385080685 /nfs/dbraw/zinc/08/06/85/385080685.db2.gz ADSJJMYPSPTYJN-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072213150 385078862 /nfs/dbraw/zinc/07/88/62/385078862.db2.gz DIALFAUDIKXWNL-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072213151 385079568 /nfs/dbraw/zinc/07/95/68/385079568.db2.gz DIALFAUDIKXWNL-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072213185 259318298 /nfs/dbraw/zinc/31/82/98/259318298.db2.gz RRUJHYQHKREMAE-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072213186 259318144 /nfs/dbraw/zinc/31/81/44/259318144.db2.gz RRUJHYQHKREMAE-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213193 385080070 /nfs/dbraw/zinc/08/00/70/385080070.db2.gz UQHAGRWQYPPXLP-AWEZNQCLSA-N 1 0 247.386 3.449 40 0 BGABRO CCCNc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213194 385080206 /nfs/dbraw/zinc/08/02/06/385080206.db2.gz UQHAGRWQYPPXLP-CQSZACIVSA-N 1 0 247.386 3.449 40 0 BGABRO CCCNc1ccc([C@@H]2CCC[N@@H+]2CCC)cn1 ZINC000072213195 385078324 /nfs/dbraw/zinc/07/83/24/385078324.db2.gz GVWHBSPJSJUEBL-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ccc([C@H]2CCC[N@@H+]2CCC)cn1 ZINC000072213196 385078667 /nfs/dbraw/zinc/07/86/67/385078667.db2.gz GVWHBSPJSJUEBL-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072213208 385080331 /nfs/dbraw/zinc/08/03/31/385080331.db2.gz SKZNZQBDNFJOBY-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072213209 385080570 /nfs/dbraw/zinc/08/05/70/385080570.db2.gz SKZNZQBDNFJOBY-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCNc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213210 259527320 /nfs/dbraw/zinc/52/73/20/259527320.db2.gz CGYWRVSKLKCPMR-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCNc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213211 385078690 /nfs/dbraw/zinc/07/86/90/385078690.db2.gz CGYWRVSKLKCPMR-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213245 385078989 /nfs/dbraw/zinc/07/89/89/385078989.db2.gz OWVGOOLAIXRXMY-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1cccnc1NCC(C)C ZINC000072213246 259318074 /nfs/dbraw/zinc/31/80/74/259318074.db2.gz OWVGOOLAIXRXMY-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CC(C)CNc1ncccc1C1=[NH+]CCCC1 ZINC000072213265 259526905 /nfs/dbraw/zinc/52/69/05/259526905.db2.gz JIDFDMRIOOKGPE-UHFFFAOYSA-N 1 0 231.343 3.123 40 0 BGABRO CC(C)CNc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072213268 385080467 /nfs/dbraw/zinc/08/04/67/385080467.db2.gz FTTHGXNLWZKGAM-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CC(C)CNc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072213269 385080421 /nfs/dbraw/zinc/08/04/21/385080421.db2.gz FTTHGXNLWZKGAM-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(NCC(C)C)nc1 ZINC000072213305 385078082 /nfs/dbraw/zinc/07/80/82/385078082.db2.gz KLLDRMUPQIYGIH-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213306 385078644 /nfs/dbraw/zinc/07/86/44/385078644.db2.gz KLLDRMUPQIYGIH-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CC(C)CNc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072213325 385078111 /nfs/dbraw/zinc/07/81/11/385078111.db2.gz XGAADSDDAOLBMX-UHFFFAOYSA-N 1 0 231.343 3.123 40 0 BGABRO CC(C)CNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072213328 385078295 /nfs/dbraw/zinc/07/82/95/385078295.db2.gz BBKGQSLAGOIUOK-AWEZNQCLSA-N 1 0 247.386 3.306 40 0 BGABRO CC(C)CNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072213329 385079436 /nfs/dbraw/zinc/07/94/36/385079436.db2.gz BBKGQSLAGOIUOK-CQSZACIVSA-N 1 0 247.386 3.306 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072213363 385083986 /nfs/dbraw/zinc/08/39/86/385083986.db2.gz SELOUKJRFXQNGN-YPMHNXCESA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072213364 259526982 /nfs/dbraw/zinc/52/69/82/259526982.db2.gz SELOUKJRFXQNGN-AAEUAGOBSA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072213365 259527297 /nfs/dbraw/zinc/52/72/97/259527297.db2.gz SELOUKJRFXQNGN-DGCLKSJQSA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072213366 385082661 /nfs/dbraw/zinc/08/26/61/385082661.db2.gz SELOUKJRFXQNGN-WCQYABFASA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072213375 259318431 /nfs/dbraw/zinc/31/84/31/259318431.db2.gz ODOHUICEPYCSIM-OCCSQVGLSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072213376 259317880 /nfs/dbraw/zinc/31/78/80/259317880.db2.gz ODOHUICEPYCSIM-JSGCOSHPSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072213377 259318290 /nfs/dbraw/zinc/31/82/90/259318290.db2.gz ODOHUICEPYCSIM-TZMCWYRMSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072213378 259318456 /nfs/dbraw/zinc/31/84/56/259318456.db2.gz ODOHUICEPYCSIM-GXTWGEPZSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ncccc1C1=[NH+]CCCC1 ZINC000072213411 385082444 /nfs/dbraw/zinc/08/24/44/385082444.db2.gz MFYSRFJRXUBNJE-LLVKDONJSA-N 1 0 231.343 3.265 40 0 BGABRO CC[C@H](C)Nc1ncccc1C1=[NH+]CCCC1 ZINC000072213412 385083112 /nfs/dbraw/zinc/08/31/12/385083112.db2.gz MFYSRFJRXUBNJE-NSHDSACASA-N 1 0 231.343 3.265 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072213413 385084702 /nfs/dbraw/zinc/08/47/02/385084702.db2.gz KUUZJTGCMMZLHT-YPMHNXCESA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072213414 385083924 /nfs/dbraw/zinc/08/39/24/385083924.db2.gz KUUZJTGCMMZLHT-AAEUAGOBSA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072213415 385084350 /nfs/dbraw/zinc/08/43/50/385084350.db2.gz KUUZJTGCMMZLHT-DGCLKSJQSA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072213416 385083492 /nfs/dbraw/zinc/08/34/92/385083492.db2.gz KUUZJTGCMMZLHT-WCQYABFASA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072213417 385083552 /nfs/dbraw/zinc/08/35/52/385083552.db2.gz UJXATQVUTGXNNP-OCCSQVGLSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072213418 385082583 /nfs/dbraw/zinc/08/25/83/385082583.db2.gz UJXATQVUTGXNNP-JSGCOSHPSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072213419 385084719 /nfs/dbraw/zinc/08/47/19/385084719.db2.gz UJXATQVUTGXNNP-TZMCWYRMSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072213420 385082166 /nfs/dbraw/zinc/08/21/66/385082166.db2.gz UJXATQVUTGXNNP-GXTWGEPZSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072213475 385084527 /nfs/dbraw/zinc/08/45/27/385084527.db2.gz LSJBJAOEAPOFNJ-YPMHNXCESA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072213476 385083523 /nfs/dbraw/zinc/08/35/23/385083523.db2.gz LSJBJAOEAPOFNJ-AAEUAGOBSA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072213477 385082862 /nfs/dbraw/zinc/08/28/62/385082862.db2.gz LSJBJAOEAPOFNJ-DGCLKSJQSA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@H](C)Nc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072213478 385083379 /nfs/dbraw/zinc/08/33/79/385083379.db2.gz LSJBJAOEAPOFNJ-WCQYABFASA-N 1 0 233.359 3.059 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072213487 385082900 /nfs/dbraw/zinc/08/29/00/385082900.db2.gz ZRAWYNKXGOZLFJ-OCCSQVGLSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072213488 385082483 /nfs/dbraw/zinc/08/24/83/385082483.db2.gz ZRAWYNKXGOZLFJ-JSGCOSHPSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072213489 385084745 /nfs/dbraw/zinc/08/47/45/385084745.db2.gz ZRAWYNKXGOZLFJ-TZMCWYRMSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072213490 385084290 /nfs/dbraw/zinc/08/42/90/385084290.db2.gz ZRAWYNKXGOZLFJ-GXTWGEPZSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072213523 259318264 /nfs/dbraw/zinc/31/82/64/259318264.db2.gz JFGGTUXNPLDWQW-LLVKDONJSA-N 1 0 231.343 3.265 40 0 BGABRO CC[C@H](C)Nc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072213524 259318060 /nfs/dbraw/zinc/31/80/60/259318060.db2.gz JFGGTUXNPLDWQW-NSHDSACASA-N 1 0 231.343 3.265 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072213525 259318042 /nfs/dbraw/zinc/31/80/42/259318042.db2.gz QMDFHHSBPVMHBL-YPMHNXCESA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@H](C)Nc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072213526 259318425 /nfs/dbraw/zinc/31/84/25/259318425.db2.gz QMDFHHSBPVMHBL-AAEUAGOBSA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072213527 259318414 /nfs/dbraw/zinc/31/84/14/259318414.db2.gz QMDFHHSBPVMHBL-DGCLKSJQSA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@H](C)Nc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072213528 259318393 /nfs/dbraw/zinc/31/83/93/259318393.db2.gz QMDFHHSBPVMHBL-WCQYABFASA-N 1 0 233.359 3.107 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072213529 259317966 /nfs/dbraw/zinc/31/79/66/259317966.db2.gz FWUMOZPIBYFVFR-OCCSQVGLSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072213530 259318063 /nfs/dbraw/zinc/31/80/63/259318063.db2.gz FWUMOZPIBYFVFR-JSGCOSHPSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072213531 259318127 /nfs/dbraw/zinc/31/81/27/259318127.db2.gz FWUMOZPIBYFVFR-TZMCWYRMSA-N 1 0 247.386 3.449 40 0 BGABRO CC[C@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072213532 259317849 /nfs/dbraw/zinc/31/78/49/259317849.db2.gz FWUMOZPIBYFVFR-GXTWGEPZSA-N 1 0 247.386 3.449 40 0 BGABRO CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072213583 385082079 /nfs/dbraw/zinc/08/20/79/385082079.db2.gz XWXCIALCQUNQSK-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCCCNc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072213584 385083798 /nfs/dbraw/zinc/08/37/98/385083798.db2.gz XWXCIALCQUNQSK-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072213589 385082096 /nfs/dbraw/zinc/08/20/96/385082096.db2.gz LYFHGJJGFIUVIM-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072213590 385082354 /nfs/dbraw/zinc/08/23/54/385082354.db2.gz LYFHGJJGFIUVIM-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ncccc1C1=[NH+]CCCC1 ZINC000072213609 385084826 /nfs/dbraw/zinc/08/48/26/385084826.db2.gz NXZDRFUSTJEAMB-UHFFFAOYSA-N 1 0 231.343 3.267 40 0 BGABRO CCCCNc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072213610 259527287 /nfs/dbraw/zinc/52/72/87/259527287.db2.gz ANURGLBEZQDORQ-ZDUSSCGKSA-N 1 0 233.359 3.108 40 0 BGABRO CCCCNc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072213611 385084400 /nfs/dbraw/zinc/08/44/00/385084400.db2.gz ANURGLBEZQDORQ-CYBMUJFWSA-N 1 0 233.359 3.108 40 0 BGABRO CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072213612 385084176 /nfs/dbraw/zinc/08/41/76/385084176.db2.gz OEQQOGJBHIFRBU-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072213613 259526861 /nfs/dbraw/zinc/52/68/61/259526861.db2.gz OEQQOGJBHIFRBU-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072213643 385083116 /nfs/dbraw/zinc/08/31/16/385083116.db2.gz IVKCGMJMPMWUTL-ZDUSSCGKSA-N 1 0 233.359 3.060 40 0 BGABRO CCCCNc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072213644 385081835 /nfs/dbraw/zinc/08/18/35/385081835.db2.gz IVKCGMJMPMWUTL-CYBMUJFWSA-N 1 0 233.359 3.060 40 0 BGABRO CCCCNc1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072213649 385084145 /nfs/dbraw/zinc/08/41/45/385084145.db2.gz NYMGVDVOROLLHL-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072213650 385084508 /nfs/dbraw/zinc/08/45/08/385084508.db2.gz NYMGVDVOROLLHL-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072213669 385083246 /nfs/dbraw/zinc/08/32/46/385083246.db2.gz NNPAXZSKSOYYQL-UHFFFAOYSA-N 1 0 231.343 3.267 40 0 BGABRO CCCCNc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072213670 385082307 /nfs/dbraw/zinc/08/23/07/385082307.db2.gz BXBATPUEJWOIOI-ZDUSSCGKSA-N 1 0 233.359 3.108 40 0 BGABRO CCCCNc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072213671 259527216 /nfs/dbraw/zinc/52/72/16/259527216.db2.gz BXBATPUEJWOIOI-CYBMUJFWSA-N 1 0 233.359 3.108 40 0 BGABRO CCCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072213672 385083398 /nfs/dbraw/zinc/08/33/98/385083398.db2.gz NRTZPIVCOTXNFS-AWEZNQCLSA-N 1 0 247.386 3.450 40 0 BGABRO CCCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072213673 385082629 /nfs/dbraw/zinc/08/26/29/385082629.db2.gz NRTZPIVCOTXNFS-CQSZACIVSA-N 1 0 247.386 3.450 40 0 BGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213717 385081859 /nfs/dbraw/zinc/08/18/59/385081859.db2.gz KIQYJCAAVMDEAB-CQSZACIVSA-N 1 0 245.370 3.201 40 0 BGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213718 385084803 /nfs/dbraw/zinc/08/48/03/385084803.db2.gz KIQYJCAAVMDEAB-AWEZNQCLSA-N 1 0 245.370 3.201 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213719 385083161 /nfs/dbraw/zinc/08/31/61/385083161.db2.gz VEKCFAUGSXYEOY-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213720 385083437 /nfs/dbraw/zinc/08/34/37/385083437.db2.gz VEKCFAUGSXYEOY-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213734 259318410 /nfs/dbraw/zinc/31/84/10/259318410.db2.gz MHAKQDFJKIMTLN-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213735 259317971 /nfs/dbraw/zinc/31/79/71/259317971.db2.gz MHAKQDFJKIMTLN-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213777 385083208 /nfs/dbraw/zinc/08/32/08/385083208.db2.gz OUNZKCABGNQYQH-CQSZACIVSA-N 1 0 245.370 3.201 40 0 BGABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213778 385082949 /nfs/dbraw/zinc/08/29/49/385082949.db2.gz OUNZKCABGNQYQH-AWEZNQCLSA-N 1 0 245.370 3.201 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213779 385083956 /nfs/dbraw/zinc/08/39/56/385083956.db2.gz UNMCDPKWHUKGAZ-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213780 385082331 /nfs/dbraw/zinc/08/23/31/385082331.db2.gz UNMCDPKWHUKGAZ-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213794 385084256 /nfs/dbraw/zinc/08/42/56/385084256.db2.gz IGUREFOEJWMCRE-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213795 259318092 /nfs/dbraw/zinc/31/80/92/259318092.db2.gz IGUREFOEJWMCRE-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213829 385081979 /nfs/dbraw/zinc/08/19/79/385081979.db2.gz OAVQUGSONQFMAQ-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213830 385083250 /nfs/dbraw/zinc/08/32/50/385083250.db2.gz OAVQUGSONQFMAQ-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO c1cc(NC2CCC2)ncc1C1=[NH+]CCCC1 ZINC000072213849 385083641 /nfs/dbraw/zinc/08/36/41/385083641.db2.gz QGUGPQZBKQAVIW-UHFFFAOYSA-N 1 0 229.327 3.019 40 0 BGABRO C[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213852 385083191 /nfs/dbraw/zinc/08/31/91/385083191.db2.gz HLTHFCQCQUXDJY-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO C[N@@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213853 385083868 /nfs/dbraw/zinc/08/38/68/385083868.db2.gz HLTHFCQCQUXDJY-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213889 385083722 /nfs/dbraw/zinc/08/37/22/385083722.db2.gz BEKQRFVPVJULLT-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213890 385084198 /nfs/dbraw/zinc/08/41/98/385084198.db2.gz BEKQRFVPVJULLT-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO c1cnc(NC2CCC2)c(C2=[NH+]CCCC2)c1 ZINC000072213909 259527271 /nfs/dbraw/zinc/52/72/71/259527271.db2.gz OVXVBYSVIGNLMK-UHFFFAOYSA-N 1 0 229.327 3.019 40 0 BGABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213912 259318187 /nfs/dbraw/zinc/31/81/87/259318187.db2.gz KMLQTWWJCJNTON-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO C[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213913 259318428 /nfs/dbraw/zinc/31/84/28/259318428.db2.gz KMLQTWWJCJNTON-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO c1cc(NC2CCCC2)ncc1C1=[NH+]CCC1 ZINC000072213939 259527319 /nfs/dbraw/zinc/52/73/19/259527319.db2.gz JYRGOZPCIKTRIC-UHFFFAOYSA-N 1 0 229.327 3.019 40 0 BGABRO C[N@@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213943 385084094 /nfs/dbraw/zinc/08/40/94/385084094.db2.gz RKKBGFOKSZAYHP-CQSZACIVSA-N 1 0 245.370 3.203 40 0 BGABRO C[N@@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213944 385084379 /nfs/dbraw/zinc/08/43/79/385084379.db2.gz RKKBGFOKSZAYHP-AWEZNQCLSA-N 1 0 245.370 3.203 40 0 BGABRO c1cc(NC2CCCC2)ncc1C1=[NH+]CCCC1 ZINC000072213969 385083939 /nfs/dbraw/zinc/08/39/39/385083939.db2.gz CANMTJNJQVCJNT-UHFFFAOYSA-N 1 0 243.354 3.409 40 0 BGABRO c1cc(NC2CCCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072213970 259527286 /nfs/dbraw/zinc/52/72/86/259527286.db2.gz CNQBLQQRPDISMW-AWEZNQCLSA-N 1 0 245.370 3.251 40 0 BGABRO c1cc(NC2CCCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072213971 385083427 /nfs/dbraw/zinc/08/34/27/385083427.db2.gz CNQBLQQRPDISMW-CQSZACIVSA-N 1 0 245.370 3.251 40 0 BGABRO c1cnc(NC2CCCCC2)c(C2=[NH+]CCC2)c1 ZINC000072213999 385084312 /nfs/dbraw/zinc/08/43/12/385084312.db2.gz REGBLHVVUXGAAW-UHFFFAOYSA-N 1 0 243.354 3.409 40 0 BGABRO c1cnc(NC2CCCCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072214000 385082419 /nfs/dbraw/zinc/08/24/19/385082419.db2.gz RRXJJASUFNOUHA-AWEZNQCLSA-N 1 0 245.370 3.251 40 0 BGABRO c1cnc(NC2CCCCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072214001 385083151 /nfs/dbraw/zinc/08/31/51/385083151.db2.gz RRXJJASUFNOUHA-CQSZACIVSA-N 1 0 245.370 3.251 40 0 BGABRO c1ccc(Nc2ccc(C3=[NH+]CCC3)cn2)cc1 ZINC000072214059 259318253 /nfs/dbraw/zinc/31/82/53/259318253.db2.gz YGQCJHBATDQYHD-UHFFFAOYSA-N 1 0 237.306 3.408 40 0 BGABRO c1ccc(Nc2ccc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072214060 259318358 /nfs/dbraw/zinc/31/83/58/259318358.db2.gz PCKATNTWWXLPKM-AWEZNQCLSA-N 1 0 239.322 3.250 40 0 BGABRO c1ccc(Nc2ccc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072214061 259318308 /nfs/dbraw/zinc/31/83/08/259318308.db2.gz PCKATNTWWXLPKM-CQSZACIVSA-N 1 0 239.322 3.250 40 0 BGABRO c1ccc(Nc2ncccc2C2=[NH+]CCC2)cc1 ZINC000072214119 385083858 /nfs/dbraw/zinc/08/38/58/385083858.db2.gz XFLAJJNMKRQDEK-UHFFFAOYSA-N 1 0 237.306 3.408 40 0 BGABRO c1ccc(Nc2ncccc2[C@@H]2CCC[NH2+]2)cc1 ZINC000072214120 385083648 /nfs/dbraw/zinc/08/36/48/385083648.db2.gz LTNZGAWNLHXJGV-AWEZNQCLSA-N 1 0 239.322 3.250 40 0 BGABRO c1ccc(Nc2ncccc2[C@H]2CCC[NH2+]2)cc1 ZINC000072214121 259528169 /nfs/dbraw/zinc/52/81/69/259528169.db2.gz LTNZGAWNLHXJGV-CQSZACIVSA-N 1 0 239.322 3.250 40 0 BGABRO c1cc(N2CCCCC2)ncc1C1=[NH+]CCCC1 ZINC000072216053 259527771 /nfs/dbraw/zinc/52/77/71/259527771.db2.gz COMKROFVKNVHKZ-UHFFFAOYSA-N 1 0 243.354 3.045 40 0 BGABRO c1cnc(N2CCCCC2)c(C2=[NH+]CCCC2)c1 ZINC000072216113 385094636 /nfs/dbraw/zinc/09/46/36/385094636.db2.gz CXNGBQJKJYIVIA-UHFFFAOYSA-N 1 0 243.354 3.045 40 0 BGABRO c1cc(N2CCCCCC2)ncc1C1=[NH+]CCC1 ZINC000072216623 385098483 /nfs/dbraw/zinc/09/84/83/385098483.db2.gz BLTGBYNRHLZHRK-UHFFFAOYSA-N 1 0 243.354 3.045 40 0 BGABRO c1cnc(N2CCCCCC2)c(C2=[NH+]CCC2)c1 ZINC000072216683 259527763 /nfs/dbraw/zinc/52/77/63/259527763.db2.gz OSESEQITAGAKLD-UHFFFAOYSA-N 1 0 243.354 3.045 40 0 BGABRO CSc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072216880 259318406 /nfs/dbraw/zinc/31/84/06/259318406.db2.gz LLSHHJTXFHOIQL-GFCCVEGCSA-N 1 0 236.384 3.349 40 0 BGABRO CSc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072216881 259318173 /nfs/dbraw/zinc/31/81/73/259318173.db2.gz LLSHHJTXFHOIQL-LBPRGKRZSA-N 1 0 236.384 3.349 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(SC)nc1 ZINC000072216882 259317825 /nfs/dbraw/zinc/31/78/25/259317825.db2.gz XYEYNBOAXLAKNH-GFCCVEGCSA-N 1 0 236.384 3.350 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(SC)nc1 ZINC000072216883 259318216 /nfs/dbraw/zinc/31/82/16/259318216.db2.gz XYEYNBOAXLAKNH-LBPRGKRZSA-N 1 0 236.384 3.350 40 0 BGABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217004 385097722 /nfs/dbraw/zinc/09/77/22/385097722.db2.gz FWFLLBDNQJLNFA-GFCCVEGCSA-N 1 0 236.384 3.163 40 0 BGABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217005 385098293 /nfs/dbraw/zinc/09/82/93/385098293.db2.gz FWFLLBDNQJLNFA-LBPRGKRZSA-N 1 0 236.384 3.163 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217006 385098624 /nfs/dbraw/zinc/09/86/24/385098624.db2.gz UWNCPQAQHRUSNP-GFCCVEGCSA-N 1 0 236.384 3.307 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217007 385097134 /nfs/dbraw/zinc/09/71/34/385097134.db2.gz UWNCPQAQHRUSNP-LBPRGKRZSA-N 1 0 236.384 3.307 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217019 385098548 /nfs/dbraw/zinc/09/85/48/385098548.db2.gz MLUGDOQQBMJEEZ-GFCCVEGCSA-N 1 0 236.384 3.307 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217020 259528282 /nfs/dbraw/zinc/52/82/82/259528282.db2.gz MLUGDOQQBMJEEZ-LBPRGKRZSA-N 1 0 236.384 3.307 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217021 385096538 /nfs/dbraw/zinc/09/65/38/385096538.db2.gz WLLQZDOFQIGRJT-GFCCVEGCSA-N 1 0 236.384 3.306 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217022 385097572 /nfs/dbraw/zinc/09/75/72/385097572.db2.gz WLLQZDOFQIGRJT-LBPRGKRZSA-N 1 0 236.384 3.306 40 0 BGABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc[nH]c1=S ZINC000072217064 385097788 /nfs/dbraw/zinc/09/77/88/385097788.db2.gz XHQFDILQANILAN-GFCCVEGCSA-N 1 0 236.384 3.163 40 0 BGABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc[nH]c1=S ZINC000072217065 385096665 /nfs/dbraw/zinc/09/66/65/385096665.db2.gz XHQFDILQANILAN-LBPRGKRZSA-N 1 0 236.384 3.163 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]c1=S ZINC000072217066 259317856 /nfs/dbraw/zinc/31/78/56/259317856.db2.gz XGPOSWAWQFKYIF-GFCCVEGCSA-N 1 0 236.384 3.307 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc[nH]c1=S ZINC000072217067 259318115 /nfs/dbraw/zinc/31/81/15/259318115.db2.gz XGPOSWAWQFKYIF-LBPRGKRZSA-N 1 0 236.384 3.307 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217079 385097691 /nfs/dbraw/zinc/09/76/91/385097691.db2.gz MOLRIJFGFNQQHR-GFCCVEGCSA-N 1 0 236.384 3.307 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217080 385097024 /nfs/dbraw/zinc/09/70/24/385097024.db2.gz MOLRIJFGFNQQHR-LBPRGKRZSA-N 1 0 236.384 3.307 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217081 385098851 /nfs/dbraw/zinc/09/88/51/385098851.db2.gz XLVUXPKXOVRETI-GFCCVEGCSA-N 1 0 236.384 3.306 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217082 385098372 /nfs/dbraw/zinc/09/83/72/385098372.db2.gz XLVUXPKXOVRETI-LBPRGKRZSA-N 1 0 236.384 3.306 40 0 BGABRO CCSc1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072217112 385097417 /nfs/dbraw/zinc/09/74/17/385097417.db2.gz HSQYEGRQJVKZDE-GFCCVEGCSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072217113 385098509 /nfs/dbraw/zinc/09/85/09/385098509.db2.gz HSQYEGRQJVKZDE-LBPRGKRZSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072217133 385098784 /nfs/dbraw/zinc/09/87/84/385098784.db2.gz OIUKZNJKWXCLQN-NSHDSACASA-N 1 0 222.357 3.008 40 0 BGABRO CCSc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072217134 385097113 /nfs/dbraw/zinc/09/71/13/385097113.db2.gz OIUKZNJKWXCLQN-LLVKDONJSA-N 1 0 222.357 3.008 40 0 BGABRO CCSc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072217135 385098490 /nfs/dbraw/zinc/09/84/90/385098490.db2.gz NYJZVDNQWDWORH-LBPRGKRZSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072217136 385097643 /nfs/dbraw/zinc/09/76/43/385097643.db2.gz NYJZVDNQWDWORH-GFCCVEGCSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072217172 385097001 /nfs/dbraw/zinc/09/70/01/385097001.db2.gz HFZGHUZJSIOMED-GFCCVEGCSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072217173 385098195 /nfs/dbraw/zinc/09/81/95/385098195.db2.gz HFZGHUZJSIOMED-LBPRGKRZSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072217193 385098591 /nfs/dbraw/zinc/09/85/91/385098591.db2.gz HWSPPMUZNJNIRB-NSHDSACASA-N 1 0 222.357 3.008 40 0 BGABRO CCSc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072217194 259527767 /nfs/dbraw/zinc/52/77/67/259527767.db2.gz HWSPPMUZNJNIRB-LLVKDONJSA-N 1 0 222.357 3.008 40 0 BGABRO CCSc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072217195 385097498 /nfs/dbraw/zinc/09/74/98/385097498.db2.gz DELBCWZUJPVJPY-LBPRGKRZSA-N 1 0 236.384 3.350 40 0 BGABRO CCSc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072217196 385098262 /nfs/dbraw/zinc/09/82/62/385098262.db2.gz DELBCWZUJPVJPY-GFCCVEGCSA-N 1 0 236.384 3.350 40 0 BGABRO CC(C)(C)Sc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072217343 385090873 /nfs/dbraw/zinc/09/08/73/385090873.db2.gz WOSVIOKVCXISDO-NSHDSACASA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)(C)Sc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072217344 385089655 /nfs/dbraw/zinc/08/96/55/385089655.db2.gz WOSVIOKVCXISDO-LLVKDONJSA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)(C)Sc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072217403 259528543 /nfs/dbraw/zinc/52/85/43/259528543.db2.gz QEWVZAIVYCKQRJ-NSHDSACASA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)(C)Sc1ncccc1[C@H]1CCC[NH2+]1 ZINC000072217404 385091239 /nfs/dbraw/zinc/09/12/39/385091239.db2.gz QEWVZAIVYCKQRJ-LLVKDONJSA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)Sc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072217463 385091172 /nfs/dbraw/zinc/09/11/72/385091172.db2.gz ZLJCATXFPXIONE-NSHDSACASA-N 1 0 222.357 3.007 40 0 BGABRO CC(C)Sc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072217464 259528517 /nfs/dbraw/zinc/52/85/17/259528517.db2.gz ZLJCATXFPXIONE-LLVKDONJSA-N 1 0 222.357 3.007 40 0 BGABRO CC(C)Sc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072217466 385090692 /nfs/dbraw/zinc/09/06/92/385090692.db2.gz CLNQLPINAPWJNI-LBPRGKRZSA-N 1 0 236.384 3.349 40 0 BGABRO CC(C)Sc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072217467 385091384 /nfs/dbraw/zinc/09/13/84/385091384.db2.gz CLNQLPINAPWJNI-GFCCVEGCSA-N 1 0 236.384 3.349 40 0 BGABRO CC(C)Sc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072217493 385090444 /nfs/dbraw/zinc/09/04/44/385090444.db2.gz GDHQYLIIKPSKOD-LBPRGKRZSA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)Sc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072217494 385090823 /nfs/dbraw/zinc/09/08/23/385090823.db2.gz GDHQYLIIKPSKOD-GFCCVEGCSA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)Sc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072217523 385089103 /nfs/dbraw/zinc/08/91/03/385089103.db2.gz LOTLUKGNONXQIE-NSHDSACASA-N 1 0 222.357 3.007 40 0 BGABRO CC(C)Sc1ncccc1[C@H]1CCC[NH2+]1 ZINC000072217524 385090836 /nfs/dbraw/zinc/09/08/36/385090836.db2.gz LOTLUKGNONXQIE-LLVKDONJSA-N 1 0 222.357 3.007 40 0 BGABRO CC(C)Sc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072217526 385090894 /nfs/dbraw/zinc/09/08/94/385090894.db2.gz APDLNLHAVKJSDA-LBPRGKRZSA-N 1 0 236.384 3.349 40 0 BGABRO CC(C)Sc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072217527 385091332 /nfs/dbraw/zinc/09/13/32/385091332.db2.gz APDLNLHAVKJSDA-GFCCVEGCSA-N 1 0 236.384 3.349 40 0 BGABRO CC(C)Sc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072217553 385090304 /nfs/dbraw/zinc/09/03/04/385090304.db2.gz INBHTBAWCHASFT-LBPRGKRZSA-N 1 0 236.384 3.397 40 0 BGABRO CC(C)Sc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072217554 385089667 /nfs/dbraw/zinc/08/96/67/385089667.db2.gz INBHTBAWCHASFT-GFCCVEGCSA-N 1 0 236.384 3.397 40 0 BGABRO COc1ncc([C@@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC000072217724 385089646 /nfs/dbraw/zinc/08/96/46/385089646.db2.gz QTEQLMJWHMNUSD-AWEZNQCLSA-N 1 0 248.370 3.192 40 0 BGABRO COc1ncc([C@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC000072217725 385089275 /nfs/dbraw/zinc/08/92/75/385089275.db2.gz QTEQLMJWHMNUSD-CQSZACIVSA-N 1 0 248.370 3.192 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217726 259318465 /nfs/dbraw/zinc/31/84/65/259318465.db2.gz KVDVAOFQJNVFLD-CQSZACIVSA-N 1 0 248.370 3.336 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217727 259318462 /nfs/dbraw/zinc/31/84/62/259318462.db2.gz KVDVAOFQJNVFLD-AWEZNQCLSA-N 1 0 248.370 3.336 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217739 385089113 /nfs/dbraw/zinc/08/91/13/385089113.db2.gz IHXUJFTVRFWNSC-CQSZACIVSA-N 1 0 248.370 3.336 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217740 385090498 /nfs/dbraw/zinc/09/04/98/385090498.db2.gz IHXUJFTVRFWNSC-AWEZNQCLSA-N 1 0 248.370 3.336 40 0 BGABRO COc1ncc([C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC000072217741 385089314 /nfs/dbraw/zinc/08/93/14/385089314.db2.gz YBDJTDHQXYAAEZ-AWEZNQCLSA-N 1 0 248.370 3.334 40 0 BGABRO COc1ncc([C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC000072217742 385090957 /nfs/dbraw/zinc/09/09/57/385090957.db2.gz YBDJTDHQXYAAEZ-CQSZACIVSA-N 1 0 248.370 3.334 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217771 385094699 /nfs/dbraw/zinc/09/46/99/385094699.db2.gz PJIZHBNUYDBJKI-LLVKDONJSA-N 1 0 224.735 3.200 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217772 385094024 /nfs/dbraw/zinc/09/40/24/385094024.db2.gz PJIZHBNUYDBJKI-NSHDSACASA-N 1 0 224.735 3.200 40 0 BGABRO Cc1cc([C@@H]2CCCC[N@H+]2C)cnc1Cl ZINC000072217794 385094374 /nfs/dbraw/zinc/09/43/74/385094374.db2.gz ZPRXDHOQYOMGEC-NSHDSACASA-N 1 0 224.735 3.200 40 0 BGABRO Cc1cc([C@H]2CCCC[N@H+]2C)cnc1Cl ZINC000072217795 385094191 /nfs/dbraw/zinc/09/41/91/385094191.db2.gz ZPRXDHOQYOMGEC-LLVKDONJSA-N 1 0 224.735 3.200 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217831 385092897 /nfs/dbraw/zinc/09/28/97/385092897.db2.gz IKRVHHYECBZRJU-LLVKDONJSA-N 1 0 224.735 3.200 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1cnc(Cl)cc1C ZINC000072217832 385093365 /nfs/dbraw/zinc/09/33/65/385093365.db2.gz IKRVHHYECBZRJU-NSHDSACASA-N 1 0 224.735 3.200 40 0 BGABRO Cc1cc(Cl)ncc1[C@@H]1CCCC[N@H+]1C ZINC000072217854 385092876 /nfs/dbraw/zinc/09/28/76/385092876.db2.gz PZVFSGITKCAUSC-NSHDSACASA-N 1 0 224.735 3.200 40 0 BGABRO Cc1cc(Cl)ncc1[C@H]1CCCC[N@H+]1C ZINC000072217855 385094153 /nfs/dbraw/zinc/09/41/53/385094153.db2.gz PZVFSGITKCAUSC-LLVKDONJSA-N 1 0 224.735 3.200 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217891 385094122 /nfs/dbraw/zinc/09/41/22/385094122.db2.gz RFAPHTMPGNUDSK-LLVKDONJSA-N 1 0 224.735 3.200 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1ccc(Cl)nc1C ZINC000072217892 385094466 /nfs/dbraw/zinc/09/44/66/385094466.db2.gz RFAPHTMPGNUDSK-NSHDSACASA-N 1 0 224.735 3.200 40 0 BGABRO Cc1nc(Cl)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072217914 385095054 /nfs/dbraw/zinc/09/50/54/385095054.db2.gz QZCVGKKTTAXRLH-NSHDSACASA-N 1 0 224.735 3.200 40 0 BGABRO Cc1nc(Cl)ccc1[C@H]1CCCC[N@H+]1C ZINC000072217915 385094416 /nfs/dbraw/zinc/09/44/16/385094416.db2.gz QZCVGKKTTAXRLH-LLVKDONJSA-N 1 0 224.735 3.200 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217981 344513930 /nfs/dbraw/zinc/51/39/30/344513930.db2.gz IKZYFZITOYOAAT-CQSZACIVSA-N 1 0 248.370 3.010 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217982 344514210 /nfs/dbraw/zinc/51/42/10/344514210.db2.gz IKZYFZITOYOAAT-AWEZNQCLSA-N 1 0 248.370 3.010 40 0 BGABRO COc1cc(C)c([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072218019 385097948 /nfs/dbraw/zinc/09/79/48/385097948.db2.gz XZHBCJNGHCMIGE-AWEZNQCLSA-N 1 0 248.370 3.192 40 0 BGABRO COc1cc(C)c([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072218020 259317976 /nfs/dbraw/zinc/31/79/76/259317976.db2.gz XZHBCJNGHCMIGE-CQSZACIVSA-N 1 0 248.370 3.192 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(OC)cc1C ZINC000072218021 259318227 /nfs/dbraw/zinc/31/82/27/259318227.db2.gz KXCQUKYXUKWJNO-CQSZACIVSA-N 1 0 248.370 3.336 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(OC)cc1C ZINC000072218022 259318339 /nfs/dbraw/zinc/31/83/39/259318339.db2.gz KXCQUKYXUKWJNO-AWEZNQCLSA-N 1 0 248.370 3.336 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(OC)cc1C ZINC000072218034 385087568 /nfs/dbraw/zinc/08/75/68/385087568.db2.gz RHEFQLSCHLJASQ-CQSZACIVSA-N 1 0 248.370 3.336 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(OC)cc1C ZINC000072218035 385086040 /nfs/dbraw/zinc/08/60/40/385086040.db2.gz RHEFQLSCHLJASQ-AWEZNQCLSA-N 1 0 248.370 3.336 40 0 BGABRO COc1cc(C)c([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072218036 385086825 /nfs/dbraw/zinc/08/68/25/385086825.db2.gz GAWGGYFHUQITJG-AWEZNQCLSA-N 1 0 248.370 3.334 40 0 BGABRO COc1cc(C)c([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072218037 385086970 /nfs/dbraw/zinc/08/69/70/385086970.db2.gz GAWGGYFHUQITJG-CQSZACIVSA-N 1 0 248.370 3.334 40 0 BGABRO COc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072218079 385090975 /nfs/dbraw/zinc/09/09/75/385090975.db2.gz UDSMKENOLKEJEJ-AWEZNQCLSA-N 1 0 248.370 3.192 40 0 BGABRO COc1ccc([C@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072218080 385090643 /nfs/dbraw/zinc/09/06/43/385090643.db2.gz UDSMKENOLKEJEJ-CQSZACIVSA-N 1 0 248.370 3.192 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)nc1C ZINC000072218081 385090811 /nfs/dbraw/zinc/09/08/11/385090811.db2.gz UPCNSLWSCISEIK-CQSZACIVSA-N 1 0 248.370 3.336 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)nc1C ZINC000072218082 385091277 /nfs/dbraw/zinc/09/12/77/385091277.db2.gz UPCNSLWSCISEIK-AWEZNQCLSA-N 1 0 248.370 3.336 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(OC)nc1C ZINC000072218094 259318443 /nfs/dbraw/zinc/31/84/43/259318443.db2.gz DVSUXCXPIZWDQH-CQSZACIVSA-N 1 0 248.370 3.336 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(OC)nc1C ZINC000072218095 259318387 /nfs/dbraw/zinc/31/83/87/259318387.db2.gz DVSUXCXPIZWDQH-AWEZNQCLSA-N 1 0 248.370 3.336 40 0 BGABRO COc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)c(C)n1 ZINC000072218096 259317925 /nfs/dbraw/zinc/31/79/25/259317925.db2.gz WQQQKROAWLUQOJ-AWEZNQCLSA-N 1 0 248.370 3.334 40 0 BGABRO COc1ccc([C@H]2CCCC[N@@H+]2C(C)C)c(C)n1 ZINC000072218097 259318397 /nfs/dbraw/zinc/31/83/97/259318397.db2.gz WQQQKROAWLUQOJ-CQSZACIVSA-N 1 0 248.370 3.334 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218145 385102058 /nfs/dbraw/zinc/10/20/58/385102058.db2.gz DMERYEDCURWETA-CYBMUJFWSA-N 1 0 234.343 3.033 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218146 259528918 /nfs/dbraw/zinc/52/89/18/259528918.db2.gz DMERYEDCURWETA-ZDUSSCGKSA-N 1 0 234.343 3.033 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218158 385101570 /nfs/dbraw/zinc/10/15/70/385101570.db2.gz JUOXWUWVXZNMHY-CYBMUJFWSA-N 1 0 234.343 3.033 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218159 259529076 /nfs/dbraw/zinc/52/90/76/259529076.db2.gz JUOXWUWVXZNMHY-ZDUSSCGKSA-N 1 0 234.343 3.033 40 0 BGABRO Cc1cc(=O)[nH]cc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218160 385101605 /nfs/dbraw/zinc/10/16/05/385101605.db2.gz CQSXDXRONLJBTO-ZDUSSCGKSA-N 1 0 234.343 3.031 40 0 BGABRO Cc1cc(=O)[nH]cc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218161 385099627 /nfs/dbraw/zinc/09/96/27/385099627.db2.gz CQSXDXRONLJBTO-CYBMUJFWSA-N 1 0 234.343 3.031 40 0 BGABRO Cc1cc(=O)[nH]cc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218162 385100037 /nfs/dbraw/zinc/10/00/37/385100037.db2.gz PXFRLOIVKWYRGV-AWEZNQCLSA-N 1 0 248.370 3.279 40 0 BGABRO Cc1cc(=O)[nH]cc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218163 385100879 /nfs/dbraw/zinc/10/08/79/385100879.db2.gz PXFRLOIVKWYRGV-CQSZACIVSA-N 1 0 248.370 3.279 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218164 385102140 /nfs/dbraw/zinc/10/21/40/385102140.db2.gz NITQRLMZHRDERB-CQSZACIVSA-N 1 0 248.370 3.423 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218165 259529009 /nfs/dbraw/zinc/52/90/09/259529009.db2.gz NITQRLMZHRDERB-AWEZNQCLSA-N 1 0 248.370 3.423 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218205 259528590 /nfs/dbraw/zinc/52/85/90/259528590.db2.gz LCPACCOLCMYNDQ-CYBMUJFWSA-N 1 0 234.343 3.033 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218206 385100716 /nfs/dbraw/zinc/10/07/16/385100716.db2.gz LCPACCOLCMYNDQ-ZDUSSCGKSA-N 1 0 234.343 3.033 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218218 259317939 /nfs/dbraw/zinc/31/79/39/259317939.db2.gz RCTAUVJHXNKDLA-CYBMUJFWSA-N 1 0 234.343 3.033 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218219 259318423 /nfs/dbraw/zinc/31/84/23/259318423.db2.gz RCTAUVJHXNKDLA-ZDUSSCGKSA-N 1 0 234.343 3.033 40 0 BGABRO Cc1[nH]c(=O)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218220 259318193 /nfs/dbraw/zinc/31/81/93/259318193.db2.gz JJFIGJIQRRKGGT-ZDUSSCGKSA-N 1 0 234.343 3.031 40 0 BGABRO Cc1[nH]c(=O)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218221 259318165 /nfs/dbraw/zinc/31/81/65/259318165.db2.gz JJFIGJIQRRKGGT-CYBMUJFWSA-N 1 0 234.343 3.031 40 0 BGABRO Cc1[nH]c(=O)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218222 259318240 /nfs/dbraw/zinc/31/82/40/259318240.db2.gz IOHUAQLWYNVYSB-AWEZNQCLSA-N 1 0 248.370 3.279 40 0 BGABRO Cc1[nH]c(=O)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218223 259317900 /nfs/dbraw/zinc/31/79/00/259317900.db2.gz IOHUAQLWYNVYSB-CQSZACIVSA-N 1 0 248.370 3.279 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218224 259318254 /nfs/dbraw/zinc/31/82/54/259318254.db2.gz LALAUXWGLBWRNX-CQSZACIVSA-N 1 0 248.370 3.423 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218225 259317935 /nfs/dbraw/zinc/31/79/35/259317935.db2.gz LALAUXWGLBWRNX-AWEZNQCLSA-N 1 0 248.370 3.423 40 0 BGABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)c[nH]c1=S ZINC000072218259 385101170 /nfs/dbraw/zinc/10/11/70/385101170.db2.gz USKMEYFEGIYJHT-LBPRGKRZSA-N 1 0 236.384 3.224 40 0 BGABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)c[nH]c1=S ZINC000072218260 385100898 /nfs/dbraw/zinc/10/08/98/385100898.db2.gz USKMEYFEGIYJHT-GFCCVEGCSA-N 1 0 236.384 3.224 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218261 385101457 /nfs/dbraw/zinc/10/14/57/385101457.db2.gz BWNMUNFBQLCCGL-GFCCVEGCSA-N 1 0 236.384 3.226 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218262 385100747 /nfs/dbraw/zinc/10/07/47/385100747.db2.gz BWNMUNFBQLCCGL-LBPRGKRZSA-N 1 0 236.384 3.226 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218276 259318380 /nfs/dbraw/zinc/31/83/80/259318380.db2.gz DGXWTEGDGUVHTR-GFCCVEGCSA-N 1 0 236.384 3.226 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218277 259318183 /nfs/dbraw/zinc/31/81/83/259318183.db2.gz DGXWTEGDGUVHTR-LBPRGKRZSA-N 1 0 236.384 3.226 40 0 BGABRO Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072218319 385099570 /nfs/dbraw/zinc/09/95/70/385099570.db2.gz SCABHWLXTGKNDB-LBPRGKRZSA-N 1 0 236.384 3.224 40 0 BGABRO Cc1cc(=S)[nH]cc1[C@H]1CCC[N@H+]1C(C)C ZINC000072218320 385099840 /nfs/dbraw/zinc/09/98/40/385099840.db2.gz SCABHWLXTGKNDB-GFCCVEGCSA-N 1 0 236.384 3.224 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218321 385099765 /nfs/dbraw/zinc/09/97/65/385099765.db2.gz MYKBUGXGPJIDNG-GFCCVEGCSA-N 1 0 236.384 3.226 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218322 259529856 /nfs/dbraw/zinc/52/98/56/259529856.db2.gz MYKBUGXGPJIDNG-LBPRGKRZSA-N 1 0 236.384 3.226 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218336 259318345 /nfs/dbraw/zinc/31/83/45/259318345.db2.gz HJNLSVBPISMRAK-GFCCVEGCSA-N 1 0 236.384 3.226 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218337 259318119 /nfs/dbraw/zinc/31/81/19/259318119.db2.gz HJNLSVBPISMRAK-LBPRGKRZSA-N 1 0 236.384 3.226 40 0 BGABRO Cc1[nH]c(=S)ccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072218379 385100942 /nfs/dbraw/zinc/10/09/42/385100942.db2.gz QCAVMFVXQFDPGP-LBPRGKRZSA-N 1 0 236.384 3.224 40 0 BGABRO Cc1[nH]c(=S)ccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072218380 385100327 /nfs/dbraw/zinc/10/03/27/385100327.db2.gz QCAVMFVXQFDPGP-GFCCVEGCSA-N 1 0 236.384 3.224 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218381 385101453 /nfs/dbraw/zinc/10/14/53/385101453.db2.gz IPSSABIUEPCXIW-GFCCVEGCSA-N 1 0 236.384 3.226 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218382 385100539 /nfs/dbraw/zinc/10/05/39/385100539.db2.gz IPSSABIUEPCXIW-LBPRGKRZSA-N 1 0 236.384 3.226 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218396 259318283 /nfs/dbraw/zinc/31/82/83/259318283.db2.gz ZYLQJLBIHWVFKC-GFCCVEGCSA-N 1 0 236.384 3.226 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218397 259318155 /nfs/dbraw/zinc/31/81/55/259318155.db2.gz ZYLQJLBIHWVFKC-LBPRGKRZSA-N 1 0 236.384 3.226 40 0 BGABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)cnc1N ZINC000072218462 259317943 /nfs/dbraw/zinc/31/79/43/259317943.db2.gz RXXKMLGZNQNSFM-AWEZNQCLSA-N 1 0 247.386 3.155 40 0 BGABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)cnc1N ZINC000072218463 259317896 /nfs/dbraw/zinc/31/78/96/259317896.db2.gz RXXKMLGZNQNSFM-CQSZACIVSA-N 1 0 247.386 3.155 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218464 259318446 /nfs/dbraw/zinc/31/84/46/259318446.db2.gz FPHFTRHSPQTBKP-CQSZACIVSA-N 1 0 247.386 3.299 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218465 259318488 /nfs/dbraw/zinc/31/84/88/259318488.db2.gz FPHFTRHSPQTBKP-AWEZNQCLSA-N 1 0 247.386 3.299 40 0 BGABRO Cc1cc(N)ncc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218522 259318347 /nfs/dbraw/zinc/31/83/47/259318347.db2.gz MAPZMKGCYRGWSL-AWEZNQCLSA-N 1 0 247.386 3.155 40 0 BGABRO Cc1cc(N)ncc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218523 259318385 /nfs/dbraw/zinc/31/83/85/259318385.db2.gz MAPZMKGCYRGWSL-CQSZACIVSA-N 1 0 247.386 3.155 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N)cc1C ZINC000072218524 259317833 /nfs/dbraw/zinc/31/78/33/259317833.db2.gz IZEGMEHEFXULHZ-CQSZACIVSA-N 1 0 247.386 3.299 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N)cc1C ZINC000072218525 259318207 /nfs/dbraw/zinc/31/82/07/259318207.db2.gz IZEGMEHEFXULHZ-AWEZNQCLSA-N 1 0 247.386 3.299 40 0 BGABRO Cc1nc(N)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218582 259318236 /nfs/dbraw/zinc/31/82/36/259318236.db2.gz GASKBINBBDTBFR-AWEZNQCLSA-N 1 0 247.386 3.155 40 0 BGABRO Cc1nc(N)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218583 259318375 /nfs/dbraw/zinc/31/83/75/259318375.db2.gz GASKBINBBDTBFR-CQSZACIVSA-N 1 0 247.386 3.155 40 0 BGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N)nc1C ZINC000072218584 259318356 /nfs/dbraw/zinc/31/83/56/259318356.db2.gz LIMWWWFVPIHXAQ-CQSZACIVSA-N 1 0 247.386 3.299 40 0 BGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N)nc1C ZINC000072218585 259318334 /nfs/dbraw/zinc/31/83/34/259318334.db2.gz LIMWWWFVPIHXAQ-AWEZNQCLSA-N 1 0 247.386 3.299 40 0 BGABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)cnc1N(C)C ZINC000072218619 385101893 /nfs/dbraw/zinc/10/18/93/385101893.db2.gz WDPSASOVEQTFMW-AWEZNQCLSA-N 1 0 247.386 3.001 40 0 BGABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)cnc1N(C)C ZINC000072218620 385100098 /nfs/dbraw/zinc/10/00/98/385100098.db2.gz WDPSASOVEQTFMW-CQSZACIVSA-N 1 0 247.386 3.001 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218621 385101905 /nfs/dbraw/zinc/10/19/05/385101905.db2.gz HGJSHBDVMPSRQQ-CQSZACIVSA-N 1 0 247.386 3.003 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218622 385100424 /nfs/dbraw/zinc/10/04/24/385100424.db2.gz HGJSHBDVMPSRQQ-AWEZNQCLSA-N 1 0 247.386 3.003 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218636 385100684 /nfs/dbraw/zinc/10/06/84/385100684.db2.gz VHIVCMJANKOBQQ-CQSZACIVSA-N 1 0 247.386 3.003 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218637 385101320 /nfs/dbraw/zinc/10/13/20/385101320.db2.gz VHIVCMJANKOBQQ-AWEZNQCLSA-N 1 0 247.386 3.003 40 0 BGABRO Cc1cc(N(C)C)ncc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072218679 385104099 /nfs/dbraw/zinc/10/40/99/385104099.db2.gz CISXZOSOGWUDLR-AWEZNQCLSA-N 1 0 247.386 3.001 40 0 BGABRO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@H+]1C(C)C ZINC000072218680 385103469 /nfs/dbraw/zinc/10/34/69/385103469.db2.gz CISXZOSOGWUDLR-CQSZACIVSA-N 1 0 247.386 3.001 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218681 385104334 /nfs/dbraw/zinc/10/43/34/385104334.db2.gz QENURQXAOQHWOQ-CQSZACIVSA-N 1 0 247.386 3.003 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218682 385105037 /nfs/dbraw/zinc/10/50/37/385105037.db2.gz QENURQXAOQHWOQ-AWEZNQCLSA-N 1 0 247.386 3.003 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218696 385103278 /nfs/dbraw/zinc/10/32/78/385103278.db2.gz XSFFTGFRXLXANK-CQSZACIVSA-N 1 0 247.386 3.003 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218697 385104716 /nfs/dbraw/zinc/10/47/16/385104716.db2.gz XSFFTGFRXLXANK-AWEZNQCLSA-N 1 0 247.386 3.003 40 0 BGABRO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072218739 259529167 /nfs/dbraw/zinc/52/91/67/259529167.db2.gz OQPQRXZOVHHFRX-AWEZNQCLSA-N 1 0 247.386 3.001 40 0 BGABRO Cc1nc(N(C)C)ccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072218740 385104568 /nfs/dbraw/zinc/10/45/68/385104568.db2.gz OQPQRXZOVHHFRX-CQSZACIVSA-N 1 0 247.386 3.001 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218741 259529533 /nfs/dbraw/zinc/52/95/33/259529533.db2.gz QYSGXYYKQFRLTM-CQSZACIVSA-N 1 0 247.386 3.003 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218742 385103421 /nfs/dbraw/zinc/10/34/21/385103421.db2.gz QYSGXYYKQFRLTM-AWEZNQCLSA-N 1 0 247.386 3.003 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218756 385103790 /nfs/dbraw/zinc/10/37/90/385103790.db2.gz UYKWBYBLSIJTTK-CQSZACIVSA-N 1 0 247.386 3.003 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218757 385104954 /nfs/dbraw/zinc/10/49/54/385104954.db2.gz UYKWBYBLSIJTTK-AWEZNQCLSA-N 1 0 247.386 3.003 40 0 BGABRO CNc1ncc([C@@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC000072218983 259318684 /nfs/dbraw/zinc/31/86/84/259318684.db2.gz RXBYMYJFQNTHAB-AWEZNQCLSA-N 1 0 247.386 3.225 40 0 BGABRO CNc1ncc([C@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC000072218984 259318916 /nfs/dbraw/zinc/31/89/16/259318916.db2.gz RXBYMYJFQNTHAB-CQSZACIVSA-N 1 0 247.386 3.225 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218985 259318956 /nfs/dbraw/zinc/31/89/56/259318956.db2.gz QFBAPTZHRBKJMK-CQSZACIVSA-N 1 0 247.386 3.369 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218986 259318360 /nfs/dbraw/zinc/31/83/60/259318360.db2.gz QFBAPTZHRBKJMK-AWEZNQCLSA-N 1 0 247.386 3.369 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218998 385104022 /nfs/dbraw/zinc/10/40/22/385104022.db2.gz HOZJXSAGZJWECT-CQSZACIVSA-N 1 0 247.386 3.369 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218999 385103398 /nfs/dbraw/zinc/10/33/98/385103398.db2.gz HOZJXSAGZJWECT-AWEZNQCLSA-N 1 0 247.386 3.369 40 0 BGABRO CNc1ncc([C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC000072219000 385105569 /nfs/dbraw/zinc/10/55/69/385105569.db2.gz QKTSKOFWIFVKAC-AWEZNQCLSA-N 1 0 247.386 3.367 40 0 BGABRO CNc1ncc([C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC000072219001 385103498 /nfs/dbraw/zinc/10/34/98/385103498.db2.gz QKTSKOFWIFVKAC-CQSZACIVSA-N 1 0 247.386 3.367 40 0 BGABRO CNc1cc(C)c([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072219043 385103727 /nfs/dbraw/zinc/10/37/27/385103727.db2.gz GZKYTPXVKGCEQC-AWEZNQCLSA-N 1 0 247.386 3.225 40 0 BGABRO CNc1cc(C)c([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072219044 385104357 /nfs/dbraw/zinc/10/43/57/385104357.db2.gz GZKYTPXVKGCEQC-CQSZACIVSA-N 1 0 247.386 3.225 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(NC)cc1C ZINC000072219045 385104501 /nfs/dbraw/zinc/10/45/01/385104501.db2.gz WAAJBIUTNOAJEO-CQSZACIVSA-N 1 0 247.386 3.369 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(NC)cc1C ZINC000072219046 385103112 /nfs/dbraw/zinc/10/31/12/385103112.db2.gz WAAJBIUTNOAJEO-AWEZNQCLSA-N 1 0 247.386 3.369 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(NC)cc1C ZINC000072219058 259530538 /nfs/dbraw/zinc/53/05/38/259530538.db2.gz IDJAYFZWBHLWGA-CQSZACIVSA-N 1 0 247.386 3.369 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(NC)cc1C ZINC000072219059 385104190 /nfs/dbraw/zinc/10/41/90/385104190.db2.gz IDJAYFZWBHLWGA-AWEZNQCLSA-N 1 0 247.386 3.369 40 0 BGABRO CNc1cc(C)c([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072219060 385105000 /nfs/dbraw/zinc/10/50/00/385105000.db2.gz VQWQLETWAQZXDJ-AWEZNQCLSA-N 1 0 247.386 3.367 40 0 BGABRO CNc1cc(C)c([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072219061 259530062 /nfs/dbraw/zinc/53/00/62/259530062.db2.gz VQWQLETWAQZXDJ-CQSZACIVSA-N 1 0 247.386 3.367 40 0 BGABRO CNc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072219103 385103906 /nfs/dbraw/zinc/10/39/06/385103906.db2.gz XNMAULIQIYFIDG-AWEZNQCLSA-N 1 0 247.386 3.225 40 0 BGABRO CNc1ccc([C@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072219104 385103210 /nfs/dbraw/zinc/10/32/10/385103210.db2.gz XNMAULIQIYFIDG-CQSZACIVSA-N 1 0 247.386 3.225 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NC)nc1C ZINC000072219105 385104157 /nfs/dbraw/zinc/10/41/57/385104157.db2.gz LOJLXTZLGUYBDF-CQSZACIVSA-N 1 0 247.386 3.369 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NC)nc1C ZINC000072219106 385105284 /nfs/dbraw/zinc/10/52/84/385105284.db2.gz LOJLXTZLGUYBDF-AWEZNQCLSA-N 1 0 247.386 3.369 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC)nc1C ZINC000072219118 385103187 /nfs/dbraw/zinc/10/31/87/385103187.db2.gz YWOCCQIJXWFXAJ-CQSZACIVSA-N 1 0 247.386 3.369 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NC)nc1C ZINC000072219119 385103871 /nfs/dbraw/zinc/10/38/71/385103871.db2.gz YWOCCQIJXWFXAJ-AWEZNQCLSA-N 1 0 247.386 3.369 40 0 BGABRO CNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)c(C)n1 ZINC000072219120 385104314 /nfs/dbraw/zinc/10/43/14/385104314.db2.gz LQOZDWHPCULICD-AWEZNQCLSA-N 1 0 247.386 3.367 40 0 BGABRO CNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)c(C)n1 ZINC000072219121 385103951 /nfs/dbraw/zinc/10/39/51/385103951.db2.gz LQOZDWHPCULICD-CQSZACIVSA-N 1 0 247.386 3.367 40 0 BGABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)ccn1 ZINC000072219461 385104764 /nfs/dbraw/zinc/10/47/64/385104764.db2.gz OBQJGMZIHTWOGT-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)ccn1 ZINC000072219462 385104589 /nfs/dbraw/zinc/10/45/89/385104589.db2.gz OBQJGMZIHTWOGT-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccnc(C)c1 ZINC000072219463 385105212 /nfs/dbraw/zinc/10/52/12/385105212.db2.gz WLBYDYMIEQATDQ-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccnc(C)c1 ZINC000072219464 385105481 /nfs/dbraw/zinc/10/54/81/385105481.db2.gz WLBYDYMIEQATDQ-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccnc(C)c1 ZINC000072219475 259319125 /nfs/dbraw/zinc/31/91/25/259319125.db2.gz BFEVORPFRKIBNB-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccnc(C)c1 ZINC000072219476 259318675 /nfs/dbraw/zinc/31/86/75/259318675.db2.gz BFEVORPFRKIBNB-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)ccn1 ZINC000072219477 259319019 /nfs/dbraw/zinc/31/90/19/259319019.db2.gz LTPNEPPWIRRZJE-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)ccn1 ZINC000072219478 259318872 /nfs/dbraw/zinc/31/88/72/259318872.db2.gz LTPNEPPWIRRZJE-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cnccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072219517 385105097 /nfs/dbraw/zinc/10/50/97/385105097.db2.gz KCYLTDDVKALJQT-AWEZNQCLSA-N 1 0 218.344 3.183 40 0 BGABRO Cc1cnccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072219518 385104413 /nfs/dbraw/zinc/10/44/13/385104413.db2.gz KCYLTDDVKALJQT-CQSZACIVSA-N 1 0 218.344 3.183 40 0 BGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccncc1C ZINC000072219519 259318630 /nfs/dbraw/zinc/31/86/30/259318630.db2.gz IJFVLLJBJPOMQS-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCCC[N@@H+]1CCC[C@H]1c1ccncc1C ZINC000072219520 259318912 /nfs/dbraw/zinc/31/89/12/259318912.db2.gz IJFVLLJBJPOMQS-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccncc1C ZINC000072219531 385103776 /nfs/dbraw/zinc/10/37/76/385103776.db2.gz FMUBHXGFQURLCJ-CQSZACIVSA-N 1 0 218.344 3.327 40 0 BGABRO CCC[N@@H+]1CCCC[C@H]1c1ccncc1C ZINC000072219532 259530264 /nfs/dbraw/zinc/53/02/64/259530264.db2.gz FMUBHXGFQURLCJ-AWEZNQCLSA-N 1 0 218.344 3.327 40 0 BGABRO Cc1cnccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072219533 385103002 /nfs/dbraw/zinc/10/30/02/385103002.db2.gz VCRQAIRQRKMECY-AWEZNQCLSA-N 1 0 218.344 3.325 40 0 BGABRO Cc1cnccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072219534 385107143 /nfs/dbraw/zinc/10/71/43/385107143.db2.gz VCRQAIRQRKMECY-CQSZACIVSA-N 1 0 218.344 3.325 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219558 385106445 /nfs/dbraw/zinc/10/64/45/385106445.db2.gz JOQMFECGHNJVGC-OAHLLOKOSA-N 1 0 226.323 3.392 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000072219559 385107169 /nfs/dbraw/zinc/10/71/69/385107169.db2.gz JOQMFECGHNJVGC-HNNXBMFYSA-N 1 0 226.323 3.392 40 0 BGABRO C[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219579 385107481 /nfs/dbraw/zinc/10/74/81/385107481.db2.gz XRDXULOLMAXNHJ-OAHLLOKOSA-N 1 0 226.323 3.392 40 0 BGABRO C[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219580 385108269 /nfs/dbraw/zinc/10/82/69/385108269.db2.gz XRDXULOLMAXNHJ-HNNXBMFYSA-N 1 0 226.323 3.392 40 0 BGABRO CCO[C@@H](CC)c1ccc([C@@H](C)C[NH3+])cc1 ZINC000072220217 259318938 /nfs/dbraw/zinc/31/89/38/259318938.db2.gz KSUXQLVXJJYITG-FZMZJTMJSA-N 1 0 221.344 3.236 40 0 BGABRO CCO[C@H](CC)c1ccc([C@@H](C)C[NH3+])cc1 ZINC000072220218 259318869 /nfs/dbraw/zinc/31/88/69/259318869.db2.gz KSUXQLVXJJYITG-SMDDNHRTSA-N 1 0 221.344 3.236 40 0 BGABRO CCO[C@@H](CC)c1ccc([C@H](C)C[NH3+])cc1 ZINC000072220219 259318844 /nfs/dbraw/zinc/31/88/44/259318844.db2.gz KSUXQLVXJJYITG-RISCZKNCSA-N 1 0 221.344 3.236 40 0 BGABRO CCO[C@H](CC)c1ccc([C@H](C)C[NH3+])cc1 ZINC000072220220 259318846 /nfs/dbraw/zinc/31/88/46/259318846.db2.gz KSUXQLVXJJYITG-BXUZGUMPSA-N 1 0 221.344 3.236 40 0 BGABRO CO[C@H](c1ccc([C@@H](C)C[NH3+])cc1)C(C)C ZINC000072220221 259318962 /nfs/dbraw/zinc/31/89/62/259318962.db2.gz DUFQAKKYQWQKLW-FZMZJTMJSA-N 1 0 221.344 3.092 40 0 BGABRO CO[C@@H](c1ccc([C@@H](C)C[NH3+])cc1)C(C)C ZINC000072220222 259319132 /nfs/dbraw/zinc/31/91/32/259319132.db2.gz DUFQAKKYQWQKLW-SMDDNHRTSA-N 1 0 221.344 3.092 40 0 BGABRO CO[C@H](c1ccc([C@H](C)C[NH3+])cc1)C(C)C ZINC000072220223 259318777 /nfs/dbraw/zinc/31/87/77/259318777.db2.gz DUFQAKKYQWQKLW-RISCZKNCSA-N 1 0 221.344 3.092 40 0 BGABRO CO[C@@H](c1ccc([C@H](C)C[NH3+])cc1)C(C)C ZINC000072220224 259318850 /nfs/dbraw/zinc/31/88/50/259318850.db2.gz DUFQAKKYQWQKLW-BXUZGUMPSA-N 1 0 221.344 3.092 40 0 BGABRO CO[C@@H](CC(C)C)c1ccc([C@@H](C)C[NH3+])cc1 ZINC000072220225 259319031 /nfs/dbraw/zinc/31/90/31/259319031.db2.gz OQITVIHBWNYVEV-WFASDCNBSA-N 1 0 235.371 3.482 40 0 BGABRO CO[C@H](CC(C)C)c1ccc([C@@H](C)C[NH3+])cc1 ZINC000072220226 259318876 /nfs/dbraw/zinc/31/88/76/259318876.db2.gz OQITVIHBWNYVEV-SWLSCSKDSA-N 1 0 235.371 3.482 40 0 BGABRO CO[C@@H](CC(C)C)c1ccc([C@H](C)C[NH3+])cc1 ZINC000072220227 259318634 /nfs/dbraw/zinc/31/86/34/259318634.db2.gz OQITVIHBWNYVEV-DOMZBBRYSA-N 1 0 235.371 3.482 40 0 BGABRO CO[C@H](CC(C)C)c1ccc([C@H](C)C[NH3+])cc1 ZINC000072220228 259319033 /nfs/dbraw/zinc/31/90/33/259319033.db2.gz OQITVIHBWNYVEV-IUODEOHRSA-N 1 0 235.371 3.482 40 0 BGABRO Cc1ccc(-c2cc(C3(C[NH3+])CCC3)no2)cc1 ZINC000072220668 259332758 /nfs/dbraw/zinc/33/27/58/259332758.db2.gz NSGLLAYWTHRMGG-UHFFFAOYSA-N 1 0 242.322 3.030 40 0 BGABRO [NH3+]CC1(c2cc(-c3ccccc3)on2)CCCC1 ZINC000072220687 259319570 /nfs/dbraw/zinc/31/95/70/259319570.db2.gz MAYRDMKMXYXWII-UHFFFAOYSA-N 1 0 242.322 3.112 40 0 BGABRO COc1cccc(OC)c1[C@H]1CCC[N@@H+]1C(C)C ZINC000072221419 259320072 /nfs/dbraw/zinc/32/00/72/259320072.db2.gz RHSMEQOEEUFZSP-GFCCVEGCSA-N 1 0 249.354 3.249 40 0 BGABRO COc1cccc(OC)c1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072221420 259320367 /nfs/dbraw/zinc/32/03/67/259320367.db2.gz RHSMEQOEEUFZSP-LBPRGKRZSA-N 1 0 249.354 3.249 40 0 BGABRO CCC[N@@H+]1CCC[C@@H]1c1c(OC)cccc1OC ZINC000072221421 259320266 /nfs/dbraw/zinc/32/02/66/259320266.db2.gz IMXQRLABMNDHPZ-GFCCVEGCSA-N 1 0 249.354 3.251 40 0 BGABRO CCC[N@@H+]1CCC[C@H]1c1c(OC)cccc1OC ZINC000072221422 259319956 /nfs/dbraw/zinc/31/99/56/259319956.db2.gz IMXQRLABMNDHPZ-LBPRGKRZSA-N 1 0 249.354 3.251 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1c(OC)cccc1OC ZINC000072221434 385107420 /nfs/dbraw/zinc/10/74/20/385107420.db2.gz SDRCHANTJBNWBS-GFCCVEGCSA-N 1 0 249.354 3.251 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1c(OC)cccc1OC ZINC000072221435 385107732 /nfs/dbraw/zinc/10/77/32/385107732.db2.gz SDRCHANTJBNWBS-LBPRGKRZSA-N 1 0 249.354 3.251 40 0 BGABRO COc1ccccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072221468 259319971 /nfs/dbraw/zinc/31/99/71/259319971.db2.gz AZOOBWXCNDJSCL-CYBMUJFWSA-N 1 0 219.328 3.241 40 0 BGABRO COc1ccccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072221469 259320020 /nfs/dbraw/zinc/32/00/20/259320020.db2.gz AZOOBWXCNDJSCL-ZDUSSCGKSA-N 1 0 219.328 3.241 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000072221475 385107367 /nfs/dbraw/zinc/10/73/67/385107367.db2.gz KGIZGUIGXHRGRR-CYBMUJFWSA-N 1 0 219.328 3.242 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000072221476 259531120 /nfs/dbraw/zinc/53/11/20/259531120.db2.gz KGIZGUIGXHRGRR-ZDUSSCGKSA-N 1 0 219.328 3.242 40 0 BGABRO COc1ccc([C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000072221506 385108151 /nfs/dbraw/zinc/10/81/51/385108151.db2.gz DHCXMHCKFGHPOG-CQSZACIVSA-N 1 0 219.328 3.241 40 0 BGABRO COc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000072221507 385107647 /nfs/dbraw/zinc/10/76/47/385107647.db2.gz DHCXMHCKFGHPOG-AWEZNQCLSA-N 1 0 219.328 3.241 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(OC)cc1 ZINC000072221511 385108336 /nfs/dbraw/zinc/10/83/36/385108336.db2.gz ZLZOIGJQRPFQBR-CQSZACIVSA-N 1 0 219.328 3.242 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(OC)cc1 ZINC000072221512 385106409 /nfs/dbraw/zinc/10/64/09/385106409.db2.gz ZLZOIGJQRPFQBR-AWEZNQCLSA-N 1 0 219.328 3.242 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000072221563 343424953 /nfs/dbraw/zinc/42/49/53/343424953.db2.gz GHMFLMLYUNSWQU-GFCCVEGCSA-N 1 0 207.317 3.463 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000072221564 344514756 /nfs/dbraw/zinc/51/47/56/344514756.db2.gz GHMFLMLYUNSWQU-LBPRGKRZSA-N 1 0 207.317 3.463 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccoc1 ZINC000072221618 259319986 /nfs/dbraw/zinc/31/99/86/259319986.db2.gz VLYGZCSUHAPJBZ-CYBMUJFWSA-N 1 0 207.317 3.463 40 0 BGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccoc1 ZINC000072221619 259320193 /nfs/dbraw/zinc/32/01/93/259320193.db2.gz VLYGZCSUHAPJBZ-ZDUSSCGKSA-N 1 0 207.317 3.463 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221723 385110255 /nfs/dbraw/zinc/11/02/55/385110255.db2.gz LKOXCBQHBNTILY-CQSZACIVSA-N 1 0 214.312 3.325 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221724 385110724 /nfs/dbraw/zinc/11/07/24/385110724.db2.gz LKOXCBQHBNTILY-AWEZNQCLSA-N 1 0 214.312 3.325 40 0 BGABRO C[N@@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221746 173006946 /nfs/dbraw/zinc/00/69/46/173006946.db2.gz VSYKYXKEUNAWQZ-CQSZACIVSA-N 1 0 214.312 3.325 40 0 BGABRO C[N@@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221747 173010591 /nfs/dbraw/zinc/01/05/91/173010591.db2.gz VSYKYXKEUNAWQZ-AWEZNQCLSA-N 1 0 214.312 3.325 40 0 BGABRO CC[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221778 385109877 /nfs/dbraw/zinc/10/98/77/385109877.db2.gz RLIJRNJCQIWQLI-OAHLLOKOSA-N 1 0 226.323 3.392 40 0 BGABRO CC[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000072221779 259531178 /nfs/dbraw/zinc/53/11/78/259531178.db2.gz RLIJRNJCQIWQLI-HNNXBMFYSA-N 1 0 226.323 3.392 40 0 BGABRO c1cnc2ccc(C3=[NH+]CCCC3)cc2c1 ZINC000072221798 385109574 /nfs/dbraw/zinc/10/95/74/385109574.db2.gz MVGFUOCEEVKWCD-UHFFFAOYSA-N 1 0 210.280 3.208 40 0 BGABRO c1cnc2ccc([C@@H]3CCCC[NH2+]3)cc2c1 ZINC000072221799 183487393 /nfs/dbraw/zinc/48/73/93/183487393.db2.gz AAWXBYCRTQAXIM-ZDUSSCGKSA-N 1 0 212.296 3.049 40 0 BGABRO c1cnc2ccc([C@H]3CCCC[NH2+]3)cc2c1 ZINC000072221800 385110399 /nfs/dbraw/zinc/11/03/99/385110399.db2.gz AAWXBYCRTQAXIM-CYBMUJFWSA-N 1 0 212.296 3.049 40 0 BGABRO C[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221801 259319988 /nfs/dbraw/zinc/31/99/88/259319988.db2.gz FJBYZMHOHMQEMD-OAHLLOKOSA-N 1 0 226.323 3.392 40 0 BGABRO C[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000072221802 259319984 /nfs/dbraw/zinc/31/99/84/259319984.db2.gz FJBYZMHOHMQEMD-HNNXBMFYSA-N 1 0 226.323 3.392 40 0 BGABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000072221838 259319963 /nfs/dbraw/zinc/31/99/63/259319963.db2.gz HTZGTEJSSXBBCJ-CYBMUJFWSA-N 1 0 207.292 3.371 40 0 BGABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000072221839 259320058 /nfs/dbraw/zinc/32/00/58/259320058.db2.gz HTZGTEJSSXBBCJ-ZDUSSCGKSA-N 1 0 207.292 3.371 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221844 535493662 /nfs/dbraw/zinc/49/36/62/535493662.db2.gz ANSDTZCZUKKBTF-CYBMUJFWSA-N 1 0 207.292 3.373 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221845 135031532 /nfs/dbraw/zinc/03/15/32/135031532.db2.gz ANSDTZCZUKKBTF-ZDUSSCGKSA-N 1 0 207.292 3.373 40 0 BGABRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000072221876 385109996 /nfs/dbraw/zinc/10/99/96/385109996.db2.gz USXYTEPDDNZFGM-CQSZACIVSA-N 1 0 249.354 3.249 40 0 BGABRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000072221877 385111202 /nfs/dbraw/zinc/11/12/02/385111202.db2.gz USXYTEPDDNZFGM-AWEZNQCLSA-N 1 0 249.354 3.249 40 0 BGABRO CC[N@@H+]1CCCC[C@@H]1c1cc(OC)ccc1OC ZINC000072221881 385110784 /nfs/dbraw/zinc/11/07/84/385110784.db2.gz KLIGNRNNJVCJCN-CQSZACIVSA-N 1 0 249.354 3.251 40 0 BGABRO CC[N@@H+]1CCCC[C@H]1c1cc(OC)ccc1OC ZINC000072221882 385109508 /nfs/dbraw/zinc/10/95/08/385109508.db2.gz KLIGNRNNJVCJCN-AWEZNQCLSA-N 1 0 249.354 3.251 40 0 BGABRO CSc1ncc([C@H]([NH3+])c2ccccc2)cc1C ZINC000072222000 259320011 /nfs/dbraw/zinc/32/00/11/259320011.db2.gz GIEXJTOYFJPEAQ-CYBMUJFWSA-N 1 0 244.363 3.160 40 0 BGABRO CSc1ncc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000072222001 259320082 /nfs/dbraw/zinc/32/00/82/259320082.db2.gz GIEXJTOYFJPEAQ-ZDUSSCGKSA-N 1 0 244.363 3.160 40 0 BGABRO Cc1cc([C@@H](C)[NH3+])cnc1Oc1ccccc1 ZINC000072222124 385109690 /nfs/dbraw/zinc/10/96/90/385109690.db2.gz BKJPIJXUJPEYLO-LLVKDONJSA-N 1 0 228.295 3.202 40 0 BGABRO Cc1cc([C@H](C)[NH3+])cnc1Oc1ccccc1 ZINC000072222125 385109152 /nfs/dbraw/zinc/10/91/52/385109152.db2.gz BKJPIJXUJPEYLO-NSHDSACASA-N 1 0 228.295 3.202 40 0 BGABRO C[NH2+]Cc1cnc(Sc2ccccc2)c(C)c1 ZINC000072222157 259320312 /nfs/dbraw/zinc/32/03/12/259320312.db2.gz CPJZOHCKJLXKCO-UHFFFAOYSA-N 1 0 244.363 3.261 40 0 BGABRO CCCN(CCC)c1ncc([C@@H](C)[NH3+])cc1C ZINC000072222254 259531018 /nfs/dbraw/zinc/53/10/18/259531018.db2.gz MTOHTNBFXBTITF-GFCCVEGCSA-N 1 0 235.375 3.036 40 0 BGABRO CCCN(CCC)c1ncc([C@H](C)[NH3+])cc1C ZINC000072222255 385110519 /nfs/dbraw/zinc/11/05/19/385110519.db2.gz MTOHTNBFXBTITF-LBPRGKRZSA-N 1 0 235.375 3.036 40 0 BGABRO CCCN(CCC)c1ncc([C@H]([NH3+])CC)cc1C ZINC000072222256 385109783 /nfs/dbraw/zinc/10/97/83/385109783.db2.gz CCXRGGGNVVXZEB-CQSZACIVSA-N 1 0 249.402 3.426 40 0 BGABRO CCCN(CCC)c1ncc([C@@H]([NH3+])CC)cc1C ZINC000072222257 259530930 /nfs/dbraw/zinc/53/09/30/259530930.db2.gz CCXRGGGNVVXZEB-AWEZNQCLSA-N 1 0 249.402 3.426 40 0 BGABRO Cc1cc([C@@H](C)[NH3+])cnc1Nc1ccccc1 ZINC000072222281 259530982 /nfs/dbraw/zinc/53/09/82/259530982.db2.gz APBKPMJCFKHPCF-LLVKDONJSA-N 1 0 227.311 3.153 40 0 BGABRO Cc1cc([C@H](C)[NH3+])cnc1Nc1ccccc1 ZINC000072222282 259531024 /nfs/dbraw/zinc/53/10/24/259531024.db2.gz APBKPMJCFKHPCF-NSHDSACASA-N 1 0 227.311 3.153 40 0 BGABRO Cc1cc([C@@H](C)[NH3+])cnc1N(C)c1ccccc1 ZINC000072222308 385111060 /nfs/dbraw/zinc/11/10/60/385111060.db2.gz JEPYVWYJMDRUKP-GFCCVEGCSA-N 1 0 241.338 3.178 40 0 BGABRO Cc1cc([C@H](C)[NH3+])cnc1N(C)c1ccccc1 ZINC000072222309 259530871 /nfs/dbraw/zinc/53/08/71/259530871.db2.gz JEPYVWYJMDRUKP-LBPRGKRZSA-N 1 0 241.338 3.178 40 0 BGABRO Cc1cc([C@@H](C)[NH3+])cnc1NCc1ccccc1 ZINC000072222335 385110354 /nfs/dbraw/zinc/11/03/54/385110354.db2.gz CPVCAOGVYZHNMC-GFCCVEGCSA-N 1 0 241.338 3.022 40 0 BGABRO Cc1cc([C@H](C)[NH3+])cnc1NCc1ccccc1 ZINC000072222336 385111260 /nfs/dbraw/zinc/11/12/60/385111260.db2.gz CPVCAOGVYZHNMC-LBPRGKRZSA-N 1 0 241.338 3.022 40 0 BGABRO Cc1cc(C[NH3+])cnc1SCc1ccccc1 ZINC000072222405 385109461 /nfs/dbraw/zinc/10/94/61/385109461.db2.gz VJUYLDYHOGKKGM-UHFFFAOYSA-N 1 0 244.363 3.141 40 0 BGABRO CC[C@H]([NH3+])c1cnc(N2CCCCCC2)c(C)c1 ZINC000072222492 385109385 /nfs/dbraw/zinc/10/93/85/385109385.db2.gz URWJXJLWFYADOL-AWEZNQCLSA-N 1 0 247.386 3.180 40 0 BGABRO CC[C@@H]([NH3+])c1cnc(N2CCCCCC2)c(C)c1 ZINC000072222493 385111157 /nfs/dbraw/zinc/11/11/57/385111157.db2.gz URWJXJLWFYADOL-CQSZACIVSA-N 1 0 247.386 3.180 40 0 BGABRO Cc1cc(C[NH3+])cnc1SC1CCCCC1 ZINC000072222788 259320795 /nfs/dbraw/zinc/32/07/95/259320795.db2.gz MBCOXOQJQSNACZ-UHFFFAOYSA-N 1 0 236.384 3.274 40 0 BGABRO Cc1cc([C@@H](C)[NH3+])cnc1SC(C)(C)C ZINC000072222824 259320838 /nfs/dbraw/zinc/32/08/38/259320838.db2.gz BYEUHNQWAXWIIQ-SECBINFHSA-N 1 0 224.373 3.300 40 0 BGABRO Cc1cc([C@H](C)[NH3+])cnc1SC(C)(C)C ZINC000072222825 259320918 /nfs/dbraw/zinc/32/09/18/259320918.db2.gz BYEUHNQWAXWIIQ-VIFPVBQESA-N 1 0 224.373 3.300 40 0 BGABRO C[NH2+]Cc1cnc(SC(C)(C)C)c(C)c1 ZINC000072222831 259320698 /nfs/dbraw/zinc/32/06/98/259320698.db2.gz GMWOEKHEZWWXFW-UHFFFAOYSA-N 1 0 224.373 3.000 40 0 BGABRO CC[C@H]([NH3+])c1cnc(NC(C)(C)C)c(C)c1 ZINC000072222934 259320924 /nfs/dbraw/zinc/32/09/24/259320924.db2.gz XRWFPXTUXSGCSI-NSHDSACASA-N 1 0 221.348 3.010 40 0 BGABRO CC[C@@H]([NH3+])c1cnc(NC(C)(C)C)c(C)c1 ZINC000072222935 259320565 /nfs/dbraw/zinc/32/05/65/259320565.db2.gz XRWFPXTUXSGCSI-LLVKDONJSA-N 1 0 221.348 3.010 40 0 BGABRO CSc1cc(C)c([C@H]([NH3+])c2ccccc2)cn1 ZINC000072223039 259320914 /nfs/dbraw/zinc/32/09/14/259320914.db2.gz PEEFAADMONFDRF-CQSZACIVSA-N 1 0 244.363 3.160 40 0 BGABRO CSc1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072223040 259320678 /nfs/dbraw/zinc/32/06/78/259320678.db2.gz PEEFAADMONFDRF-AWEZNQCLSA-N 1 0 244.363 3.160 40 0 BGABRO Cc1cc(Oc2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223160 259531787 /nfs/dbraw/zinc/53/17/87/259531787.db2.gz GUBYIMZPYSPHFY-LLVKDONJSA-N 1 0 228.295 3.202 40 0 BGABRO Cc1cc(Oc2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223161 385112674 /nfs/dbraw/zinc/11/26/74/385112674.db2.gz GUBYIMZPYSPHFY-NSHDSACASA-N 1 0 228.295 3.202 40 0 BGABRO C[NH2+]Cc1cnc(Sc2ccccc2)cc1C ZINC000072223193 259320817 /nfs/dbraw/zinc/32/08/17/259320817.db2.gz UASLIABEPTUWEH-UHFFFAOYSA-N 1 0 244.363 3.261 40 0 BGABRO CCCN(CCC)c1cc(C)c([C@@H](C)O)cn1 ZINC000072223287 385113860 /nfs/dbraw/zinc/11/38/60/385113860.db2.gz PYLAUWMHKNCHIA-GFCCVEGCSA-N 1 0 236.359 3.070 40 0 BGABRO CCCN(CCC)c1cc(C)c([C@H](C)O)cn1 ZINC000072223288 385113281 /nfs/dbraw/zinc/11/32/81/385113281.db2.gz PYLAUWMHKNCHIA-LBPRGKRZSA-N 1 0 236.359 3.070 40 0 BGABRO CCCN(CCC)c1cc(C)c([C@@H](C)[NH3+])cn1 ZINC000072223293 259531695 /nfs/dbraw/zinc/53/16/95/259531695.db2.gz IOUZHKXSJNQLKF-GFCCVEGCSA-N 1 0 235.375 3.036 40 0 BGABRO CCCN(CCC)c1cc(C)c([C@H](C)[NH3+])cn1 ZINC000072223294 385112179 /nfs/dbraw/zinc/11/21/79/385112179.db2.gz IOUZHKXSJNQLKF-LBPRGKRZSA-N 1 0 235.375 3.036 40 0 BGABRO CCCN(CCC)c1cc(C)c([C@H]([NH3+])CC)cn1 ZINC000072223295 385113677 /nfs/dbraw/zinc/11/36/77/385113677.db2.gz AWYGKQUWLZJLKR-CQSZACIVSA-N 1 0 249.402 3.426 40 0 BGABRO CCCN(CCC)c1cc(C)c([C@@H]([NH3+])CC)cn1 ZINC000072223296 385112935 /nfs/dbraw/zinc/11/29/35/385112935.db2.gz AWYGKQUWLZJLKR-AWEZNQCLSA-N 1 0 249.402 3.426 40 0 BGABRO Cc1cc(Nc2ccccc2)ncc1[C@@H](C)O ZINC000072223314 385113112 /nfs/dbraw/zinc/11/31/12/385113112.db2.gz UWPYMLQIFGHZCK-LLVKDONJSA-N 1 0 228.295 3.187 40 0 BGABRO Cc1cc(Nc2ccccc2)ncc1[C@H](C)O ZINC000072223315 385112988 /nfs/dbraw/zinc/11/29/88/385112988.db2.gz UWPYMLQIFGHZCK-NSHDSACASA-N 1 0 228.295 3.187 40 0 BGABRO Cc1cc(Nc2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223320 385112368 /nfs/dbraw/zinc/11/23/68/385112368.db2.gz FCCHWOHXYAAZFG-LLVKDONJSA-N 1 0 227.311 3.153 40 0 BGABRO Cc1cc(Nc2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223321 385112612 /nfs/dbraw/zinc/11/26/12/385112612.db2.gz FCCHWOHXYAAZFG-NSHDSACASA-N 1 0 227.311 3.153 40 0 BGABRO Cc1cc(N(C)c2ccccc2)ncc1[C@@H](C)O ZINC000072223341 385113233 /nfs/dbraw/zinc/11/32/33/385113233.db2.gz ASCJNLHSQYLRGA-GFCCVEGCSA-N 1 0 242.322 3.211 40 0 BGABRO Cc1cc(N(C)c2ccccc2)ncc1[C@H](C)O ZINC000072223342 385113736 /nfs/dbraw/zinc/11/37/36/385113736.db2.gz ASCJNLHSQYLRGA-LBPRGKRZSA-N 1 0 242.322 3.211 40 0 BGABRO Cc1cc(N(C)c2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223347 385112807 /nfs/dbraw/zinc/11/28/07/385112807.db2.gz SQAVCJWPOOWQQU-GFCCVEGCSA-N 1 0 241.338 3.178 40 0 BGABRO Cc1cc(N(C)c2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223348 259531775 /nfs/dbraw/zinc/53/17/75/259531775.db2.gz SQAVCJWPOOWQQU-LBPRGKRZSA-N 1 0 241.338 3.178 40 0 BGABRO Cc1cc(NCc2ccccc2)ncc1[C@@H](C)O ZINC000072223368 385112469 /nfs/dbraw/zinc/11/24/69/385112469.db2.gz YGYVLBWMHJYWDY-GFCCVEGCSA-N 1 0 242.322 3.055 40 0 BGABRO Cc1cc(NCc2ccccc2)ncc1[C@H](C)O ZINC000072223369 385113804 /nfs/dbraw/zinc/11/38/04/385113804.db2.gz YGYVLBWMHJYWDY-LBPRGKRZSA-N 1 0 242.322 3.055 40 0 BGABRO Cc1cc(NCc2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223374 385112349 /nfs/dbraw/zinc/11/23/49/385112349.db2.gz GJPGQDJHAKSJNM-GFCCVEGCSA-N 1 0 241.338 3.022 40 0 BGABRO Cc1cc(NCc2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223375 385112397 /nfs/dbraw/zinc/11/23/97/385112397.db2.gz GJPGQDJHAKSJNM-LBPRGKRZSA-N 1 0 241.338 3.022 40 0 BGABRO Cc1cc(SCc2ccccc2)ncc1C[NH3+] ZINC000072223444 259321608 /nfs/dbraw/zinc/32/16/08/259321608.db2.gz NMTBLNQHHROUBE-UHFFFAOYSA-N 1 0 244.363 3.141 40 0 BGABRO C=Cc1cnc(N2CCCCC2)cc1C ZINC000072223509 385113338 /nfs/dbraw/zinc/11/33/38/385113338.db2.gz MRMRDNRWIDVXAY-UHFFFAOYSA-N 1 0 202.301 3.023 40 0 BGABRO CCC(=O)c1cnc(N2CCCCCC2)cc1C ZINC000072223522 385113212 /nfs/dbraw/zinc/11/32/12/385113212.db2.gz QYEWJJBGNXIPOU-UHFFFAOYSA-N 1 0 246.354 3.363 40 0 BGABRO CC[C@H](O)c1cnc(N2CCCCCC2)cc1C ZINC000072223526 385112982 /nfs/dbraw/zinc/11/29/82/385112982.db2.gz MTOJWMPOKAIDAP-AWEZNQCLSA-N 1 0 248.370 3.214 40 0 BGABRO CC[C@@H](O)c1cnc(N2CCCCCC2)cc1C ZINC000072223527 385112409 /nfs/dbraw/zinc/11/24/09/385112409.db2.gz MTOJWMPOKAIDAP-CQSZACIVSA-N 1 0 248.370 3.214 40 0 BGABRO CC[C@H]([NH3+])c1cnc(N2CCCCCC2)cc1C ZINC000072223532 259532450 /nfs/dbraw/zinc/53/24/50/259532450.db2.gz KULAJEIKFXYWIF-AWEZNQCLSA-N 1 0 247.386 3.180 40 0 BGABRO CC[C@@H]([NH3+])c1cnc(N2CCCCCC2)cc1C ZINC000072223533 385112527 /nfs/dbraw/zinc/11/25/27/385112527.db2.gz KULAJEIKFXYWIF-CQSZACIVSA-N 1 0 247.386 3.180 40 0 BGABRO Cc1cc(SC2CCCCC2)ncc1C[NH3+] ZINC000072223832 259321458 /nfs/dbraw/zinc/32/14/58/259321458.db2.gz STJVOLZHWCOHSS-UHFFFAOYSA-N 1 0 236.384 3.274 40 0 BGABRO Cc1cc(SC(C)(C)C)ncc1[C@@H](C)[NH3+] ZINC000072223868 259321518 /nfs/dbraw/zinc/32/15/18/259321518.db2.gz KHJPFBDNJRUUFX-SECBINFHSA-N 1 0 224.373 3.300 40 0 BGABRO Cc1cc(SC(C)(C)C)ncc1[C@H](C)[NH3+] ZINC000072223869 259321575 /nfs/dbraw/zinc/32/15/75/259321575.db2.gz KHJPFBDNJRUUFX-VIFPVBQESA-N 1 0 224.373 3.300 40 0 BGABRO C[NH2+]Cc1cnc(SC(C)(C)C)cc1C ZINC000072223875 259321587 /nfs/dbraw/zinc/32/15/87/259321587.db2.gz GPDTVHIJAGAFPK-UHFFFAOYSA-N 1 0 224.373 3.000 40 0 BGABRO CC[C@@H](O)c1cnc(NC(C)(C)C)cc1C ZINC000072223973 385115220 /nfs/dbraw/zinc/11/52/20/385115220.db2.gz LGUGDIWKFAJMCQ-LLVKDONJSA-N 1 0 222.332 3.044 40 0 BGABRO CC[C@H]([NH3+])c1cnc(NC(C)(C)C)cc1C ZINC000072223978 385115486 /nfs/dbraw/zinc/11/54/86/385115486.db2.gz RYNZXGBMPPCNGV-NSHDSACASA-N 1 0 221.348 3.010 40 0 BGABRO CC[C@@H]([NH3+])c1cnc(NC(C)(C)C)cc1C ZINC000072223979 385116118 /nfs/dbraw/zinc/11/61/18/385116118.db2.gz RYNZXGBMPPCNGV-LLVKDONJSA-N 1 0 221.348 3.010 40 0 BGABRO Cc1nc(Oc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224203 385115687 /nfs/dbraw/zinc/11/56/87/385115687.db2.gz MDQCEVVHHUGHTJ-SNVBAGLBSA-N 1 0 228.295 3.202 40 0 BGABRO Cc1nc(Oc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224204 385115619 /nfs/dbraw/zinc/11/56/19/385115619.db2.gz MDQCEVVHHUGHTJ-JTQLQIEISA-N 1 0 228.295 3.202 40 0 BGABRO C[NH2+]Cc1ccc(Sc2ccccc2)nc1C ZINC000072224236 259321673 /nfs/dbraw/zinc/32/16/73/259321673.db2.gz LQWQSLBKFVGSGN-UHFFFAOYSA-N 1 0 244.363 3.261 40 0 BGABRO CCCN(CCC)c1ccc([C@@H](C)[NH3+])c(C)n1 ZINC000072224335 385115578 /nfs/dbraw/zinc/11/55/78/385115578.db2.gz MYQPJLMQNMYZAC-LLVKDONJSA-N 1 0 235.375 3.036 40 0 BGABRO CCCN(CCC)c1ccc([C@H](C)[NH3+])c(C)n1 ZINC000072224336 385116683 /nfs/dbraw/zinc/11/66/83/385116683.db2.gz MYQPJLMQNMYZAC-NSHDSACASA-N 1 0 235.375 3.036 40 0 BGABRO CCCN(CCC)c1ccc([C@H]([NH3+])CC)c(C)n1 ZINC000072224337 259532298 /nfs/dbraw/zinc/53/22/98/259532298.db2.gz DZELIPXEOIOCOE-CQSZACIVSA-N 1 0 249.402 3.426 40 0 BGABRO CCCN(CCC)c1ccc([C@@H]([NH3+])CC)c(C)n1 ZINC000072224338 259532282 /nfs/dbraw/zinc/53/22/82/259532282.db2.gz DZELIPXEOIOCOE-AWEZNQCLSA-N 1 0 249.402 3.426 40 0 BGABRO Cc1nc(Nc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224362 259532443 /nfs/dbraw/zinc/53/24/43/259532443.db2.gz YYLLKWQMYIVKLP-SNVBAGLBSA-N 1 0 227.311 3.153 40 0 BGABRO Cc1nc(Nc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224363 385119118 /nfs/dbraw/zinc/11/91/18/385119118.db2.gz YYLLKWQMYIVKLP-JTQLQIEISA-N 1 0 227.311 3.153 40 0 BGABRO Cc1nc(N(C)c2ccccc2)ccc1[C@@H](C)O ZINC000072224383 385119425 /nfs/dbraw/zinc/11/94/25/385119425.db2.gz TXWBOFMGOJSTNE-GFCCVEGCSA-N 1 0 242.322 3.211 40 0 BGABRO Cc1nc(N(C)c2ccccc2)ccc1[C@H](C)O ZINC000072224384 385119487 /nfs/dbraw/zinc/11/94/87/385119487.db2.gz TXWBOFMGOJSTNE-LBPRGKRZSA-N 1 0 242.322 3.211 40 0 BGABRO Cc1nc(N(C)c2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224389 385118664 /nfs/dbraw/zinc/11/86/64/385118664.db2.gz ZERKOYGOUXHNBG-LLVKDONJSA-N 1 0 241.338 3.178 40 0 BGABRO Cc1nc(N(C)c2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224390 385118341 /nfs/dbraw/zinc/11/83/41/385118341.db2.gz ZERKOYGOUXHNBG-NSHDSACASA-N 1 0 241.338 3.178 40 0 BGABRO Cc1nc(NCc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224416 385119577 /nfs/dbraw/zinc/11/95/77/385119577.db2.gz BQMLXHYLBCUELG-LLVKDONJSA-N 1 0 241.338 3.022 40 0 BGABRO Cc1nc(NCc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224417 259532188 /nfs/dbraw/zinc/53/21/88/259532188.db2.gz BQMLXHYLBCUELG-NSHDSACASA-N 1 0 241.338 3.022 40 0 BGABRO Cc1nc(SCc2ccccc2)ccc1C[NH3+] ZINC000072224486 385119133 /nfs/dbraw/zinc/11/91/33/385119133.db2.gz RRSFGVNPOZKOCZ-UHFFFAOYSA-N 1 0 244.363 3.141 40 0 BGABRO CC[C@H]([NH3+])c1ccc(N2CCCCCC2)nc1C ZINC000072224579 385119937 /nfs/dbraw/zinc/11/99/37/385119937.db2.gz RHCUSGKNVUANDY-AWEZNQCLSA-N 1 0 247.386 3.180 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(N2CCCCCC2)nc1C ZINC000072224580 385120124 /nfs/dbraw/zinc/12/01/24/385120124.db2.gz RHCUSGKNVUANDY-CQSZACIVSA-N 1 0 247.386 3.180 40 0 BGABRO Cc1nc(SC2CCCCC2)ccc1C[NH3+] ZINC000072224874 259321879 /nfs/dbraw/zinc/32/18/79/259321879.db2.gz HMUYLQPNSHWNPE-UHFFFAOYSA-N 1 0 236.384 3.274 40 0 BGABRO Cc1nc(SC(C)(C)C)ccc1[C@@H](C)[NH3+] ZINC000072224910 259321834 /nfs/dbraw/zinc/32/18/34/259321834.db2.gz HUQFFDBUBBNXPJ-MRVPVSSYSA-N 1 0 224.373 3.300 40 0 BGABRO Cc1nc(SC(C)(C)C)ccc1[C@H](C)[NH3+] ZINC000072224911 259321779 /nfs/dbraw/zinc/32/17/79/259321779.db2.gz HUQFFDBUBBNXPJ-QMMMGPOBSA-N 1 0 224.373 3.300 40 0 BGABRO C[NH2+]Cc1ccc(SC(C)(C)C)nc1C ZINC000072224917 259321918 /nfs/dbraw/zinc/32/19/18/259321918.db2.gz NNCYXLAJFWCRQY-UHFFFAOYSA-N 1 0 224.373 3.000 40 0 BGABRO CCC(=O)c1ccc(NC(C)(C)C)nc1C ZINC000072225010 385123027 /nfs/dbraw/zinc/12/30/27/385123027.db2.gz HNSJQEWKJCZZTL-UHFFFAOYSA-N 1 0 220.316 3.193 40 0 BGABRO CC[C@H]([NH3+])c1ccc(NC(C)(C)C)nc1C ZINC000072225020 259321768 /nfs/dbraw/zinc/32/17/68/259321768.db2.gz BPUJITBRBKFTTD-NSHDSACASA-N 1 0 221.348 3.010 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(NC(C)(C)C)nc1C ZINC000072225021 259322082 /nfs/dbraw/zinc/32/20/82/259322082.db2.gz BPUJITBRBKFTTD-LLVKDONJSA-N 1 0 221.348 3.010 40 0 BGABRO CC[C@H]([NH3+])c1ccc(Oc2ccccc2)nc1 ZINC000072225185 385121954 /nfs/dbraw/zinc/12/19/54/385121954.db2.gz UOQLOMYEWKTPEK-ZDUSSCGKSA-N 1 0 228.295 3.284 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(Oc2ccccc2)nc1 ZINC000072225186 385122206 /nfs/dbraw/zinc/12/22/06/385122206.db2.gz UOQLOMYEWKTPEK-CYBMUJFWSA-N 1 0 228.295 3.284 40 0 BGABRO C[C@H]([NH3+])c1ccc(Sc2ccccc2)nc1 ZINC000072225202 385121824 /nfs/dbraw/zinc/12/18/24/385121824.db2.gz WJFJFNWGIXQRPF-JTQLQIEISA-N 1 0 230.336 3.253 40 0 BGABRO C[C@@H]([NH3+])c1ccc(Sc2ccccc2)nc1 ZINC000072225203 259533040 /nfs/dbraw/zinc/53/30/40/259533040.db2.gz WJFJFNWGIXQRPF-SNVBAGLBSA-N 1 0 230.336 3.253 40 0 BGABRO CCCN(CCC)c1ccc([C@H]([NH3+])CC)cn1 ZINC000072225285 259533183 /nfs/dbraw/zinc/53/31/83/259533183.db2.gz UEQKIPPYHZIMHH-CYBMUJFWSA-N 1 0 235.375 3.118 40 0 BGABRO CCCN(CCC)c1ccc([C@@H]([NH3+])CC)cn1 ZINC000072225286 259533227 /nfs/dbraw/zinc/53/32/27/259533227.db2.gz UEQKIPPYHZIMHH-ZDUSSCGKSA-N 1 0 235.375 3.118 40 0 BGABRO CC[C@H]([NH3+])c1ccc(Nc2ccccc2)nc1 ZINC000072225308 259533232 /nfs/dbraw/zinc/53/32/32/259533232.db2.gz YBVFCFGJGPTSSS-ZDUSSCGKSA-N 1 0 227.311 3.235 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(Nc2ccccc2)nc1 ZINC000072225309 259532838 /nfs/dbraw/zinc/53/28/38/259532838.db2.gz YBVFCFGJGPTSSS-CYBMUJFWSA-N 1 0 227.311 3.235 40 0 BGABRO CC[C@H]([NH3+])c1ccc(N(C)c2ccccc2)nc1 ZINC000072225330 385109158 /nfs/dbraw/zinc/10/91/58/385109158.db2.gz YYKPOZWKDTWQER-AWEZNQCLSA-N 1 0 241.338 3.259 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(N(C)c2ccccc2)nc1 ZINC000072225331 385109232 /nfs/dbraw/zinc/10/92/32/385109232.db2.gz YYKPOZWKDTWQER-CQSZACIVSA-N 1 0 241.338 3.259 40 0 BGABRO CC[C@H](O)c1ccc(NCc2ccccc2)nc1 ZINC000072225347 385112404 /nfs/dbraw/zinc/11/24/04/385112404.db2.gz UWCGXCIXPGXMAQ-AWEZNQCLSA-N 1 0 242.322 3.137 40 0 BGABRO CC[C@@H](O)c1ccc(NCc2ccccc2)nc1 ZINC000072225348 385113955 /nfs/dbraw/zinc/11/39/55/385113955.db2.gz UWCGXCIXPGXMAQ-CQSZACIVSA-N 1 0 242.322 3.137 40 0 BGABRO CC[C@H]([NH3+])c1ccc(NCc2ccccc2)nc1 ZINC000072225353 385112450 /nfs/dbraw/zinc/11/24/50/385112450.db2.gz QDVDQFXEIQGRRM-AWEZNQCLSA-N 1 0 241.338 3.104 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(NCc2ccccc2)nc1 ZINC000072225354 385112870 /nfs/dbraw/zinc/11/28/70/385112870.db2.gz QDVDQFXEIQGRRM-CQSZACIVSA-N 1 0 241.338 3.104 40 0 BGABRO C=Cc1ccc(NCc2ccccc2)nc1 ZINC000072225357 385113172 /nfs/dbraw/zinc/11/31/72/385113172.db2.gz ACPFOBOMGLTLNJ-UHFFFAOYSA-N 1 0 210.280 3.337 40 0 BGABRO CC[C@H]([NH3+])c1ccc(OCc2ccccc2)nc1 ZINC000072225395 259532826 /nfs/dbraw/zinc/53/28/26/259532826.db2.gz VFZSLGOXZGBATD-AWEZNQCLSA-N 1 0 242.322 3.070 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(OCc2ccccc2)nc1 ZINC000072225396 385116890 /nfs/dbraw/zinc/11/68/90/385116890.db2.gz VFZSLGOXZGBATD-CQSZACIVSA-N 1 0 242.322 3.070 40 0 BGABRO C[C@H]([NH3+])c1ccc(SCc2ccccc2)nc1 ZINC000072225414 385119407 /nfs/dbraw/zinc/11/94/07/385119407.db2.gz ADCLTICBXRPQBO-NSHDSACASA-N 1 0 244.363 3.394 40 0 BGABRO C[C@@H]([NH3+])c1ccc(SCc2ccccc2)nc1 ZINC000072225415 259532889 /nfs/dbraw/zinc/53/28/89/259532889.db2.gz ADCLTICBXRPQBO-LLVKDONJSA-N 1 0 244.363 3.394 40 0 BGABRO C[NH2+]Cc1ccc(SCc2ccccc2)nc1 ZINC000072225421 385119869 /nfs/dbraw/zinc/11/98/69/385119869.db2.gz CWWDUYFUWFKHNB-UHFFFAOYSA-N 1 0 244.363 3.093 40 0 BGABRO C[NH2+]Cc1ccc(SC2CCCCC2)nc1 ZINC000072225732 385125499 /nfs/dbraw/zinc/12/54/99/385125499.db2.gz XGFYURGJVFPUDJ-UHFFFAOYSA-N 1 0 236.384 3.226 40 0 BGABRO CC[C@H]([NH3+])c1ccc(SC(C)(C)C)nc1 ZINC000072225750 384247104 /nfs/dbraw/zinc/24/71/04/384247104.db2.gz KSCUGLOASYTAAN-JTQLQIEISA-N 1 0 224.373 3.382 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(SC(C)(C)C)nc1 ZINC000072225751 385125348 /nfs/dbraw/zinc/12/53/48/385125348.db2.gz KSCUGLOASYTAAN-SNVBAGLBSA-N 1 0 224.373 3.382 40 0 BGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1Cl ZINC000072225870 385125996 /nfs/dbraw/zinc/12/59/96/385125996.db2.gz RNHKMWSEQILYDZ-GFCCVEGCSA-N 1 0 232.714 3.092 40 0 BGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1Cl ZINC000072225871 385126384 /nfs/dbraw/zinc/12/63/84/385126384.db2.gz RNHKMWSEQILYDZ-LBPRGKRZSA-N 1 0 232.714 3.092 40 0 BGABRO Cc1cc(Cl)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072225894 322909011 /nfs/dbraw/zinc/90/90/11/322909011.db2.gz FHEPTUZYSMOORT-ZDUSSCGKSA-N 1 0 232.714 3.092 40 0 BGABRO Cc1nc(Cl)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072225916 385125450 /nfs/dbraw/zinc/12/54/50/385125450.db2.gz YSISGMUNEMIRPR-CYBMUJFWSA-N 1 0 232.714 3.092 40 0 BGABRO Cc1nc(Cl)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072225917 385125251 /nfs/dbraw/zinc/12/52/51/385125251.db2.gz YSISGMUNEMIRPR-ZDUSSCGKSA-N 1 0 232.714 3.092 40 0 BGABRO Cn1nc(-c2cccs2)cc1C[NH2+]C(C)(C)C ZINC000072226268 385125912 /nfs/dbraw/zinc/12/59/12/385125912.db2.gz NCZJLBUMEQDKIS-UHFFFAOYSA-N 1 0 249.383 3.037 40 0 BGABRO CC(C)Oc1cccc(CNc2ccccn2)c1 ZINC000072226344 385125738 /nfs/dbraw/zinc/12/57/38/385125738.db2.gz SXXTWJIORJPNJG-UHFFFAOYSA-N 1 0 242.322 3.481 40 0 BGABRO c1cc2c(cc1C[NH2+]CC1CCC1)CCCC2 ZINC000072226479 183368323 /nfs/dbraw/zinc/36/83/23/183368323.db2.gz IXERZHZAHYGLNH-UHFFFAOYSA-N 1 0 229.367 3.455 40 0 BGABRO CCc1nc(-c2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000072226554 344517066 /nfs/dbraw/zinc/51/70/66/344517066.db2.gz WEYDOZIUTJGVHS-UHFFFAOYSA-N 1 0 244.363 3.018 40 0 BGABRO c1ccc(Cc2cccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000072343729 183411230 /nfs/dbraw/zinc/41/12/30/183411230.db2.gz ISSAMJMVTSOGLQ-HNNXBMFYSA-N 1 0 238.334 3.097 40 0 BGABRO c1ccc(Cc2cccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000072343730 384208534 /nfs/dbraw/zinc/20/85/34/384208534.db2.gz ISSAMJMVTSOGLQ-OAHLLOKOSA-N 1 0 238.334 3.097 40 0 BGABRO c1ccc(Oc2cccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000072343763 188306971 /nfs/dbraw/zinc/30/69/71/188306971.db2.gz SAIWWQDXMSUCCR-ZDUSSCGKSA-N 1 0 240.306 3.298 40 0 BGABRO c1ccc(Oc2cccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000072343764 384208646 /nfs/dbraw/zinc/20/86/46/384208646.db2.gz SAIWWQDXMSUCCR-CYBMUJFWSA-N 1 0 240.306 3.298 40 0 BGABRO c1ccc2c(C[C@@H]3CCC[NH2+]CC3)ccnc2c1 ZINC000072344395 385204538 /nfs/dbraw/zinc/20/45/38/385204538.db2.gz BUMKIAGMSJQPLS-CYBMUJFWSA-N 1 0 240.350 3.167 40 0 BGABRO c1ccc2c(C[C@H]3CCC[NH2+]CC3)ccnc2c1 ZINC000072344396 385205215 /nfs/dbraw/zinc/20/52/15/385205215.db2.gz BUMKIAGMSJQPLS-ZDUSSCGKSA-N 1 0 240.350 3.167 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072344651 384208952 /nfs/dbraw/zinc/20/89/52/384208952.db2.gz SLLPUOJERDGDSO-CQSZACIVSA-N 1 0 243.354 3.498 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072344652 384207256 /nfs/dbraw/zinc/20/72/56/384207256.db2.gz SLLPUOJERDGDSO-AWEZNQCLSA-N 1 0 243.354 3.498 40 0 BGABRO CC(C)[NH+]1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000072348354 188132187 /nfs/dbraw/zinc/13/21/87/188132187.db2.gz LCALWIVUEQSPMP-UHFFFAOYSA-N 1 0 243.354 3.151 40 0 BGABRO CC(C)[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072348355 384210581 /nfs/dbraw/zinc/21/05/81/384210581.db2.gz GAERDCXLZLREEK-ZDUSSCGKSA-N 1 0 243.354 3.151 40 0 BGABRO CC(C)[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072348356 187276255 /nfs/dbraw/zinc/27/62/55/187276255.db2.gz GAERDCXLZLREEK-CYBMUJFWSA-N 1 0 243.354 3.151 40 0 BGABRO c1ccc(C2CC[NH+](C3CCCC3)CC2)nc1 ZINC000072348417 183390319 /nfs/dbraw/zinc/39/03/19/183390319.db2.gz PENGRLUSHSJQDK-UHFFFAOYSA-N 1 0 230.355 3.204 40 0 BGABRO Cc1cc(=O)cc([C@@H]2CCC[N@@H+]2C2CCCC2)[nH]1 ZINC000072348422 178199338 /nfs/dbraw/zinc/19/93/38/178199338.db2.gz WGLBBMIHARHHRG-HNNXBMFYSA-N 1 0 246.354 3.175 40 0 BGABRO Cc1cc(=O)cc([C@H]2CCC[N@@H+]2C2CCCC2)[nH]1 ZINC000072348423 178200024 /nfs/dbraw/zinc/20/00/24/178200024.db2.gz WGLBBMIHARHHRG-OAHLLOKOSA-N 1 0 246.354 3.175 40 0 BGABRO c1cc([C@@H]2CCCC[N@H+]2C2CCCCC2)n[nH]1 ZINC000072348432 183360717 /nfs/dbraw/zinc/36/07/17/183360717.db2.gz PDCBLJLJYSOIAY-AWEZNQCLSA-N 1 0 233.359 3.269 40 0 BGABRO c1cc([C@H]2CCCC[N@H+]2C2CCCCC2)n[nH]1 ZINC000072348433 183362052 /nfs/dbraw/zinc/36/20/52/183362052.db2.gz PDCBLJLJYSOIAY-CQSZACIVSA-N 1 0 233.359 3.269 40 0 BGABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccncc1 ZINC000072367916 384213622 /nfs/dbraw/zinc/21/36/22/384213622.db2.gz BVQUBBQYOMBMIC-LLVKDONJSA-N 1 0 244.363 3.262 40 0 BGABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccncc1 ZINC000072367917 384214890 /nfs/dbraw/zinc/21/48/90/384214890.db2.gz BVQUBBQYOMBMIC-NSHDSACASA-N 1 0 244.363 3.262 40 0 BGABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072381181 384216185 /nfs/dbraw/zinc/21/61/85/384216185.db2.gz JHUVWGJIAIUISN-CYBMUJFWSA-N 1 0 247.386 3.230 40 0 BGABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072381182 384217902 /nfs/dbraw/zinc/21/79/02/384217902.db2.gz JHUVWGJIAIUISN-ZDUSSCGKSA-N 1 0 247.386 3.230 40 0 BGABRO Cc1ccccc1-c1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072386625 179235146 /nfs/dbraw/zinc/23/51/46/179235146.db2.gz HNOMQVYJITZDEX-HNNXBMFYSA-N 1 0 238.334 3.482 40 0 BGABRO Cc1ccccc1-c1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000072386626 179235216 /nfs/dbraw/zinc/23/52/16/179235216.db2.gz HNOMQVYJITZDEX-OAHLLOKOSA-N 1 0 238.334 3.482 40 0 BGABRO Cc1ccnc([C@]2(C)CCC[N@@H+]2C2CCCC2)n1 ZINC000072388355 179469685 /nfs/dbraw/zinc/46/96/85/179469685.db2.gz AIWQRODDCGQPQD-HNNXBMFYSA-N 1 0 245.370 3.039 40 0 BGABRO Cc1ccnc([C@@]2(C)CCC[N@@H+]2C2CCCC2)n1 ZINC000072388356 384218857 /nfs/dbraw/zinc/21/88/57/384218857.db2.gz AIWQRODDCGQPQD-OAHLLOKOSA-N 1 0 245.370 3.039 40 0 BGABRO Cc1cnc2[nH]c(C(C)C)c(C[NH+](C)C)c2c1 ZINC000072395289 384218649 /nfs/dbraw/zinc/21/86/49/384218649.db2.gz VNCZVAJNODHXMQ-UHFFFAOYSA-N 1 0 231.343 3.056 40 0 BGABRO O=C1CCCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000072398416 384221240 /nfs/dbraw/zinc/22/12/40/384221240.db2.gz AYGYFNNXABZJGF-CABCVRRESA-N 1 0 243.350 3.020 40 0 BGABRO O=C1CCCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000072398417 384221360 /nfs/dbraw/zinc/22/13/60/384221360.db2.gz AYGYFNNXABZJGF-GJZGRUSLSA-N 1 0 243.350 3.020 40 0 BGABRO Clc1ccc(C[NH2+]C2CCCCC2)cn1 ZINC000073621899 384023501 /nfs/dbraw/zinc/02/35/01/384023501.db2.gz WVCHRXPVBUPNIL-UHFFFAOYSA-N 1 0 224.735 3.157 40 0 BGABRO Cc1cc2c3c([nH]c2c(C)c1)[C@H]([NH3+])CCC3 ZINC000074116740 259322656 /nfs/dbraw/zinc/32/26/56/259322656.db2.gz QXLAJDRAUJRLFD-GFCCVEGCSA-N 1 0 214.312 3.121 40 0 BGABRO Cc1cc2c3c([nH]c2c(C)c1)[C@@H]([NH3+])CCC3 ZINC000074116741 188307406 /nfs/dbraw/zinc/30/74/06/188307406.db2.gz QXLAJDRAUJRLFD-LBPRGKRZSA-N 1 0 214.312 3.121 40 0 BGABRO CC[C@H]([NH3+])COCc1c(Cl)cccc1Cl ZINC000074496222 487819505 /nfs/dbraw/zinc/81/95/05/487819505.db2.gz QDSOWQSHGBTQKQ-QMMMGPOBSA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@@H]([NH3+])COCc1c(Cl)cccc1Cl ZINC000074496225 487819532 /nfs/dbraw/zinc/81/95/32/487819532.db2.gz QDSOWQSHGBTQKQ-MRVPVSSYSA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@H]([NH3+])COCc1ccc(Cl)cc1Cl ZINC000074496250 487819563 /nfs/dbraw/zinc/81/95/63/487819563.db2.gz LZDRPAKBBIGSKL-JTQLQIEISA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@H]([NH3+])COCc1ccc(Cl)c(Cl)c1 ZINC000074496310 487819380 /nfs/dbraw/zinc/81/93/80/487819380.db2.gz SNOGEBWNAYEONP-VIFPVBQESA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@@H]([NH3+])COCc1ccc(Cl)c(Cl)c1 ZINC000074496313 487819437 /nfs/dbraw/zinc/81/94/37/487819437.db2.gz SNOGEBWNAYEONP-SECBINFHSA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@H]([NH3+])COCc1ccc(C(C)(C)C)cc1 ZINC000074496338 171485458 /nfs/dbraw/zinc/48/54/58/171485458.db2.gz VJPMJWGDWSENGQ-AWEZNQCLSA-N 1 0 235.371 3.238 40 0 BGABRO CC[C@@H]([NH3+])COCc1ccc(C(C)(C)C)cc1 ZINC000074496340 170865677 /nfs/dbraw/zinc/86/56/77/170865677.db2.gz VJPMJWGDWSENGQ-CQSZACIVSA-N 1 0 235.371 3.238 40 0 BGABRO C[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000075603938 491124926 /nfs/dbraw/zinc/12/49/26/491124926.db2.gz NCCPOZCDZIQOCL-LURJTMIESA-N 1 0 204.100 3.056 40 0 BGABRO C[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000075603940 491124951 /nfs/dbraw/zinc/12/49/51/491124951.db2.gz NCCPOZCDZIQOCL-ZCFIWIBFSA-N 1 0 204.100 3.056 40 0 BGABRO CC[NH+](CC)C/C=C(\C)CCCC(C)(C)O ZINC000075629625 384050171 /nfs/dbraw/zinc/05/01/71/384050171.db2.gz FZFAYPSSFRSOKP-JLHYYAGUSA-N 1 0 227.392 3.216 40 0 BGABRO Clc1cccc(C2=CC=CC=C[NH2+]2)c1 ZINC000075629628 384332999 /nfs/dbraw/zinc/33/29/99/384332999.db2.gz XWUBRVZETHNXDK-UHFFFAOYSA-N 1 0 203.672 3.354 40 0 BGABRO [NH3+]CC1(c2ccc(Cl)cc2F)CCCC1 ZINC000075932655 181362697 /nfs/dbraw/zinc/36/26/97/181362697.db2.gz OBOWQEXKPSEDLP-UHFFFAOYSA-N 1 0 227.710 3.250 40 0 BGABRO [NH3+]C1(c2ccccc2C(F)(F)F)CCC1 ZINC000075934063 181335550 /nfs/dbraw/zinc/33/55/50/181335550.db2.gz HPJZZIPRBCMSIO-UHFFFAOYSA-N 1 0 215.218 3.043 40 0 BGABRO CC(C)C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000076287829 167004433 /nfs/dbraw/zinc/00/44/33/167004433.db2.gz IFXZCUYCVLWQPR-UHFFFAOYSA-N 1 0 230.355 3.346 40 0 BGABRO COc1c(C)cccc1C[NH2+]C1CCCC1 ZINC000076647662 388668066 /nfs/dbraw/zinc/66/80/66/388668066.db2.gz SPBRVSBPTJHAHO-UHFFFAOYSA-N 1 0 219.328 3.036 40 0 BGABRO COc1c(C)cccc1C[NH2+]C1CCCCC1 ZINC000076680239 388667870 /nfs/dbraw/zinc/66/78/70/388667870.db2.gz VCFYTBDDSVLAHH-UHFFFAOYSA-N 1 0 233.355 3.426 40 0 BGABRO Cc1ccc(C2(C[NH3+])CC(C)(C)C2)cc1 ZINC000077297602 384704887 /nfs/dbraw/zinc/70/48/87/384704887.db2.gz QUBPSXXCFXMWFN-UHFFFAOYSA-N 1 0 203.329 3.012 40 0 BGABRO CC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000077303377 171241415 /nfs/dbraw/zinc/24/14/15/171241415.db2.gz NXNPGAAZKYDOPW-CQSZACIVSA-N 1 0 231.339 3.052 40 0 in-vitro BGABRO C[C@H]([NH3+])CCc1cc(Cl)cc(Cl)c1 ZINC000077325699 384401497 /nfs/dbraw/zinc/40/14/97/384401497.db2.gz WMWRRLDJRRSOGA-ZETCQYMHSA-N 1 0 218.127 3.273 40 0 BGABRO C[C@@H]([NH3+])CCc1cc(Cl)cc(Cl)c1 ZINC000077325702 384401788 /nfs/dbraw/zinc/40/17/88/384401788.db2.gz WMWRRLDJRRSOGA-SSDOTTSWSA-N 1 0 218.127 3.273 40 0 BGABRO CC1(C)CC(C[NH3+])(c2ccc(Cl)cc2)C1 ZINC000077336406 385406209 /nfs/dbraw/zinc/40/62/09/385406209.db2.gz JVQNFCNGZITMHI-UHFFFAOYSA-N 1 0 223.747 3.357 40 0 BGABRO CC[NH2+][C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078405904 170142227 /nfs/dbraw/zinc/14/22/27/170142227.db2.gz UHIQYIWHHOGTKY-ZDUSSCGKSA-N 1 0 228.339 3.207 40 0 BGABRO CC[NH2+][C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078405906 170160295 /nfs/dbraw/zinc/16/02/95/170160295.db2.gz UHIQYIWHHOGTKY-CYBMUJFWSA-N 1 0 228.339 3.207 40 0 BGABRO CCCCn1ccc([C@@H](C)[NH2+]CCC)c1 ZINC000078405954 169037331 /nfs/dbraw/zinc/03/73/31/169037331.db2.gz KSNUZZRIVYLOHF-GFCCVEGCSA-N 1 0 208.349 3.349 40 0 BGABRO CCCCn1ccc([C@H](C)[NH2+]CCC)c1 ZINC000078405960 169036482 /nfs/dbraw/zinc/03/64/82/169036482.db2.gz KSNUZZRIVYLOHF-LBPRGKRZSA-N 1 0 208.349 3.349 40 0 BGABRO CCCCn1ccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000078406015 169036444 /nfs/dbraw/zinc/03/64/44/169036444.db2.gz VLHAVNKLSCIJDA-GFCCVEGCSA-N 1 0 208.349 3.347 40 0 BGABRO CCCCn1ccc([C@H](C)[NH2+]C(C)C)c1 ZINC000078406019 169036848 /nfs/dbraw/zinc/03/68/48/169036848.db2.gz VLHAVNKLSCIJDA-LBPRGKRZSA-N 1 0 208.349 3.347 40 0 BGABRO CCCC[NH2+][C@@H](C)c1ccn(CCC)c1 ZINC000078406057 384442556 /nfs/dbraw/zinc/44/25/56/384442556.db2.gz YIXBYJDCUINYRI-LBPRGKRZSA-N 1 0 208.349 3.349 40 0 BGABRO CCCC[NH2+][C@H](C)c1ccn(CCC)c1 ZINC000078406061 384443463 /nfs/dbraw/zinc/44/34/63/384443463.db2.gz YIXBYJDCUINYRI-GFCCVEGCSA-N 1 0 208.349 3.349 40 0 BGABRO Fc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1F ZINC000078522809 370571914 /nfs/dbraw/zinc/57/19/14/370571914.db2.gz UQCVZTDYCKMIRN-OAHLLOKOSA-N 1 0 245.272 3.200 40 0 BGABRO Fc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1F ZINC000078522815 370571508 /nfs/dbraw/zinc/57/15/08/370571508.db2.gz UQCVZTDYCKMIRN-HNNXBMFYSA-N 1 0 245.272 3.200 40 0 BGABRO [NH3+]C[C@H](CC(F)(F)F)C1CCCCC1 ZINC000079332328 181443446 /nfs/dbraw/zinc/44/34/46/181443446.db2.gz RPRAIIZAPVMGEH-VIFPVBQESA-N 1 0 209.255 3.094 40 0 BGABRO [NH3+]C[C@@H](CC(F)(F)F)C1CCCCC1 ZINC000079332330 384717262 /nfs/dbraw/zinc/71/72/62/384717262.db2.gz RPRAIIZAPVMGEH-SECBINFHSA-N 1 0 209.255 3.094 40 0 BGABRO CC(C)[N@H+](CCO)[C@@H](C)c1cccc(Cl)c1 ZINC000079421111 384144086 /nfs/dbraw/zinc/14/40/86/384144086.db2.gz SDIVNLDANVZVFX-NSHDSACASA-N 1 0 241.762 3.104 40 0 BGABRO CC(C)[N@H+](CCO)[C@H](C)c1cccc(Cl)c1 ZINC000079421115 384144763 /nfs/dbraw/zinc/14/47/63/384144763.db2.gz SDIVNLDANVZVFX-LLVKDONJSA-N 1 0 241.762 3.104 40 0 BGABRO CC(C)N(CC[NH3+])[C@@H](C)c1cccc(Cl)c1 ZINC000079421205 188118579 /nfs/dbraw/zinc/11/85/79/188118579.db2.gz VDYAPNYBEUJYCT-NSHDSACASA-N 1 0 240.778 3.070 40 0 BGABRO CC(C)N(CC[NH3+])[C@H](C)c1cccc(Cl)c1 ZINC000079421209 187263149 /nfs/dbraw/zinc/26/31/49/187263149.db2.gz VDYAPNYBEUJYCT-LLVKDONJSA-N 1 0 240.778 3.070 40 0 BGABRO Clc1ccc(S[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000079440678 180584947 /nfs/dbraw/zinc/58/49/47/180584947.db2.gz UWYPRJNBNJJNCP-QMMMGPOBSA-N 1 0 248.178 3.447 40 0 BGABRO Fc1ccc([C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000080096462 345897199 /nfs/dbraw/zinc/89/71/99/345897199.db2.gz OKQUJJFTQFKNJZ-OAHLLOKOSA-N 1 0 227.282 3.061 40 0 BGABRO Fc1ccc([C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000080096467 345896984 /nfs/dbraw/zinc/89/69/84/345896984.db2.gz OKQUJJFTQFKNJZ-HNNXBMFYSA-N 1 0 227.282 3.061 40 0 BGABRO CCC[NH+](CCC)Cc1cccc(C=O)c1 ZINC000080814949 169149040 /nfs/dbraw/zinc/14/90/40/169149040.db2.gz RSDYJDXNYLFEFP-UHFFFAOYSA-N 1 0 219.328 3.121 40 0 BGABRO CC[NH2+]Cc1ccc(OCCC(F)(F)F)cc1 ZINC000080936583 384179051 /nfs/dbraw/zinc/17/90/51/384179051.db2.gz QZAZKWMGHYAZIG-UHFFFAOYSA-N 1 0 247.260 3.127 40 0 BGABRO CC[NH2+]Cc1ccccc1OCCC(F)(F)F ZINC000080936587 190993921 /nfs/dbraw/zinc/99/39/21/190993921.db2.gz YXKKDLRJFWTQEP-UHFFFAOYSA-N 1 0 247.260 3.127 40 0 BGABRO CC[NH2+]Cc1cccc(OCCC(F)(F)F)c1 ZINC000080936611 384178696 /nfs/dbraw/zinc/17/86/96/384178696.db2.gz NNNCPTBPIINBDI-UHFFFAOYSA-N 1 0 247.260 3.127 40 0 BGABRO CSc1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000082594479 384697312 /nfs/dbraw/zinc/69/73/12/384697312.db2.gz YOSABIWCBXCBDP-GFCCVEGCSA-N 1 0 207.342 3.208 40 0 BGABRO CSc1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000082594480 200664381 /nfs/dbraw/zinc/66/43/81/200664381.db2.gz YOSABIWCBXCBDP-LBPRGKRZSA-N 1 0 207.342 3.208 40 0 BGABRO CSc1ccc([C@@H]([NH3+])CC(C)C)cc1 ZINC000082595001 200664251 /nfs/dbraw/zinc/66/42/51/200664251.db2.gz ZZXZPIXWRZCPEI-LBPRGKRZSA-N 1 0 209.358 3.454 40 0 BGABRO CSc1ccc([C@H]([NH3+])CC(C)C)cc1 ZINC000082595003 384696643 /nfs/dbraw/zinc/69/66/43/384696643.db2.gz ZZXZPIXWRZCPEI-GFCCVEGCSA-N 1 0 209.358 3.454 40 0 BGABRO C[C@H]([NH3+])c1ccc(-c2cccs2)s1 ZINC000082706572 384703600 /nfs/dbraw/zinc/70/36/00/384703600.db2.gz RMRJJYPZEAACBP-ZETCQYMHSA-N 1 0 209.339 3.496 40 0 BGABRO C[C@@H]([NH3+])c1ccc(-c2cccs2)s1 ZINC000082706573 384704731 /nfs/dbraw/zinc/70/47/31/384704731.db2.gz RMRJJYPZEAACBP-SSDOTTSWSA-N 1 0 209.339 3.496 40 0 BGABRO COc1ccc(-c2ccc([C@H](C)[NH3+])s2)cc1 ZINC000082706828 175033982 /nfs/dbraw/zinc/03/39/82/175033982.db2.gz DOPQBABCXWLZHP-VIFPVBQESA-N 1 0 233.336 3.443 40 0 BGABRO COc1ccc(-c2ccc([C@@H](C)[NH3+])s2)cc1 ZINC000082706829 175034109 /nfs/dbraw/zinc/03/41/09/175034109.db2.gz DOPQBABCXWLZHP-SECBINFHSA-N 1 0 233.336 3.443 40 0 BGABRO COc1cccc(-c2ccc([C@H](C)[NH3+])s2)c1 ZINC000082706850 175233878 /nfs/dbraw/zinc/23/38/78/175233878.db2.gz JKPSBYHTDNYVES-VIFPVBQESA-N 1 0 233.336 3.443 40 0 BGABRO COc1cccc(-c2ccc([C@@H](C)[NH3+])s2)c1 ZINC000082706851 175234548 /nfs/dbraw/zinc/23/45/48/175234548.db2.gz JKPSBYHTDNYVES-SECBINFHSA-N 1 0 233.336 3.443 40 0 BGABRO [NH3+]CC[C@H](CCc1ccccc1)C(F)(F)F ZINC000082718108 384550257 /nfs/dbraw/zinc/55/02/57/384550257.db2.gz NKUIIRRNKVAEQJ-NSHDSACASA-N 1 0 231.261 3.147 40 0 BGABRO [NH3+]CC[C@@H](CCc1ccccc1)C(F)(F)F ZINC000082718109 384548603 /nfs/dbraw/zinc/54/86/03/384548603.db2.gz NKUIIRRNKVAEQJ-LLVKDONJSA-N 1 0 231.261 3.147 40 0 BGABRO [NH3+][C@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000082720562 398278952 /nfs/dbraw/zinc/27/89/52/398278952.db2.gz YHHMNHMWVVSJEA-HNNXBMFYSA-N 1 0 238.334 3.097 40 0 BGABRO [NH3+][C@@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000082720563 398278751 /nfs/dbraw/zinc/27/87/51/398278751.db2.gz YHHMNHMWVVSJEA-OAHLLOKOSA-N 1 0 238.334 3.097 40 0 BGABRO CCSc1ccc(Cl)cc1C[NH2+]C ZINC000082722262 384316048 /nfs/dbraw/zinc/31/60/48/384316048.db2.gz NZJJOIVEQPBYIR-UHFFFAOYSA-N 1 0 215.749 3.171 40 0 BGABRO Cc1c2cc([C@@H]3CCC[NH2+]3)ccc2n(C)c1C ZINC000083069887 383879876 /nfs/dbraw/zinc/87/98/76/383879876.db2.gz MKYUDAKCTDTRAL-AWEZNQCLSA-N 1 0 228.339 3.220 40 0 BGABRO Cc1c2cc([C@H]3CCC[NH2+]3)ccc2n(C)c1C ZINC000083069888 383880228 /nfs/dbraw/zinc/88/02/28/383880228.db2.gz MKYUDAKCTDTRAL-CQSZACIVSA-N 1 0 228.339 3.220 40 0 BGABRO Cc1[nH]c2ccc(F)cc2c1C1CC[NH2+]CC1 ZINC000083077131 383886445 /nfs/dbraw/zinc/88/64/45/383886445.db2.gz GLSDDKOXLYWBFE-UHFFFAOYSA-N 1 0 232.302 3.082 40 0 BGABRO CC1(C)CC([NH3+])(c2ccc(Cl)cc2)C1 ZINC000083162164 345915020 /nfs/dbraw/zinc/91/50/20/345915020.db2.gz WQEDKHCATMEKAU-UHFFFAOYSA-N 1 0 209.720 3.314 40 0 BGABRO Cc1ccc(C2(C[NH3+])CC3(CCC3)C2)cc1 ZINC000083174073 345915121 /nfs/dbraw/zinc/91/51/21/345915121.db2.gz BXSKGLSLLXLVRP-UHFFFAOYSA-N 1 0 215.340 3.156 40 0 BGABRO [NH3+]C1(c2ccc(Cl)cc2)CC2(CCC2)C1 ZINC000083174100 345915075 /nfs/dbraw/zinc/91/50/75/345915075.db2.gz HNXVYXDJVRCXKI-UHFFFAOYSA-N 1 0 221.731 3.458 40 0 BGABRO Cc1ccc(C2([NH3+])CC3(CCC3)C2)cc1 ZINC000083174118 343075577 /nfs/dbraw/zinc/07/55/77/343075577.db2.gz FEILLTBYAVQDJL-UHFFFAOYSA-N 1 0 201.313 3.113 40 0 BGABRO CC[C@@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000083304991 384757757 /nfs/dbraw/zinc/75/77/57/384757757.db2.gz LPQFPLJRYJOIMC-SECBINFHSA-N 1 0 221.197 3.254 40 0 BGABRO Clc1cccc(Cl)c1S[C@@H]1CC[NH2+]C1 ZINC000083308923 384759230 /nfs/dbraw/zinc/75/92/30/384759230.db2.gz PNFKZJUICRCPIJ-SSDOTTSWSA-N 1 0 248.178 3.447 40 0 BGABRO Clc1cccc(Cl)c1S[C@H]1CC[NH2+]C1 ZINC000083308925 384758323 /nfs/dbraw/zinc/75/83/23/384758323.db2.gz PNFKZJUICRCPIJ-ZETCQYMHSA-N 1 0 248.178 3.447 40 0 BGABRO FC(F)(F)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000083323402 180889760 /nfs/dbraw/zinc/88/97/60/180889760.db2.gz DWYITFYTKHCOSX-RYUDHWBXSA-N 1 0 243.272 3.475 40 0 BGABRO FC(F)(F)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000083323404 387855976 /nfs/dbraw/zinc/85/59/76/387855976.db2.gz DWYITFYTKHCOSX-NWDGAFQWSA-N 1 0 243.272 3.475 40 0 BGABRO FC(F)(F)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000083323406 387855131 /nfs/dbraw/zinc/85/51/31/387855131.db2.gz DWYITFYTKHCOSX-NEPJUHHUSA-N 1 0 243.272 3.475 40 0 BGABRO FC(F)(F)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000083323408 387855644 /nfs/dbraw/zinc/85/56/44/387855644.db2.gz DWYITFYTKHCOSX-VXGBXAGGSA-N 1 0 243.272 3.475 40 0 BGABRO [NH3+]C1(CC2CCC2)CCC(F)(F)CC1 ZINC000083351135 181331330 /nfs/dbraw/zinc/33/13/30/181331330.db2.gz DQOZXSBBVJWHAD-UHFFFAOYSA-N 1 0 203.276 3.083 40 0 BGABRO [NH3+]C1(Cc2ccc(F)cc2)CCC(F)(F)CC1 ZINC000083351136 181332776 /nfs/dbraw/zinc/33/27/76/181332776.db2.gz RCAMVTDPPKGMSW-UHFFFAOYSA-N 1 0 243.272 3.275 40 0 BGABRO [NH3+]C1(Cc2ccccc2)CCC(F)(F)CC1 ZINC000083351197 181331800 /nfs/dbraw/zinc/33/18/00/181331800.db2.gz FPCNCWWVTVUIHG-UHFFFAOYSA-N 1 0 225.282 3.136 40 0 BGABRO [NH3+]C1(Cc2ccccc2F)CCC(F)(F)CC1 ZINC000083351198 181332663 /nfs/dbraw/zinc/33/26/63/181332663.db2.gz KDBDYODLYFCSHE-UHFFFAOYSA-N 1 0 243.272 3.275 40 0 BGABRO [NH3+]C1(Cc2cccc(F)c2)CCC(F)(F)CC1 ZINC000083351199 181332788 /nfs/dbraw/zinc/33/27/88/181332788.db2.gz GOLXNQGZTISDDP-UHFFFAOYSA-N 1 0 243.272 3.275 40 0 BGABRO Cc1ccncc1NCc1cc(F)cc(F)c1 ZINC000083360668 384504087 /nfs/dbraw/zinc/50/40/87/384504087.db2.gz KHKBKJOMIRUWFG-UHFFFAOYSA-N 1 0 234.249 3.280 40 0 BGABRO Cc1ccc(NCc2cc(F)cc(F)c2)cn1 ZINC000083360673 384502895 /nfs/dbraw/zinc/50/28/95/384502895.db2.gz MCDYVDAXZQRZKQ-UHFFFAOYSA-N 1 0 234.249 3.280 40 0 BGABRO Cc1ccnc(NCc2c(F)cccc2F)c1 ZINC000083360701 384469315 /nfs/dbraw/zinc/46/93/15/384469315.db2.gz BIPNFMMVZKAIPT-UHFFFAOYSA-N 1 0 234.249 3.280 40 0 BGABRO [NH3+]Cc1cc(-c2ccsc2)ccc1F ZINC000083446664 344176409 /nfs/dbraw/zinc/17/64/09/344176409.db2.gz XLLADLYSWDHSDA-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO [NH3+]Cc1ccc(-c2ccsc2)cc1F ZINC000083446832 345917840 /nfs/dbraw/zinc/91/78/40/345917840.db2.gz OATRFEGGVODEIJ-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO [NH3+]Cc1ccc(F)c(-c2ccsc2)c1 ZINC000083446879 345917634 /nfs/dbraw/zinc/91/76/34/345917634.db2.gz IERWRHHDYMGZRC-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000083571167 181332120 /nfs/dbraw/zinc/33/21/20/181332120.db2.gz ZSUATGXGPALQAY-UHFFFAOYSA-N 1 0 229.245 3.129 40 0 BGABRO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000083571334 181332283 /nfs/dbraw/zinc/33/22/83/181332283.db2.gz UBVRYRYINZMVOC-UHFFFAOYSA-N 1 0 229.245 3.129 40 0 BGABRO [NH3+][C@@H](c1cccnc1)C1CCCCCC1 ZINC000083779492 181565659 /nfs/dbraw/zinc/56/56/59/181565659.db2.gz SBQIJIUNAPNLAO-CYBMUJFWSA-N 1 0 204.317 3.052 40 0 BGABRO [NH3+][C@H](c1cccnc1)C1CCCCCC1 ZINC000083779494 398285397 /nfs/dbraw/zinc/28/53/97/398285397.db2.gz SBQIJIUNAPNLAO-ZDUSSCGKSA-N 1 0 204.317 3.052 40 0 BGABRO C[C@H](C[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC000084010216 384827545 /nfs/dbraw/zinc/82/75/45/384827545.db2.gz WTBQAFJTGFQICT-ZETCQYMHSA-N 1 0 218.127 3.131 40 0 BGABRO C[C@@H](C[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC000084010218 384828562 /nfs/dbraw/zinc/82/85/62/384828562.db2.gz WTBQAFJTGFQICT-SSDOTTSWSA-N 1 0 218.127 3.131 40 0 BGABRO COc1cccc([C@@H]([NH3+])C(C)C)c1Cl ZINC000084479772 175288719 /nfs/dbraw/zinc/28/87/19/175288719.db2.gz OZUZBIVTDFSOMH-NSHDSACASA-N 1 0 213.708 3.004 40 0 BGABRO COc1cccc([C@H]([NH3+])C(C)C)c1Cl ZINC000084479774 175294071 /nfs/dbraw/zinc/29/40/71/175294071.db2.gz OZUZBIVTDFSOMH-LLVKDONJSA-N 1 0 213.708 3.004 40 0 BGABRO CC(C)(C[NH3+])c1cc(Cl)ccc1Cl ZINC000084485280 384872326 /nfs/dbraw/zinc/87/23/26/384872326.db2.gz KBUSKPZMEGJTOH-UHFFFAOYSA-N 1 0 218.127 3.230 40 0 BGABRO CC(C)(C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000084485291 384873158 /nfs/dbraw/zinc/87/31/58/384873158.db2.gz LLEQVHULGGMBPH-UHFFFAOYSA-N 1 0 218.127 3.230 40 0 BGABRO [NH3+]CCCN(c1ccccc1)c1ccccc1 ZINC000085385877 181379614 /nfs/dbraw/zinc/37/96/14/181379614.db2.gz FZHLWUQXXWTNCF-UHFFFAOYSA-N 1 0 226.323 3.174 40 0 BGABRO C[NH2+]CCCN(c1ccccc1)c1ccccc1 ZINC000085385880 173347286 /nfs/dbraw/zinc/34/72/86/173347286.db2.gz VCFZDHFIZOETKS-UHFFFAOYSA-N 1 0 240.350 3.434 40 0 BGABRO C[NH2+]CCN(c1ccccc1)c1ccccc1 ZINC000085385886 173354622 /nfs/dbraw/zinc/35/46/22/173354622.db2.gz IIDROTLUSPAECT-UHFFFAOYSA-N 1 0 226.323 3.044 40 0 BGABRO c1ccc(C(c2ccccc2)[C@@H]2CC[NH2+]C2)cc1 ZINC000085388716 183387419 /nfs/dbraw/zinc/38/74/19/183387419.db2.gz QZAWLRZELFZJPL-MRXNPFEDSA-N 1 0 237.346 3.428 40 0 BGABRO c1ccc(C(c2ccccc2)[C@H]2CC[NH2+]C2)cc1 ZINC000085388718 183388250 /nfs/dbraw/zinc/38/82/50/183388250.db2.gz QZAWLRZELFZJPL-INIZCTEOSA-N 1 0 237.346 3.428 40 0 BGABRO c1ccc2c(c1)-c1ccccc1C2[C@@H]1CC[NH2+]C1 ZINC000085388723 385150244 /nfs/dbraw/zinc/15/02/44/385150244.db2.gz KAIZBEOAKRNDPS-GFCCVEGCSA-N 1 0 235.330 3.408 40 0 BGABRO c1ccc2c(c1)-c1ccccc1C2[C@H]1CC[NH2+]C1 ZINC000085388726 385149671 /nfs/dbraw/zinc/14/96/71/385149671.db2.gz KAIZBEOAKRNDPS-LBPRGKRZSA-N 1 0 235.330 3.408 40 0 BGABRO FCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000085391444 387491106 /nfs/dbraw/zinc/49/11/06/387491106.db2.gz LGASXCULYCVQEM-UHFFFAOYSA-N 1 0 221.319 3.272 40 0 BGABRO CCc1ccc(CCC[NH3+])c2ccccc12 ZINC000085391523 171791434 /nfs/dbraw/zinc/79/14/34/171791434.db2.gz KPQWDJJUQNQZOH-UHFFFAOYSA-N 1 0 213.324 3.294 40 0 BGABRO CCCCc1sc(C[NH3+])cc1Br ZINC000085392813 169032428 /nfs/dbraw/zinc/03/24/28/169032428.db2.gz RBWXMNLMUPMUAX-UHFFFAOYSA-N 1 0 248.189 3.312 40 0 BGABRO CC(C)Cc1sc(C[NH3+])cc1Br ZINC000085392816 385159821 /nfs/dbraw/zinc/15/98/21/385159821.db2.gz HMQUQHGWVDRZMG-UHFFFAOYSA-N 1 0 248.189 3.168 40 0 BGABRO Cc1sc(C[NH2+]C(C)C)cc1Br ZINC000085393234 385159406 /nfs/dbraw/zinc/15/94/06/385159406.db2.gz FIIDQDRVAAZYHI-UHFFFAOYSA-N 1 0 248.189 3.317 40 0 BGABRO Cc1ccc(C[NH2+]CC2CC(C)C2)cc1 ZINC000085393814 178603908 /nfs/dbraw/zinc/60/39/08/178603908.db2.gz OJINLDNHZUBCOF-UHFFFAOYSA-N 1 0 203.329 3.131 40 0 BGABRO CC[NH2+]CCOC1CCC(c2ccccc2)CC1 ZINC000085395386 170116538 /nfs/dbraw/zinc/11/65/38/170116538.db2.gz VBFUDBQAOUCEST-UHFFFAOYSA-N 1 0 247.382 3.339 40 0 BGABRO CCCc1ccc([C@H](O)C2(C[NH3+])CCCC2)cc1 ZINC000085395801 169575306 /nfs/dbraw/zinc/57/53/06/169575306.db2.gz PRGHUWFHOINIHN-HNNXBMFYSA-N 1 0 247.382 3.192 40 0 BGABRO CCCc1ccc([C@@H](O)C2(C[NH3+])CCCC2)cc1 ZINC000085395804 169574621 /nfs/dbraw/zinc/57/46/21/169574621.db2.gz PRGHUWFHOINIHN-OAHLLOKOSA-N 1 0 247.382 3.192 40 0 BGABRO CC(C)c1ccc([C@H](O)C2(C[NH3+])CCCC2)cc1 ZINC000085395808 385159559 /nfs/dbraw/zinc/15/95/59/385159559.db2.gz CAZRHJKGTXKYFD-HNNXBMFYSA-N 1 0 247.382 3.363 40 0 BGABRO CC(C)c1ccc([C@@H](O)C2(C[NH3+])CCCC2)cc1 ZINC000085395810 167614821 /nfs/dbraw/zinc/61/48/21/167614821.db2.gz CAZRHJKGTXKYFD-OAHLLOKOSA-N 1 0 247.382 3.363 40 0 BGABRO Cc1cc(C[NH2+]CCc2ccccc2)c(C)o1 ZINC000085395911 178022838 /nfs/dbraw/zinc/02/28/38/178022838.db2.gz XHSPVWAYLPYJSF-UHFFFAOYSA-N 1 0 229.323 3.229 40 0 BGABRO CCOCC[C@H](CC)C[NH2+]CC1CCCC1 ZINC000085395919 385158785 /nfs/dbraw/zinc/15/87/85/385158785.db2.gz GNDWNUBPEVZNLA-ZDUSSCGKSA-N 1 0 227.392 3.219 40 0 BGABRO CCOCC[C@@H](CC)C[NH2+]CC1CCCC1 ZINC000085395921 385158865 /nfs/dbraw/zinc/15/88/65/385158865.db2.gz GNDWNUBPEVZNLA-CYBMUJFWSA-N 1 0 227.392 3.219 40 0 BGABRO CCOCC[C@H](CC)C[NH2+]C1CCCCC1 ZINC000085395923 170427742 /nfs/dbraw/zinc/42/77/42/170427742.db2.gz LEGALEBXEOLULU-ZDUSSCGKSA-N 1 0 227.392 3.362 40 0 BGABRO CCOCC[C@@H](CC)C[NH2+]C1CCCCC1 ZINC000085395924 385159496 /nfs/dbraw/zinc/15/94/96/385159496.db2.gz LEGALEBXEOLULU-CYBMUJFWSA-N 1 0 227.392 3.362 40 0 BGABRO CCCCC[NH2+]C[C@@H](CC)CCOCC ZINC000085396058 385160814 /nfs/dbraw/zinc/16/08/14/385160814.db2.gz JGSLCGYDCAUTEP-ZDUSSCGKSA-N 1 0 215.381 3.219 40 0 BGABRO CCCCC[NH2+]C[C@H](CC)CCOCC ZINC000085396060 385162263 /nfs/dbraw/zinc/16/22/63/385162263.db2.gz JGSLCGYDCAUTEP-CYBMUJFWSA-N 1 0 215.381 3.219 40 0 BGABRO CCCCC[NH2+]CCC[C@@H](CCC)OC ZINC000085396062 385160988 /nfs/dbraw/zinc/16/09/88/385160988.db2.gz DETHQPOQCUBBIJ-CYBMUJFWSA-N 1 0 215.381 3.362 40 0 BGABRO CCCCC[NH2+]CCC[C@H](CCC)OC ZINC000085396065 385162396 /nfs/dbraw/zinc/16/23/96/385162396.db2.gz DETHQPOQCUBBIJ-ZDUSSCGKSA-N 1 0 215.381 3.362 40 0 BGABRO CCC[C@@H](CCC[NH2+]C1CCCC1)OC ZINC000085396128 169381805 /nfs/dbraw/zinc/38/18/05/169381805.db2.gz MSCLFUWQWGJYSQ-ZDUSSCGKSA-N 1 0 213.365 3.114 40 0 BGABRO CCC[C@H](CCC[NH2+]C1CCCC1)OC ZINC000085396131 385162703 /nfs/dbraw/zinc/16/27/03/385162703.db2.gz MSCLFUWQWGJYSQ-CYBMUJFWSA-N 1 0 213.365 3.114 40 0 BGABRO CCC[NH2+]Cc1csc2c1CCCC2 ZINC000085396151 169268771 /nfs/dbraw/zinc/26/87/71/169268771.db2.gz ZMMYVEOGZWNLDA-UHFFFAOYSA-N 1 0 209.358 3.127 40 0 BGABRO CC(C)[NH2+]Cc1csc2c1CCCC2 ZINC000085396153 167121042 /nfs/dbraw/zinc/12/10/42/167121042.db2.gz VOMKVUJBQCAGFO-UHFFFAOYSA-N 1 0 209.358 3.125 40 0 BGABRO Cc1cc(C[NH2+]CC2CCCC2)c(C)o1 ZINC000085396197 178020005 /nfs/dbraw/zinc/02/00/05/178020005.db2.gz LSGQJHFMMRCQJF-UHFFFAOYSA-N 1 0 207.317 3.176 40 0 BGABRO Cc1occc1C[NH2+]CC1CCCCC1 ZINC000085396199 385161752 /nfs/dbraw/zinc/16/17/52/385161752.db2.gz WAYFDEPXYYBMLQ-UHFFFAOYSA-N 1 0 207.317 3.258 40 0 BGABRO [NH3+]Cc1c2c([nH]c1-c1ccccc1)CCCC2 ZINC000085397293 181470566 /nfs/dbraw/zinc/47/05/66/181470566.db2.gz QTSBUZPBESOIAD-UHFFFAOYSA-N 1 0 226.323 3.019 40 0 BGABRO CC1(C)[C@@]2(C)CC[C@]1(c1ccccc1)C[C@@H]2[NH3+] ZINC000085398833 187285440 /nfs/dbraw/zinc/28/54/40/187285440.db2.gz NEAWUDPEOCRETE-CWRNSKLLSA-N 1 0 229.367 3.482 40 0 BGABRO CC1(C)[C@]2(C)CC[C@@]1(c1ccccc1)C[C@@H]2[NH3+] ZINC000085398835 168005159 /nfs/dbraw/zinc/00/51/59/168005159.db2.gz NEAWUDPEOCRETE-IMJJTQAJSA-N 1 0 229.367 3.482 40 0 BGABRO CC[C@@H](C)[C@H]([NH3+])CSc1ccccc1 ZINC000086391847 170796841 /nfs/dbraw/zinc/79/68/41/170796841.db2.gz IIGOULUOROHSGT-ZYHUDNBSSA-N 1 0 209.358 3.152 40 0 BGABRO CC[C@H](C)[C@H]([NH3+])CSc1ccccc1 ZINC000086391850 171397080 /nfs/dbraw/zinc/39/70/80/171397080.db2.gz IIGOULUOROHSGT-CMPLNLGQSA-N 1 0 209.358 3.152 40 0 BGABRO CC[C@@H](C)[C@@H]([NH3+])CSc1ccccc1 ZINC000086391851 385014365 /nfs/dbraw/zinc/01/43/65/385014365.db2.gz IIGOULUOROHSGT-PWSUYJOCSA-N 1 0 209.358 3.152 40 0 BGABRO CC[C@H](C)[C@@H]([NH3+])CSc1ccccc1 ZINC000086391854 171372714 /nfs/dbraw/zinc/37/27/14/171372714.db2.gz IIGOULUOROHSGT-JQWIXIFHSA-N 1 0 209.358 3.152 40 0 BGABRO CCCC[NH2+]Cc1cc(C)n(CC)c1C ZINC000086592074 168870301 /nfs/dbraw/zinc/87/03/01/168870301.db2.gz AWSYJSYJRHJQHF-UHFFFAOYSA-N 1 0 208.349 3.015 40 0 BGABRO [NH3+]CC1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000087411233 181360768 /nfs/dbraw/zinc/36/07/68/181360768.db2.gz HXYXPBCVQUCNGQ-UHFFFAOYSA-N 1 0 243.272 3.377 40 0 BGABRO [NH3+]CC1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000087411238 181360433 /nfs/dbraw/zinc/36/04/33/181360433.db2.gz WBJRZSUXDAIMOI-UHFFFAOYSA-N 1 0 243.272 3.377 40 0 BGABRO c1cc2cccc([C@@H]3CCC[NH2+]3)c2s1 ZINC000088039155 183359491 /nfs/dbraw/zinc/35/94/91/183359491.db2.gz AEGHZEMELCUGAD-NSHDSACASA-N 1 0 203.310 3.326 40 0 BGABRO c1cc2cccc([C@H]3CCC[NH2+]3)c2s1 ZINC000088039157 183362722 /nfs/dbraw/zinc/36/27/22/183362722.db2.gz AEGHZEMELCUGAD-LLVKDONJSA-N 1 0 203.310 3.326 40 0 BGABRO CC(C)C[C@H]([NH3+])c1nc2cccnc2n1C(C)C ZINC000088871671 386993051 /nfs/dbraw/zinc/99/30/51/386993051.db2.gz GXQMHRNDTKYVMM-NSHDSACASA-N 1 0 246.358 3.058 40 0 BGABRO CC(C)C[C@@H]([NH3+])c1nc2cccnc2n1C(C)C ZINC000088871673 386994397 /nfs/dbraw/zinc/99/43/97/386994397.db2.gz GXQMHRNDTKYVMM-LLVKDONJSA-N 1 0 246.358 3.058 40 0 BGABRO [NH3+]Cc1ccc2ccccc2c1Br ZINC000089211690 385192817 /nfs/dbraw/zinc/19/28/17/385192817.db2.gz ITXFFJPXSATAIU-UHFFFAOYSA-N 1 0 236.112 3.061 40 0 BGABRO CC[C@H]([NH3+])COCc1cc(Cl)ccc1Cl ZINC000089261716 171485323 /nfs/dbraw/zinc/48/53/23/171485323.db2.gz RYSAIUFVOIEFNJ-JTQLQIEISA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@@H]([NH3+])COCc1cc(Cl)ccc1Cl ZINC000089261720 170865446 /nfs/dbraw/zinc/86/54/46/170865446.db2.gz RYSAIUFVOIEFNJ-SNVBAGLBSA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@H]([NH3+])COCc1cc(Cl)cc(Cl)c1 ZINC000089261845 383955554 /nfs/dbraw/zinc/95/55/54/383955554.db2.gz ZCSOAXIKEDMACC-NSHDSACASA-N 1 0 248.153 3.247 40 0 BGABRO CC[C@@H]([NH3+])COCc1cc(Cl)cc(Cl)c1 ZINC000089261846 383954790 /nfs/dbraw/zinc/95/47/90/383954790.db2.gz ZCSOAXIKEDMACC-LLVKDONJSA-N 1 0 248.153 3.247 40 0 BGABRO CC(C)([NH3+])CCc1cccc(C(F)(F)F)c1 ZINC000089261861 383954903 /nfs/dbraw/zinc/95/49/03/383954903.db2.gz OWQHTQZFUKAZIF-UHFFFAOYSA-N 1 0 231.261 3.375 40 0 BGABRO CC(C)c1cccc2cc(C[NH3+])c(Cl)nc21 ZINC000089262000 383955216 /nfs/dbraw/zinc/95/52/16/383955216.db2.gz NIUMQIQCRUUVIY-UHFFFAOYSA-N 1 0 234.730 3.470 40 0 BGABRO CC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000089262667 171489568 /nfs/dbraw/zinc/48/95/68/171489568.db2.gz UDUDBWXCNNICCQ-QMMMGPOBSA-N 1 0 204.100 3.403 40 0 BGABRO CC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000089262669 383955362 /nfs/dbraw/zinc/95/53/62/383955362.db2.gz UDUDBWXCNNICCQ-MRVPVSSYSA-N 1 0 204.100 3.403 40 0 BGABRO CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000089263414 383958484 /nfs/dbraw/zinc/95/84/84/383958484.db2.gz PBPYPKNWVKHMSW-VIFPVBQESA-N 1 0 204.100 3.403 40 0 BGABRO CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000089263416 383958146 /nfs/dbraw/zinc/95/81/46/383958146.db2.gz PBPYPKNWVKHMSW-SECBINFHSA-N 1 0 204.100 3.403 40 0 BGABRO Clc1cccc([C@@H]2CC[NH2+]CCS2)c1 ZINC000090397274 384044641 /nfs/dbraw/zinc/04/46/41/384044641.db2.gz LEPJJJMJAVLCCJ-NSHDSACASA-N 1 0 227.760 3.108 40 0 BGABRO Clc1cccc([C@H]2CC[NH2+]CCS2)c1 ZINC000090397279 180591667 /nfs/dbraw/zinc/59/16/67/180591667.db2.gz LEPJJJMJAVLCCJ-LLVKDONJSA-N 1 0 227.760 3.108 40 0 BGABRO Clc1ccc([C@@H]2CC[NH2+]CCS2)cc1 ZINC000090397286 180585026 /nfs/dbraw/zinc/58/50/26/180585026.db2.gz CWWXTKDBAWUSBM-NSHDSACASA-N 1 0 227.760 3.108 40 0 BGABRO Clc1ccc([C@H]2CC[NH2+]CCS2)cc1 ZINC000090397287 180585190 /nfs/dbraw/zinc/58/51/90/180585190.db2.gz CWWXTKDBAWUSBM-LLVKDONJSA-N 1 0 227.760 3.108 40 0 BGABRO c1nc([C@@H]2CCC[NH2+]2)sc1-c1ccccc1 ZINC000090413005 183380666 /nfs/dbraw/zinc/38/06/66/183380666.db2.gz FAAHNTBFQALVRC-NSHDSACASA-N 1 0 230.336 3.235 40 0 BGABRO C[NH+](C)Cc1ccc(Br)c(Cl)c1 ZINC000090413578 384048336 /nfs/dbraw/zinc/04/83/36/384048336.db2.gz MBZYFQGJMCBYTQ-UHFFFAOYSA-N 1 0 248.551 3.164 40 0 BGABRO CC(C)[NH+](Cc1ccc(C=O)cc1)C(C)C ZINC000090669175 188305047 /nfs/dbraw/zinc/30/50/47/188305047.db2.gz NAOVFYNXXPSKIM-UHFFFAOYSA-N 1 0 219.328 3.118 40 0 BGABRO CCc1ccccc1Nc1ncc(C)cc1N ZINC000090676538 384068204 /nfs/dbraw/zinc/06/82/04/384068204.db2.gz SLBJBSKXGLYAGO-UHFFFAOYSA-N 1 0 227.311 3.278 40 0 BGABRO CC[NH2+]Cc1cccn1Cc1ccc(Cl)cc1 ZINC000090995960 170129507 /nfs/dbraw/zinc/12/95/07/170129507.db2.gz REPWMBSRAGVNMD-UHFFFAOYSA-N 1 0 248.757 3.299 40 0 BGABRO CC[NH2+]Cc1cccn1Cc1ccccc1Cl ZINC000090995961 170129686 /nfs/dbraw/zinc/12/96/86/170129686.db2.gz SIAQZBBWVMYZPN-UHFFFAOYSA-N 1 0 248.757 3.299 40 0 BGABRO CCC[NH2+]Cc1cccn1Cc1ccccc1C ZINC000090996151 169267911 /nfs/dbraw/zinc/26/79/11/169267911.db2.gz HKXQTOOCZGCRFA-UHFFFAOYSA-N 1 0 242.366 3.344 40 0 BGABRO CCC[NH2+]Cc1cccn1Cc1cccc(C)c1 ZINC000090996222 169267805 /nfs/dbraw/zinc/26/78/05/169267805.db2.gz GCIWEMFATWNCPJ-UHFFFAOYSA-N 1 0 242.366 3.344 40 0 BGABRO CCC[NH2+]Cc1cccn1Cc1ccc(C)cc1 ZINC000091001013 169267920 /nfs/dbraw/zinc/26/79/20/169267920.db2.gz DRJTZPKLBSCBIJ-UHFFFAOYSA-N 1 0 242.366 3.344 40 0 BGABRO [NH3+]CCc1ccccc1-c1cc(F)cc(F)c1 ZINC000091692626 385311426 /nfs/dbraw/zinc/31/14/26/385311426.db2.gz KPGPSOCCDKUXIA-UHFFFAOYSA-N 1 0 233.261 3.133 40 0 BGABRO CCCCC[NH2+]Cc1cccc(C)c1OC ZINC000095094806 384959300 /nfs/dbraw/zinc/95/93/00/384959300.db2.gz UUQAUYLHBADLQE-UHFFFAOYSA-N 1 0 221.344 3.283 40 0 BGABRO COc1c(C)cccc1C[NH2+]CCC(C)C ZINC000095094815 384960661 /nfs/dbraw/zinc/96/06/61/384960661.db2.gz ITFOIPVCXDLKBU-UHFFFAOYSA-N 1 0 221.344 3.139 40 0 BGABRO CCC(C)(C)[NH2+]Cc1cccc(C)c1OC ZINC000095094816 168299800 /nfs/dbraw/zinc/29/98/00/168299800.db2.gz QAGKXFJOMFYOTI-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO CCOc1c(C)cccc1C[NH2+]C(C)(C)C ZINC000095094825 170513378 /nfs/dbraw/zinc/51/33/78/170513378.db2.gz OOGAJFSZDZXMPG-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO CCCC[NH2+]Cc1cccc(C)c1OCC ZINC000095094827 384961288 /nfs/dbraw/zinc/96/12/88/384961288.db2.gz JKTNGKAKXCJBCY-UHFFFAOYSA-N 1 0 221.344 3.283 40 0 BGABRO CCOc1c(C)cccc1C[NH2+]C1CCCC1 ZINC000095094828 170513899 /nfs/dbraw/zinc/51/38/99/170513899.db2.gz BEYOXRATUUJHTM-UHFFFAOYSA-N 1 0 233.355 3.426 40 0 BGABRO CCOc1c(C)cccc1C[NH2+]CC(C)C ZINC000095094833 384960907 /nfs/dbraw/zinc/96/09/07/384960907.db2.gz VIQWNWGNJYEUAX-UHFFFAOYSA-N 1 0 221.344 3.139 40 0 BGABRO CCOc1c(C)cccc1C[NH2+][C@H](C)CC ZINC000095094834 170513918 /nfs/dbraw/zinc/51/39/18/170513918.db2.gz YZFXGSXVGHBVFU-GFCCVEGCSA-N 1 0 221.344 3.282 40 0 BGABRO CCOc1c(C)cccc1C[NH2+][C@@H](C)CC ZINC000095094835 170513896 /nfs/dbraw/zinc/51/38/96/170513896.db2.gz YZFXGSXVGHBVFU-LBPRGKRZSA-N 1 0 221.344 3.282 40 0 BGABRO CCC[NH2+]Cc1cccc(C)c1OC(C)C ZINC000095094851 169268210 /nfs/dbraw/zinc/26/82/10/169268210.db2.gz ZAQLLQCGKRRGDR-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO Cc1cccc(C[NH2+]C2CC2)c1OC(C)C ZINC000095094856 179089448 /nfs/dbraw/zinc/08/94/48/179089448.db2.gz QOSDLOXZJQKKLF-UHFFFAOYSA-N 1 0 219.328 3.034 40 0 BGABRO Cc1cccc(C[NH2+]C(C)C)c1OC(C)C ZINC000095094857 179088175 /nfs/dbraw/zinc/08/81/75/179088175.db2.gz FJTFOUUKDNJANF-UHFFFAOYSA-N 1 0 221.344 3.280 40 0 BGABRO CCC[NH2+]Cc1cccc(C)c1OCCC ZINC000095094863 169268170 /nfs/dbraw/zinc/26/81/70/169268170.db2.gz NJQJYMKVFBGYLH-UHFFFAOYSA-N 1 0 221.344 3.283 40 0 BGABRO CCCOc1c(C)cccc1C[NH2+]C1CC1 ZINC000095094868 169313152 /nfs/dbraw/zinc/31/31/52/169313152.db2.gz LRXNNJUGVUMAPU-UHFFFAOYSA-N 1 0 219.328 3.036 40 0 BGABRO CCCOc1c(C)cccc1C[NH2+]C(C)C ZINC000095094869 169313225 /nfs/dbraw/zinc/31/32/25/169313225.db2.gz CJTQGDONHMOTOL-UHFFFAOYSA-N 1 0 221.344 3.282 40 0 BGABRO COc1c(C[NH2+]C(C)(C)C)ccc(C)c1C ZINC000095094870 384957267 /nfs/dbraw/zinc/95/72/67/384957267.db2.gz YQCSPEYLXJHXEY-UHFFFAOYSA-N 1 0 221.344 3.200 40 0 BGABRO CCCC[NH2+]Cc1ccc(C)c(C)c1OC ZINC000095094872 384957597 /nfs/dbraw/zinc/95/75/97/384957597.db2.gz ZKIXGJMJWISTPE-UHFFFAOYSA-N 1 0 221.344 3.202 40 0 BGABRO COc1c(C[NH2+]C2CCCC2)ccc(C)c1C ZINC000095094873 384958140 /nfs/dbraw/zinc/95/81/40/384958140.db2.gz ALHHHUMXAITZSE-UHFFFAOYSA-N 1 0 233.355 3.344 40 0 BGABRO COc1c(C[NH2+]CC(C)C)ccc(C)c1C ZINC000095094878 384958814 /nfs/dbraw/zinc/95/88/14/384958814.db2.gz WJUOMLRJHUBVIE-UHFFFAOYSA-N 1 0 221.344 3.058 40 0 BGABRO CC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1OC ZINC000095094879 384957066 /nfs/dbraw/zinc/95/70/66/384957066.db2.gz UJSZXYHWQPVJDL-LLVKDONJSA-N 1 0 221.344 3.200 40 0 BGABRO CC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1OC ZINC000095094880 171343094 /nfs/dbraw/zinc/34/30/94/171343094.db2.gz UJSZXYHWQPVJDL-NSHDSACASA-N 1 0 221.344 3.200 40 0 BGABRO COc1c(C[NH2+]CCC(C)C)ccc(C)c1C ZINC000095094885 384958633 /nfs/dbraw/zinc/95/86/33/384958633.db2.gz AGHRCFBQEHEUCG-UHFFFAOYSA-N 1 0 235.371 3.448 40 0 BGABRO CCC[NH2+]Cc1ccc(C)c(C)c1OCC ZINC000095094896 169266427 /nfs/dbraw/zinc/26/64/27/169266427.db2.gz CAVOUNUFWIYTMB-UHFFFAOYSA-N 1 0 221.344 3.202 40 0 BGABRO CCOc1c(C[NH2+]CC(C)C)ccc(C)c1C ZINC000095094897 170513886 /nfs/dbraw/zinc/51/38/86/170513886.db2.gz IBKAROUFVWMIDI-UHFFFAOYSA-N 1 0 235.371 3.448 40 0 BGABRO CCOc1c(C[NH2+]C(C)C)ccc(C)c1C ZINC000095094902 170513840 /nfs/dbraw/zinc/51/38/40/170513840.db2.gz ZHITVZFUGNTUMA-UHFFFAOYSA-N 1 0 221.344 3.200 40 0 BGABRO CC[NH2+]Cc1ccc(C)c(C)c1OC(C)C ZINC000095094904 170126478 /nfs/dbraw/zinc/12/64/78/170126478.db2.gz SMGOXOKRNUUWKN-UHFFFAOYSA-N 1 0 221.344 3.200 40 0 BGABRO CCCOc1c(C[NH2+]CC)ccc(C)c1C ZINC000095094910 169314063 /nfs/dbraw/zinc/31/40/63/169314063.db2.gz YRCRRKIBFVVLHM-UHFFFAOYSA-N 1 0 221.344 3.202 40 0 BGABRO CCCOc1c(C[NH2+]C2CC2)ccc(C)c1C ZINC000095094913 169313650 /nfs/dbraw/zinc/31/36/50/169313650.db2.gz XLZADIQSLNDSHI-UHFFFAOYSA-N 1 0 233.355 3.344 40 0 BGABRO CCCC[NH2+]Cc1cc(C)ccc1OCC ZINC000095094917 384960695 /nfs/dbraw/zinc/96/06/95/384960695.db2.gz NEXJLVVWJYVPKV-UHFFFAOYSA-N 1 0 221.344 3.283 40 0 BGABRO CCOc1ccc(C)cc1C[NH2+]C1CCCC1 ZINC000095094918 384961536 /nfs/dbraw/zinc/96/15/36/384961536.db2.gz DQJOSOQDKCYIDW-UHFFFAOYSA-N 1 0 233.355 3.426 40 0 BGABRO CCOc1ccc(C)cc1C[NH2+][C@H](C)CC ZINC000095094920 386981935 /nfs/dbraw/zinc/98/19/35/386981935.db2.gz KYKCRTHUNQGIPX-GFCCVEGCSA-N 1 0 221.344 3.282 40 0 BGABRO CCOc1ccc(C)cc1C[NH2+][C@@H](C)CC ZINC000095094921 384961297 /nfs/dbraw/zinc/96/12/97/384961297.db2.gz KYKCRTHUNQGIPX-LBPRGKRZSA-N 1 0 221.344 3.282 40 0 BGABRO Cc1cc(C)c(C)c(CSC(N)=[NH2+])c1C ZINC000095095672 385142641 /nfs/dbraw/zinc/14/26/41/385142641.db2.gz UNFFUGWZMBDDGF-UHFFFAOYSA-N 1 0 222.357 3.047 40 0 BGABRO CC[C@@H](C)c1ccc(CSC(N)=[NH2+])cc1 ZINC000095095673 385142764 /nfs/dbraw/zinc/14/27/64/385142764.db2.gz UUYKKXPJFPKLSE-SECBINFHSA-N 1 0 222.357 3.327 40 0 BGABRO CC[C@H](C)c1ccc(CSC(N)=[NH2+])cc1 ZINC000095095674 385142484 /nfs/dbraw/zinc/14/24/84/385142484.db2.gz UUYKKXPJFPKLSE-VIFPVBQESA-N 1 0 222.357 3.327 40 0 BGABRO c1ccc(N2CCCNc3c[nH+]ccc32)cc1 ZINC000095096536 385263975 /nfs/dbraw/zinc/26/39/75/385263975.db2.gz ZVPLUECACLDSFF-UHFFFAOYSA-N 1 0 225.295 3.035 40 0 BGABRO CC(C)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000095097528 385435057 /nfs/dbraw/zinc/43/50/57/385435057.db2.gz LIIXJLIZXNJMRJ-GJZGRUSLSA-N 1 0 238.419 3.029 40 0 BGABRO CCn1c([C@@H]2CCCC[NH2+]2)cc2ccccc21 ZINC000095098032 388759695 /nfs/dbraw/zinc/75/96/95/388759695.db2.gz VNJFOPSOMNNFQL-ZDUSSCGKSA-N 1 0 228.339 3.476 40 0 BGABRO CCn1c([C@H]2CCCC[NH2+]2)cc2ccccc21 ZINC000095098033 388760275 /nfs/dbraw/zinc/76/02/75/388760275.db2.gz VNJFOPSOMNNFQL-CYBMUJFWSA-N 1 0 228.339 3.476 40 0 BGABRO CCn1c([C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000095098040 188187349 /nfs/dbraw/zinc/18/73/49/188187349.db2.gz ZMDHMSFKFXJZEG-CYBMUJFWSA-N 1 0 228.339 3.128 40 0 BGABRO CCn1c([C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000095098041 385011056 /nfs/dbraw/zinc/01/10/56/385011056.db2.gz ZMDHMSFKFXJZEG-ZDUSSCGKSA-N 1 0 228.339 3.128 40 0 BGABRO CCn1c(C2CC[NH2+]CC2)cc2ccccc21 ZINC000095098044 172143595 /nfs/dbraw/zinc/14/35/95/172143595.db2.gz MNJXAIPRIROTRF-UHFFFAOYSA-N 1 0 228.339 3.128 40 0 BGABRO CC[C@@H](C(=O)c1ccccc1C)[NH+]1CCCC1 ZINC000095215386 388760990 /nfs/dbraw/zinc/76/09/90/388760990.db2.gz RZXMFZFHBTYBOE-AWEZNQCLSA-N 1 0 231.339 3.052 40 0 in-vitro BGABRO CC[C@H](C(=O)c1ccccc1C)[NH+]1CCCC1 ZINC000095215387 171242009 /nfs/dbraw/zinc/24/20/09/171242009.db2.gz RZXMFZFHBTYBOE-CQSZACIVSA-N 1 0 231.339 3.052 40 0 in-vitro BGABRO Cc1[nH+]c2cc(Cl)ccc2c(N)c1C ZINC000095534950 180079875 /nfs/dbraw/zinc/07/98/75/180079875.db2.gz PNSFYAWPTXBGSF-UHFFFAOYSA-N 1 0 206.676 3.087 40 0 BGABRO Cc1[nH+]c2cc(C(F)(F)F)ccc2c(N)c1C ZINC000095534953 180077722 /nfs/dbraw/zinc/07/77/22/180077722.db2.gz JYFJEQQGGIIBDW-UHFFFAOYSA-N 1 0 240.228 3.453 40 0 BGABRO Cc1[nH+]c2ccc(C(F)(F)F)cc2c(N)c1C ZINC000095534956 180091527 /nfs/dbraw/zinc/09/15/27/180091527.db2.gz KCNXUEDTYZJRIS-UHFFFAOYSA-N 1 0 240.228 3.453 40 0 BGABRO COc1ccc2c(c1)[nH+]c(C)c(C(C)C)c2N ZINC000095534971 175204363 /nfs/dbraw/zinc/20/43/63/175204363.db2.gz SYXIFOWFHAJFRO-UHFFFAOYSA-N 1 0 230.311 3.257 40 0 BGABRO c1ccc(CN2CO[C@@H]3CCCCC[C@@H]32)cc1 ZINC000095568314 384380888 /nfs/dbraw/zinc/38/08/88/384380888.db2.gz VYAKLPPTHQZAFD-LSDHHAIUSA-N 1 0 231.339 3.178 40 0 BGABRO c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000095642522 384388544 /nfs/dbraw/zinc/38/85/44/384388544.db2.gz TZXWQOSUDSSVMQ-INIZCTEOSA-N 1 0 238.334 3.071 40 0 BGABRO c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000095642523 384387067 /nfs/dbraw/zinc/38/70/67/384387067.db2.gz TZXWQOSUDSSVMQ-MRXNPFEDSA-N 1 0 238.334 3.071 40 0 BGABRO C[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000095683442 256634284 /nfs/dbraw/zinc/63/42/84/256634284.db2.gz LNAPOOBGPIVJHX-LURJTMIESA-N 1 0 221.247 3.318 40 0 BGABRO CCC[C@@H](C(=O)c1cccs1)[NH+]1CCCC1 ZINC000095705103 169347907 /nfs/dbraw/zinc/34/79/07/169347907.db2.gz OOSRPGUQJAKBLV-NSHDSACASA-N 1 0 237.368 3.195 40 0 in-vitro BGABRO CCC[C@H](C(=O)c1cccs1)[NH+]1CCCC1 ZINC000095705105 384390475 /nfs/dbraw/zinc/39/04/75/384390475.db2.gz OOSRPGUQJAKBLV-LLVKDONJSA-N 1 0 237.368 3.195 40 0 in-vitro BGABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C=O)cc1F ZINC000095738667 176073127 /nfs/dbraw/zinc/07/31/27/176073127.db2.gz FZUCEGHGLBBWPZ-LLVKDONJSA-N 1 0 235.302 3.013 40 0 BGABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C=O)cc1F ZINC000095738669 177076832 /nfs/dbraw/zinc/07/68/32/177076832.db2.gz FZUCEGHGLBBWPZ-NSHDSACASA-N 1 0 235.302 3.013 40 0 BGABRO C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C=O ZINC000095738683 176072727 /nfs/dbraw/zinc/07/27/27/176072727.db2.gz IDSUAJJRAGIZGW-LLVKDONJSA-N 1 0 235.302 3.013 40 0 BGABRO C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C=O ZINC000095738684 177076109 /nfs/dbraw/zinc/07/61/09/177076109.db2.gz IDSUAJJRAGIZGW-NSHDSACASA-N 1 0 235.302 3.013 40 0 BGABRO O=Cc1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000095738934 387004694 /nfs/dbraw/zinc/00/46/94/387004694.db2.gz GXOILHHMFKWKCT-UHFFFAOYSA-N 1 0 235.302 3.014 40 0 BGABRO O=Cc1ccc(F)cc1C[NH+]1CCCCCC1 ZINC000095738937 387004900 /nfs/dbraw/zinc/00/49/00/387004900.db2.gz JBCCFCPKWFJSIJ-UHFFFAOYSA-N 1 0 235.302 3.014 40 0 BGABRO CCCC[N@H+](CC)Cc1ccc(C=O)cc1 ZINC000095739447 168799776 /nfs/dbraw/zinc/79/97/76/168799776.db2.gz AVUNSUSOPZQCDW-UHFFFAOYSA-N 1 0 219.328 3.121 40 0 BGABRO CCCC[N@H+](CC)Cc1cccc(C=O)c1 ZINC000095739448 387005015 /nfs/dbraw/zinc/00/50/15/387005015.db2.gz XPKNCXAUXAZULO-UHFFFAOYSA-N 1 0 219.328 3.121 40 0 BGABRO CCCC[N@H+](CC)Cc1ccccc1C=O ZINC000095739449 387005116 /nfs/dbraw/zinc/00/51/16/387005116.db2.gz UINSEZQZQJAPRP-UHFFFAOYSA-N 1 0 219.328 3.121 40 0 BGABRO CC(C)[NH+](Cc1ccccc1C=O)C(C)C ZINC000095739683 387004367 /nfs/dbraw/zinc/00/43/67/387004367.db2.gz LLKZHYGBQWKPQW-UHFFFAOYSA-N 1 0 219.328 3.118 40 0 BGABRO C[N@H+](Cc1ccc(C=O)cc1)C1CCCCC1 ZINC000095739689 387004121 /nfs/dbraw/zinc/00/41/21/387004121.db2.gz KNQBCAVQYJHFGC-UHFFFAOYSA-N 1 0 231.339 3.264 40 0 BGABRO C[N@H+](Cc1cccc(C=O)c1)C1CCCCC1 ZINC000095739691 387004416 /nfs/dbraw/zinc/00/44/16/387004416.db2.gz VOXVUCHSMCDAID-UHFFFAOYSA-N 1 0 231.339 3.264 40 0 BGABRO C[N@H+](Cc1ccccc1C=O)C1CCCCC1 ZINC000095739692 387004206 /nfs/dbraw/zinc/00/42/06/387004206.db2.gz GHDFVFQSZLXYFI-UHFFFAOYSA-N 1 0 231.339 3.264 40 0 BGABRO CCC[NH+](CCC)Cc1ccccc1C=O ZINC000095739693 169148727 /nfs/dbraw/zinc/14/87/27/169148727.db2.gz ZWMFRSYYODTZBJ-UHFFFAOYSA-N 1 0 219.328 3.121 40 0 BGABRO CC(C)[NH+](Cc1cccc(C=O)c1)C(C)C ZINC000095740102 188016023 /nfs/dbraw/zinc/01/60/23/188016023.db2.gz GTYJQRKETATWAK-UHFFFAOYSA-N 1 0 219.328 3.118 40 0 BGABRO CCCCCCC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095741183 384390599 /nfs/dbraw/zinc/39/05/99/384390599.db2.gz BYYREEOEGVJVBN-CQSZACIVSA-N 1 0 233.355 3.096 40 0 BGABRO CCCCCCC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095741184 384390546 /nfs/dbraw/zinc/39/05/46/384390546.db2.gz BYYREEOEGVJVBN-AWEZNQCLSA-N 1 0 233.355 3.096 40 0 BGABRO c1ccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908502 384404642 /nfs/dbraw/zinc/40/46/42/384404642.db2.gz ZRNACQREEIWUAE-QYJAPNMZSA-N 1 0 219.353 3.062 40 0 BGABRO C1C[C@H]2CC(SC3CCCCC3)C[C@@H]1[NH2+]2 ZINC000095908590 188321461 /nfs/dbraw/zinc/32/14/61/188321461.db2.gz DDNWRACFKWKPGT-QYJAPNMZSA-N 1 0 225.401 3.335 40 0 BGABRO c1ccc(CSC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908593 384407619 /nfs/dbraw/zinc/40/76/19/384407619.db2.gz PXLTVUCWNWMERR-PBWFPOADSA-N 1 0 233.380 3.203 40 0 BGABRO C(CC1CC[NH2+]CC1)SC1CCCCC1 ZINC000095908633 384407034 /nfs/dbraw/zinc/40/70/34/384407034.db2.gz MZALWMJKFMYQCM-UHFFFAOYSA-N 1 0 227.417 3.442 40 0 BGABRO CC(C)C[C@@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000095931907 385731060 /nfs/dbraw/zinc/73/10/60/385731060.db2.gz UOZWZANRCOALQL-HNNXBMFYSA-N 1 0 245.366 3.380 40 0 in-vitro BGABRO CC(C)C[C@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000095931908 385730434 /nfs/dbraw/zinc/73/04/34/385730434.db2.gz UOZWZANRCOALQL-OAHLLOKOSA-N 1 0 245.366 3.380 40 0 in-vitro BGABRO c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000095938315 384417037 /nfs/dbraw/zinc/41/70/37/384417037.db2.gz LJPFYXCQPUZKQA-HNNXBMFYSA-N 1 0 238.334 3.071 40 0 BGABRO c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000095938316 384417191 /nfs/dbraw/zinc/41/71/91/384417191.db2.gz LJPFYXCQPUZKQA-OAHLLOKOSA-N 1 0 238.334 3.071 40 0 BGABRO C[C@]12C[C@@H](c3ccccc3)[NH2+][C@H]1CCCCC2=O ZINC000095951597 177484284 /nfs/dbraw/zinc/48/42/84/177484284.db2.gz PPXKELKJUPTJOI-DZKIICNBSA-N 1 0 243.350 3.239 40 0 BGABRO C[C@H]([NH3+])c1ccc(-c2ccsc2)s1 ZINC000096034677 384427298 /nfs/dbraw/zinc/42/72/98/384427298.db2.gz OVIFBSAOZSXSGN-ZETCQYMHSA-N 1 0 209.339 3.496 40 0 BGABRO C[C@@H]([NH3+])c1ccc(-c2ccsc2)s1 ZINC000096034678 384426565 /nfs/dbraw/zinc/42/65/65/384426565.db2.gz OVIFBSAOZSXSGN-SSDOTTSWSA-N 1 0 209.339 3.496 40 0 BGABRO c1ccc2c(c1)NC[C@H]1C[N@@H+](C3CCCC3)C[C@H]21 ZINC000096058362 398312377 /nfs/dbraw/zinc/31/23/77/398312377.db2.gz ZFLBSCNSXDOBSV-WFASDCNBSA-N 1 0 242.366 3.070 40 0 BGABRO [NH3+]Cc1cc(Cl)cc(Cl)c1Cl ZINC000096125915 385908897 /nfs/dbraw/zinc/90/88/97/385908897.db2.gz KHZMVRAHUYZKEK-UHFFFAOYSA-N 1 0 210.491 3.106 40 0 BGABRO CCO[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC000096241835 388616421 /nfs/dbraw/zinc/61/64/21/388616421.db2.gz QXWUCDJEYHHTQJ-OAHLLOKOSA-N 1 0 245.366 3.098 40 0 BGABRO CCO[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC000096241836 388615821 /nfs/dbraw/zinc/61/58/21/388615821.db2.gz QXWUCDJEYHHTQJ-HNNXBMFYSA-N 1 0 245.366 3.098 40 0 BGABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1cccc[n+]1C ZINC000096305683 188321102 /nfs/dbraw/zinc/32/11/02/188321102.db2.gz JYORBCOFUXHIJO-RBSFLKMASA-N 1 0 248.390 3.351 40 0 BGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1cccc[n+]1C ZINC000096305684 384452228 /nfs/dbraw/zinc/45/22/28/384452228.db2.gz JYORBCOFUXHIJO-RRFJBIMHSA-N 1 0 248.390 3.351 40 0 BGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc[n+]1C ZINC000096305685 384453755 /nfs/dbraw/zinc/45/37/55/384453755.db2.gz JYORBCOFUXHIJO-QLFBSQMISA-N 1 0 248.390 3.351 40 0 BGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1cccc[n+]1C ZINC000096305686 188500529 /nfs/dbraw/zinc/50/05/29/188500529.db2.gz JYORBCOFUXHIJO-SOUVJXGZSA-N 1 0 248.390 3.351 40 0 BGABRO Clc1ccccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311662 384880170 /nfs/dbraw/zinc/88/01/70/384880170.db2.gz YMIHILFVAROGJM-FGWVZKOKSA-N 1 0 221.731 3.338 40 0 BGABRO Clc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311665 384881039 /nfs/dbraw/zinc/88/10/39/384881039.db2.gz VRGZFUGSTABPCD-VGPLMAKISA-N 1 0 221.731 3.338 40 0 BGABRO CCOc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311667 360347998 /nfs/dbraw/zinc/34/79/98/360347998.db2.gz GGMSGOSWLBXVML-AGUYFDCRSA-N 1 0 231.339 3.083 40 0 BGABRO Clc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000096311669 384881174 /nfs/dbraw/zinc/88/11/74/384881174.db2.gz JUJUATKSPQKNGE-VGPLMAKISA-N 1 0 221.731 3.338 40 0 BGABRO Cc1cccc(C)c1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311673 343668139 /nfs/dbraw/zinc/66/81/39/343668139.db2.gz DSZNWOWSTUZGRU-AGUYFDCRSA-N 1 0 215.340 3.301 40 0 BGABRO COc1ccc(C)cc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311682 347279621 /nfs/dbraw/zinc/27/96/21/347279621.db2.gz PCIZCAXZCGKWDR-YHWZYXNKSA-N 1 0 231.339 3.002 40 0 BGABRO Fc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000096311687 343668380 /nfs/dbraw/zinc/66/83/80/343668380.db2.gz AGWCPJFNSZKOSY-FGWVZKOKSA-N 1 0 239.721 3.477 40 0 BGABRO Cc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000096311688 347279399 /nfs/dbraw/zinc/27/93/99/347279399.db2.gz FPGKMEUOABRZLX-YHWZYXNKSA-N 1 0 219.303 3.132 40 0 BGABRO Cc1cc(F)ccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311689 347279777 /nfs/dbraw/zinc/27/97/77/347279777.db2.gz DWODOFSGRZFXQL-VGPLMAKISA-N 1 0 219.303 3.132 40 0 BGABRO Fc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(F)c1F ZINC000096311693 343668167 /nfs/dbraw/zinc/66/81/67/343668167.db2.gz SVGMWTWHAZQNQX-RSMPGPOFSA-N 1 0 241.256 3.102 40 0 BGABRO Fc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000096311695 343668149 /nfs/dbraw/zinc/66/81/49/343668149.db2.gz NHHPVDOJCUDXFG-FGWVZKOKSA-N 1 0 239.721 3.477 40 0 BGABRO Fc1cc(Cl)ccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311702 347279700 /nfs/dbraw/zinc/27/97/00/347279700.db2.gz NIFHCXWTWOFZRU-UQPYNNQESA-N 1 0 239.721 3.477 40 0 BGABRO Cc1ccc(F)cc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311706 347279864 /nfs/dbraw/zinc/27/98/64/347279864.db2.gz LPVBIIKYFFNRGN-VGPLMAKISA-N 1 0 219.303 3.132 40 0 BGABRO Cc1ccc(F)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311707 347279788 /nfs/dbraw/zinc/27/97/88/347279788.db2.gz HPZRHBOEUDDUOX-YOGCLGLASA-N 1 0 219.303 3.132 40 0 BGABRO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000096311708 347279751 /nfs/dbraw/zinc/27/97/51/347279751.db2.gz GXJSIQJOWCEPIC-YHWZYXNKSA-N 1 0 219.303 3.132 40 0 BGABRO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000096311709 343668315 /nfs/dbraw/zinc/66/83/15/343668315.db2.gz CXRSQCGVNMWKCE-YOGCLGLASA-N 1 0 219.303 3.132 40 0 BGABRO Cc1ccc(C)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311710 347279717 /nfs/dbraw/zinc/27/97/17/347279717.db2.gz LZMRWJWYKAMKOA-AGUYFDCRSA-N 1 0 215.340 3.301 40 0 BGABRO Cc1cc(C)cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311711 347279414 /nfs/dbraw/zinc/27/94/14/347279414.db2.gz HMKIFXGOXRNSJP-GOOCMWNKSA-N 1 0 215.340 3.301 40 0 BGABRO Cc1ccsc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311714 386596370 /nfs/dbraw/zinc/59/63/70/386596370.db2.gz NKXWPIGBASFQOD-FGWVZKOKSA-N 1 0 207.342 3.055 40 0 BGABRO Cc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000096311717 347279402 /nfs/dbraw/zinc/27/94/02/347279402.db2.gz IRXHYAHHNNWBIW-AGUYFDCRSA-N 1 0 215.340 3.301 40 0 BGABRO COc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000096311719 347279474 /nfs/dbraw/zinc/27/94/74/347279474.db2.gz QRJXRYYVQPCVTR-YHWZYXNKSA-N 1 0 231.339 3.002 40 0 BGABRO Fc1cc(F)c(F)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311725 343668376 /nfs/dbraw/zinc/66/83/76/343668376.db2.gz BQINHWSYIHUKRY-RSMPGPOFSA-N 1 0 241.256 3.102 40 0 BGABRO Fc1cc(F)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000096311726 343668295 /nfs/dbraw/zinc/66/82/95/343668295.db2.gz PSICYLALTLJLFJ-CBLAIPOGSA-N 1 0 241.256 3.102 40 0 BGABRO Fc1ccc(F)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC000096311727 343668351 /nfs/dbraw/zinc/66/83/51/343668351.db2.gz DYDKGUZLFZWSSP-CBLAIPOGSA-N 1 0 241.256 3.102 40 0 BGABRO COc1c(C)cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000096311731 343668145 /nfs/dbraw/zinc/66/81/45/343668145.db2.gz FWJVQLAGDVNHKT-GOOCMWNKSA-N 1 0 245.366 3.310 40 0 BGABRO CCOc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000096311733 343668146 /nfs/dbraw/zinc/66/81/46/343668146.db2.gz HITGJSQBVNSBAM-AGUYFDCRSA-N 1 0 245.366 3.392 40 0 BGABRO Fc1cccc(Cl)c1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311734 347279723 /nfs/dbraw/zinc/27/97/23/347279723.db2.gz LASQXZRDMDRMFI-PBINXNQUSA-N 1 0 239.721 3.477 40 0 BGABRO Fc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000096311735 343668404 /nfs/dbraw/zinc/66/84/04/343668404.db2.gz SUGDOLQBHGQCSM-UQPYNNQESA-N 1 0 239.721 3.477 40 0 BGABRO Fc1cc(Cl)cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311736 343668389 /nfs/dbraw/zinc/66/83/89/343668389.db2.gz IPVBDIRFLVTYPL-MVCUKOFQSA-N 1 0 239.721 3.477 40 0 BGABRO Fc1ccc(Cl)cc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311741 343668342 /nfs/dbraw/zinc/66/83/42/343668342.db2.gz YBADCWVHADRFHZ-UQPYNNQESA-N 1 0 239.721 3.477 40 0 BGABRO Fc1ccc(Cl)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311743 347279432 /nfs/dbraw/zinc/27/94/32/347279432.db2.gz MZAJFLWTHVPJHH-UQPYNNQESA-N 1 0 239.721 3.477 40 0 BGABRO Cc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC000096311748 347279644 /nfs/dbraw/zinc/27/96/44/347279644.db2.gz JNCZSVYELZLNRC-YOGCLGLASA-N 1 0 219.303 3.132 40 0 BGABRO COc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000096311754 343668441 /nfs/dbraw/zinc/66/84/41/343668441.db2.gz KOYAYQBEFYSZCM-AGUYFDCRSA-N 1 0 231.339 3.002 40 0 BGABRO CC(C)c1ccc(COC2CC3(C[NH2+]C3)C2)cc1 ZINC000096509068 385237139 /nfs/dbraw/zinc/23/71/39/385237139.db2.gz ONOFYOJJERELCZ-UHFFFAOYSA-N 1 0 245.366 3.079 40 0 BGABRO Cc1c2cccc([C@@H]3CCC[NH2+]3)c2n(C)c1C ZINC000096509769 385246339 /nfs/dbraw/zinc/24/63/39/385246339.db2.gz XNYSVWFADMNCRT-AWEZNQCLSA-N 1 0 228.339 3.220 40 0 BGABRO Cc1c2cccc([C@H]3CCC[NH2+]3)c2n(C)c1C ZINC000096509770 385247366 /nfs/dbraw/zinc/24/73/66/385247366.db2.gz XNYSVWFADMNCRT-CQSZACIVSA-N 1 0 228.339 3.220 40 0 BGABRO CC(C)[N@@H+]1CCc2nc(Cl)c(Cl)cc2C1 ZINC000096510619 167027185 /nfs/dbraw/zinc/02/71/85/167027185.db2.gz KGMMVJIVQZQDPH-UHFFFAOYSA-N 1 0 245.153 3.155 40 0 BGABRO [NH3+]C[C@H]1CCCCN1CCCC1CCCCC1 ZINC000096523590 385269256 /nfs/dbraw/zinc/26/92/56/385269256.db2.gz BCRIJDIBMVMVFK-OAHLLOKOSA-N 1 0 238.419 3.160 40 0 BGABRO [NH3+]C[C@@H]1CCCCN1CCCC1CCCCC1 ZINC000096523591 385267697 /nfs/dbraw/zinc/26/76/97/385267697.db2.gz BCRIJDIBMVMVFK-HNNXBMFYSA-N 1 0 238.419 3.160 40 0 BGABRO CCC[N@H+](Cc1ccco1)Cc1ccccc1N ZINC000096523733 385267079 /nfs/dbraw/zinc/26/70/79/385267079.db2.gz UKARBUWDPPNTOJ-UHFFFAOYSA-N 1 0 244.338 3.274 40 0 BGABRO CCCCN(Cc1ccco1)C[C@H]([NH3+])CCC ZINC000096523977 385271320 /nfs/dbraw/zinc/27/13/20/385271320.db2.gz PPUVDLXJBGAJFA-CYBMUJFWSA-N 1 0 238.375 3.009 40 0 BGABRO CCCCN(Cc1ccco1)C[C@@H]([NH3+])CCC ZINC000096523978 385272716 /nfs/dbraw/zinc/27/27/16/385272716.db2.gz PPUVDLXJBGAJFA-ZDUSSCGKSA-N 1 0 238.375 3.009 40 0 BGABRO c1ccc2c(c1)C[C@H](C[NH+]1CCCCCCC1)N2 ZINC000096524010 385271852 /nfs/dbraw/zinc/27/18/52/385271852.db2.gz JFOUMSRHFGNBTG-OAHLLOKOSA-N 1 0 244.382 3.289 40 0 BGABRO c1ccc2c(c1)C[C@@H](C[NH+]1CCCCCCC1)N2 ZINC000096524011 385271247 /nfs/dbraw/zinc/27/12/47/385271247.db2.gz JFOUMSRHFGNBTG-HNNXBMFYSA-N 1 0 244.382 3.289 40 0 BGABRO CCC[NH+](CCC)C[C@@H]1Cc2ccccc2N1 ZINC000096524018 169149423 /nfs/dbraw/zinc/14/94/23/169149423.db2.gz CUUONVHYNORYST-AWEZNQCLSA-N 1 0 232.371 3.145 40 0 BGABRO CCC[NH+](CCC)C[C@H]1Cc2ccccc2N1 ZINC000096524019 169149483 /nfs/dbraw/zinc/14/94/83/169149483.db2.gz CUUONVHYNORYST-CQSZACIVSA-N 1 0 232.371 3.145 40 0 BGABRO C[N@H+](C[C@@H]1Cc2ccccc2N1)C1CCCCC1 ZINC000096524020 385272277 /nfs/dbraw/zinc/27/22/77/385272277.db2.gz FUOMHZSXNNWNNP-AWEZNQCLSA-N 1 0 244.382 3.288 40 0 BGABRO C[N@H+](C[C@H]1Cc2ccccc2N1)C1CCCCC1 ZINC000096524021 385272240 /nfs/dbraw/zinc/27/22/40/385272240.db2.gz FUOMHZSXNNWNNP-CQSZACIVSA-N 1 0 244.382 3.288 40 0 BGABRO Fc1ccc([C@@H]2C[NH2+]Cc3ccccc3C2)cc1 ZINC000096524350 385273581 /nfs/dbraw/zinc/27/35/81/385273581.db2.gz VLWUIZVVMRHMOL-HNNXBMFYSA-N 1 0 241.309 3.255 40 0 BGABRO Fc1ccc([C@H]2C[NH2+]Cc3ccccc3C2)cc1 ZINC000096524351 180983126 /nfs/dbraw/zinc/98/31/26/180983126.db2.gz VLWUIZVVMRHMOL-OAHLLOKOSA-N 1 0 241.309 3.255 40 0 BGABRO c1ccc([C@H]2C[NH2+]Cc3ccccc3C2)cc1 ZINC000096524358 183433104 /nfs/dbraw/zinc/43/31/04/183433104.db2.gz MTEWJVDGXIFGTM-MRXNPFEDSA-N 1 0 223.319 3.116 40 0 BGABRO c1ccc([C@@H]2C[NH2+]Cc3ccccc3C2)cc1 ZINC000096524359 385275626 /nfs/dbraw/zinc/27/56/26/385275626.db2.gz MTEWJVDGXIFGTM-INIZCTEOSA-N 1 0 223.319 3.116 40 0 BGABRO C[C@@H]1C[NH2+]Cc2c(Cl)cc(Cl)cc21 ZINC000096526136 176330785 /nfs/dbraw/zinc/33/07/85/176330785.db2.gz BWSXMHXSVYWVGS-ZCFIWIBFSA-N 1 0 216.111 3.200 40 0 BGABRO C[C@H]1C[NH2+]Cc2c(Cl)cc(Cl)cc21 ZINC000096526139 187456812 /nfs/dbraw/zinc/45/68/12/187456812.db2.gz BWSXMHXSVYWVGS-LURJTMIESA-N 1 0 216.111 3.200 40 0 BGABRO COc1cc(C[NH2+]C2CC2)cc2ccccc21 ZINC000096527840 385272121 /nfs/dbraw/zinc/27/21/21/385272121.db2.gz QJNDOPVQRSAWPC-UHFFFAOYSA-N 1 0 227.307 3.100 40 0 BGABRO CCOc1cc(C[NH2+]C2CC2)cc2ccccc21 ZINC000096527842 385270738 /nfs/dbraw/zinc/27/07/38/385270738.db2.gz GZZCJKJEVIPRMM-UHFFFAOYSA-N 1 0 241.334 3.491 40 0 BGABRO C(=C\c1ccccc1)\C[NH2+]Cc1ccccc1 ZINC000096822660 166227682 /nfs/dbraw/zinc/22/76/82/166227682.db2.gz RVJFXBCWUZCHPO-GHXNOFRVSA-N 1 0 223.319 3.490 40 0 BGABRO [NH3+]CC1(Cc2ccccc2C(F)(F)F)CCC1 ZINC000098214075 181360574 /nfs/dbraw/zinc/36/05/74/181360574.db2.gz LCIUCEDCFIVNHF-UHFFFAOYSA-N 1 0 243.272 3.377 40 0 BGABRO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCC1 ZINC000098214080 181332968 /nfs/dbraw/zinc/33/29/68/181332968.db2.gz QVPWGZQIXOINQS-UHFFFAOYSA-N 1 0 229.245 3.129 40 0 BGABRO CC(C)(C[NH3+])Cc1ccccc1C(F)(F)F ZINC000098214102 384606926 /nfs/dbraw/zinc/60/69/26/384606926.db2.gz ORMUXFOOQPVATP-UHFFFAOYSA-N 1 0 231.261 3.233 40 0 BGABRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)CC1 ZINC000100224684 177193451 /nfs/dbraw/zinc/19/34/51/177193451.db2.gz VNWCMZIKLFWDSD-MQMHXKEQSA-N 1 0 203.329 3.355 40 0 BGABRO Cc1cc(C(C)(C)C)cc(C)c1C=C1NCC[NH2+]1 ZINC000100320438 384476769 /nfs/dbraw/zinc/47/67/69/384476769.db2.gz WBQNACQYTWYZCO-UHFFFAOYSA-N 1 0 244.382 3.092 40 0 BGABRO Cc1[nH+]c(-c2cccc(Cl)c2)c(N)n1C1CC1 ZINC000100761367 384653310 /nfs/dbraw/zinc/65/33/10/384653310.db2.gz ZBTWLYJHZDEGBA-UHFFFAOYSA-N 1 0 247.729 3.429 40 0 BGABRO CCN(Cc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]C ZINC000101680101 346026071 /nfs/dbraw/zinc/02/60/71/346026071.db2.gz PCWRYKOPEHXTFB-CVEARBPZSA-N 1 0 246.398 3.039 40 0 BGABRO [NH2+]=C1CCCN1c1cccc(C(F)(F)F)c1 ZINC000101829355 181206183 /nfs/dbraw/zinc/20/61/83/181206183.db2.gz FQPYYMKOGVKTPK-UHFFFAOYSA-N 1 0 228.217 3.283 40 0 BGABRO CCCCN1C=C(C)[N@@H+](CCCC)CC1 ZINC000104319459 384822214 /nfs/dbraw/zinc/82/22/14/384822214.db2.gz ZUYLDNLAKSVUKK-UHFFFAOYSA-N 1 0 210.365 3.066 40 0 BGABRO CC(C)[NH+](Cc1ccc(Cl)nc1)C(C)C ZINC000104764114 385019489 /nfs/dbraw/zinc/01/94/89/385019489.db2.gz NSHLPZNBZQNFFY-UHFFFAOYSA-N 1 0 226.751 3.354 40 0 BGABRO C#[N+]c1ccccc1C(=O)c1ccccc1 ZINC000104899364 183317562 /nfs/dbraw/zinc/31/75/62/183317562.db2.gz PZWQSPGETWGKPS-UHFFFAOYSA-N 1 0 207.232 3.468 40 0 BGABRO Cc1ccc2nc(-c3ccccc3F)cn2c1 ZINC000105689966 343785792 /nfs/dbraw/zinc/78/57/92/343785792.db2.gz QYNFYZIMAREBRW-UHFFFAOYSA-N 1 0 226.254 3.449 40 0 BGABRO Cc1ccc2nc(-c3cccc(F)c3)cn2c1 ZINC000105941033 343785852 /nfs/dbraw/zinc/78/58/52/343785852.db2.gz XJRAQVXPKFDBDK-UHFFFAOYSA-N 1 0 226.254 3.449 40 0 BGABRO [NH3+][C@@H](c1ccncc1)C1CCCCCC1 ZINC000107146165 384951855 /nfs/dbraw/zinc/95/18/55/384951855.db2.gz MCGMAECCGNAYLS-CYBMUJFWSA-N 1 0 204.317 3.052 40 0 BGABRO [NH3+][C@H](c1ccncc1)C1CCCCCC1 ZINC000107146170 181634957 /nfs/dbraw/zinc/63/49/57/181634957.db2.gz MCGMAECCGNAYLS-ZDUSSCGKSA-N 1 0 204.317 3.052 40 0 BGABRO [NH3+][C@@H](c1ccccn1)C1CCCCCC1 ZINC000107146177 384952390 /nfs/dbraw/zinc/95/23/90/384952390.db2.gz VWHOJZFZYRQGHE-CYBMUJFWSA-N 1 0 204.317 3.052 40 0 BGABRO [NH3+][C@H](c1ccccn1)C1CCCCCC1 ZINC000107146180 384951931 /nfs/dbraw/zinc/95/19/31/384951931.db2.gz VWHOJZFZYRQGHE-ZDUSSCGKSA-N 1 0 204.317 3.052 40 0 BGABRO Cc1cccn2cc(-c3cccc(F)c3)nc12 ZINC000107875865 343785754 /nfs/dbraw/zinc/78/57/54/343785754.db2.gz DEZQIYPJKGSBQQ-UHFFFAOYSA-N 1 0 226.254 3.449 40 0 BGABRO COc1ccc2ccccc2c1[C@@H]1C[C@@H]1[C@H](C)[NH3+] ZINC000108350497 369390765 /nfs/dbraw/zinc/39/07/65/369390765.db2.gz RAGZGTJZPACCCG-ZLKJLUDKSA-N 1 0 241.334 3.299 40 0 BGABRO COc1ccc2ccccc2c1[C@@H]1C[C@H]1[C@H](C)[NH3+] ZINC000108350500 369390555 /nfs/dbraw/zinc/39/05/55/369390555.db2.gz RAGZGTJZPACCCG-LEWSCRJBSA-N 1 0 241.334 3.299 40 0 BGABRO Fc1cc(Cl)cc([C@@H]2CCCC[NH2+]2)c1 ZINC000108383237 259345854 /nfs/dbraw/zinc/34/58/54/259345854.db2.gz FTAXWCKZGYGUSF-NSHDSACASA-N 1 0 213.683 3.294 40 0 BGABRO Fc1cc(Cl)cc([C@H]2CCCC[NH2+]2)c1 ZINC000108383239 259345958 /nfs/dbraw/zinc/34/59/58/259345958.db2.gz FTAXWCKZGYGUSF-LLVKDONJSA-N 1 0 213.683 3.294 40 0 BGABRO CC(C)C[NH2+]Cc1cccn1-c1ccccc1 ZINC000113704097 167010824 /nfs/dbraw/zinc/01/08/24/167010824.db2.gz AUKHCPPRUJCEDC-UHFFFAOYSA-N 1 0 228.339 3.223 40 0 BGABRO CC[NH2+]Cc1cccn1-c1ccc(Cl)cc1 ZINC000113704126 170129264 /nfs/dbraw/zinc/12/92/64/170129264.db2.gz HDVBHWBUUXVNAF-UHFFFAOYSA-N 1 0 234.730 3.240 40 0 BGABRO O=C1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000113930712 368305446 /nfs/dbraw/zinc/30/54/46/368305446.db2.gz CYUQPAZKDNVYTO-UHFFFAOYSA-N 1 0 243.350 3.022 40 0 BGABRO [NH3+][C@@H]1CC2(CCC2)Sc2ccccc21 ZINC000114236606 181572540 /nfs/dbraw/zinc/57/25/40/181572540.db2.gz CKDGDFKMPGOFJM-SNVBAGLBSA-N 1 0 205.326 3.105 40 0 BGABRO [NH3+][C@H]1CC2(CCC2)Sc2ccccc21 ZINC000114236608 384029141 /nfs/dbraw/zinc/02/91/41/384029141.db2.gz CKDGDFKMPGOFJM-JTQLQIEISA-N 1 0 205.326 3.105 40 0 BGABRO FC1(F)CCC([NH2+]C2CCCCC2)CC1 ZINC000115000607 355836912 /nfs/dbraw/zinc/83/69/12/355836912.db2.gz RBEJGFGUIXFHPA-UHFFFAOYSA-N 1 0 217.303 3.487 40 0 BGABRO CC1(C)C[NH+](Cc2ccccc2)CC(C)(C)O1 ZINC000117953607 344766000 /nfs/dbraw/zinc/76/60/00/344766000.db2.gz YWWSXJXYWUCXDZ-UHFFFAOYSA-N 1 0 233.355 3.076 40 0 BGABRO Cc1ccc([C@H]([NH3+])C2CCC(C)CC2)o1 ZINC000123472179 384561995 /nfs/dbraw/zinc/56/19/95/384561995.db2.gz ZIYAUJODRBQKCP-QEIKUCIBSA-N 1 0 207.317 3.414 40 0 BGABRO Cc1ccc([C@@H]([NH3+])C2CCC(C)CC2)o1 ZINC000123472422 384560981 /nfs/dbraw/zinc/56/09/81/384560981.db2.gz ZIYAUJODRBQKCP-OCTTZUBCSA-N 1 0 207.317 3.414 40 0 BGABRO CCC(CC)C[C@H]([NH3+])c1cccc(C)n1 ZINC000128100705 168367321 /nfs/dbraw/zinc/36/73/21/168367321.db2.gz SGMLSVJIJMPIAP-LBPRGKRZSA-N 1 0 206.333 3.216 40 0 BGABRO CCC(CC)C[C@@H]([NH3+])c1cccc(C)n1 ZINC000128100967 168367623 /nfs/dbraw/zinc/36/76/23/168367623.db2.gz SGMLSVJIJMPIAP-GFCCVEGCSA-N 1 0 206.333 3.216 40 0 BGABRO CC1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000132439073 168184243 /nfs/dbraw/zinc/18/42/43/168184243.db2.gz UZVXQYQMXIUNFP-UHFFFAOYSA-N 1 0 239.746 3.278 40 0 BGABRO Oc1ccc(C[NH+]2CCCCCC2)cc1Cl ZINC000132473245 183268851 /nfs/dbraw/zinc/26/88/51/183268851.db2.gz PWNPISMNIMMSBL-UHFFFAOYSA-N 1 0 239.746 3.422 40 0 BGABRO CCC[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000135120516 169277911 /nfs/dbraw/zinc/27/79/11/169277911.db2.gz OJZFMHVBYSKCPD-LBPRGKRZSA-N 1 0 237.343 3.155 40 0 BGABRO CCC[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000135120533 169288977 /nfs/dbraw/zinc/28/89/77/169288977.db2.gz OJZFMHVBYSKCPD-GFCCVEGCSA-N 1 0 237.343 3.155 40 0 BGABRO Cc1cccc(-c2cn3c(n2)C[C@H](C)CC3)c1 ZINC000135890230 384470727 /nfs/dbraw/zinc/47/07/27/384470727.db2.gz YCBAAHIRUVDFCG-GFCCVEGCSA-N 1 0 226.323 3.441 40 0 BGABRO O=C1[O+]=NSC1c1ccc(C(F)(F)F)cc1 ZINC000137077580 345575976 /nfs/dbraw/zinc/57/59/76/345575976.db2.gz GEIRMWSIVOMCKI-UHFFFAOYSA-O 1 0 248.205 3.409 40 0 in-vitro BGABRO CCOCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000139716533 368347212 /nfs/dbraw/zinc/34/72/12/368347212.db2.gz PRQVCBDFWYTXDD-UHFFFAOYSA-N 1 0 247.382 3.472 40 0 in-vitro BGABRO CCOc1cccc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000150945616 387784178 /nfs/dbraw/zinc/78/41/78/387784178.db2.gz BTZPUDLCAUQOMG-GFCCVEGCSA-N 1 0 221.344 3.392 40 0 BGABRO CCOc1cccc([C@H](C)[NH2+]CC(C)C)c1 ZINC000150945659 387785485 /nfs/dbraw/zinc/78/54/85/387785485.db2.gz BTZPUDLCAUQOMG-LBPRGKRZSA-N 1 0 221.344 3.392 40 0 BGABRO CCOc1cccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000151992198 170583236 /nfs/dbraw/zinc/58/32/36/170583236.db2.gz NYMYAJUHQVJLDY-LLVKDONJSA-N 1 0 207.317 3.144 40 0 BGABRO CCOc1cccc([C@H](C)[NH2+]C(C)C)c1 ZINC000151992288 487681735 /nfs/dbraw/zinc/68/17/35/487681735.db2.gz NYMYAJUHQVJLDY-NSHDSACASA-N 1 0 207.317 3.144 40 0 BGABRO CC(C)(C[NH3+])Cc1ccc(Cl)cc1F ZINC000163521034 384820219 /nfs/dbraw/zinc/82/02/19/384820219.db2.gz FRVUKVFERCCURW-UHFFFAOYSA-N 1 0 215.699 3.007 40 0 BGABRO CCCCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000163969288 387853606 /nfs/dbraw/zinc/85/36/06/387853606.db2.gz VFKALAWDXZJBFL-UHFFFAOYSA-N 1 0 223.364 3.134 40 0 BGABRO CCC[C@H]([NH3+])c1cccc(OC)c1Cl ZINC000169726673 384693887 /nfs/dbraw/zinc/69/38/87/384693887.db2.gz HNTXEUXDCSBBLM-VIFPVBQESA-N 1 0 213.708 3.149 40 0 BGABRO CCC[C@@H]([NH3+])c1cccc(OC)c1Cl ZINC000169726674 169393682 /nfs/dbraw/zinc/39/36/82/169393682.db2.gz HNTXEUXDCSBBLM-SECBINFHSA-N 1 0 213.708 3.149 40 0 BGABRO Cc1ccc([C@H]([NH3+])C2CCC2)c(Cl)c1 ZINC000169726689 384694238 /nfs/dbraw/zinc/69/42/38/384694238.db2.gz YYCWUQYWXAXDGM-GFCCVEGCSA-N 1 0 209.720 3.448 40 0 BGABRO Cc1ccc([C@@H]([NH3+])C2CCC2)c(Cl)c1 ZINC000169726690 178857534 /nfs/dbraw/zinc/85/75/34/178857534.db2.gz YYCWUQYWXAXDGM-LBPRGKRZSA-N 1 0 209.720 3.448 40 0 BGABRO CC(C)[NH+](Cc1ccc(F)cc1)C(C)C ZINC000178739594 205642810 /nfs/dbraw/zinc/64/28/10/205642810.db2.gz YJJLYCNQPLIMEB-UHFFFAOYSA-N 1 0 209.308 3.445 40 0 BGABRO C[C@@H]([NH2+]Cc1ccccc1)[Si](C)(C)C ZINC000195758625 411196459 /nfs/dbraw/zinc/19/64/59/411196459.db2.gz IPXLCIHCPNAWJV-NSHDSACASA-N 1 0 207.393 3.042 40 0 BGABRO C[C@H]([NH2+]Cc1ccccc1)[Si](C)(C)C ZINC000195758628 176877487 /nfs/dbraw/zinc/87/74/87/176877487.db2.gz IPXLCIHCPNAWJV-LLVKDONJSA-N 1 0 207.393 3.042 40 0 BGABRO C[C@@H]([NH2+]C[Si](C)(C)C)c1ccccc1 ZINC000196956150 385519311 /nfs/dbraw/zinc/51/93/11/385519311.db2.gz ZNLUTOAUUHFXKI-LLVKDONJSA-N 1 0 207.393 3.215 40 0 BGABRO [NH3+]Cc1cnc2cc(Cl)c(F)cc2c1Cl ZINC000199523256 134215236 /nfs/dbraw/zinc/21/52/36/134215236.db2.gz NJVBLFIYOBFAPO-UHFFFAOYSA-N 1 0 245.084 3.139 40 0 BGABRO CC[NH2+]C1(c2cccc(OC)c2)CCCCC1 ZINC000199620395 368309356 /nfs/dbraw/zinc/30/93/56/368309356.db2.gz OFGOOZLOGUNDFS-UHFFFAOYSA-N 1 0 233.355 3.464 40 0 in-vitro BGABRO COCCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000202429363 490102725 /nfs/dbraw/zinc/10/27/25/490102725.db2.gz OWOACIUDSBGLMN-UHFFFAOYSA-N 1 0 247.382 3.472 40 0 in-vitro BGABRO CC(C)(C)c1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000202471060 347439308 /nfs/dbraw/zinc/43/93/08/347439308.db2.gz BSSMQHUVHBSMSA-UHFFFAOYSA-N 1 0 228.339 3.111 40 0 BGABRO Cc1ccc(C(C)(C)CC(C)(C)[NH3+])cc1 ZINC000205192805 178450206 /nfs/dbraw/zinc/45/02/06/178450206.db2.gz VZXWTWREZNSOQU-UHFFFAOYSA-N 1 0 205.345 3.400 40 0 BGABRO Cc1cc(Br)cc2c1CCC[C@@H]2[NH3+] ZINC000212474138 411147438 /nfs/dbraw/zinc/14/74/38/411147438.db2.gz KZHWVUXPBOOSIZ-NSHDSACASA-N 1 0 240.144 3.094 40 0 BGABRO Cc1cc(Br)cc2c1CCC[C@H]2[NH3+] ZINC000212474203 411147477 /nfs/dbraw/zinc/14/74/77/411147477.db2.gz KZHWVUXPBOOSIZ-LLVKDONJSA-N 1 0 240.144 3.094 40 0 BGABRO Cc1ccc([C@H](CN)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000216237814 388353946 /nfs/dbraw/zinc/35/39/46/388353946.db2.gz DTAWFXAEAUFMQG-WBMJQRKESA-N 1 0 246.398 3.035 40 0 BGABRO COc1ccc2ccccc2c1[C@@H]1C[C@@H]1[C@@H](C)[NH3+] ZINC000216244490 385029842 /nfs/dbraw/zinc/02/98/42/385029842.db2.gz RAGZGTJZPACCCG-LERXQTSPSA-N 1 0 241.334 3.299 40 0 BGABRO COc1ccc2ccccc2c1[C@@H]1C[C@H]1[C@@H](C)[NH3+] ZINC000216244533 259376729 /nfs/dbraw/zinc/37/67/29/259376729.db2.gz RAGZGTJZPACCCG-DDTOSNHZSA-N 1 0 241.334 3.299 40 0 BGABRO [NH3+]CCCc1csc(C2CCCCC2)n1 ZINC000216591904 187319282 /nfs/dbraw/zinc/31/92/82/187319282.db2.gz HDWFFPLQXAYTDR-UHFFFAOYSA-N 1 0 224.373 3.082 40 0 BGABRO CC[N@@H+]1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000217463672 388373877 /nfs/dbraw/zinc/37/38/77/388373877.db2.gz VZOWZPMJHQEGPI-QWHCGFSZSA-N 1 0 223.360 3.010 40 0 BGABRO CC[N@@H+]1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000217463765 188355487 /nfs/dbraw/zinc/35/54/87/188355487.db2.gz VZOWZPMJHQEGPI-STQMWFEESA-N 1 0 223.360 3.010 40 0 BGABRO CC[NH2+]CCO[C@H](c1ccccc1)C1CCC1 ZINC000217687717 170116089 /nfs/dbraw/zinc/11/60/89/170116089.db2.gz HIDIVMWDXADWDF-OAHLLOKOSA-N 1 0 233.355 3.154 40 0 BGABRO CC[NH2+]CCO[C@@H](c1ccccc1)C1CCC1 ZINC000217687805 170116516 /nfs/dbraw/zinc/11/65/16/170116516.db2.gz HIDIVMWDXADWDF-HNNXBMFYSA-N 1 0 233.355 3.154 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1C ZINC000218832992 386149311 /nfs/dbraw/zinc/14/93/11/386149311.db2.gz MNQCRRYZXVYRRX-HZPDHXFCSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)cc1C ZINC000218833061 386152682 /nfs/dbraw/zinc/15/26/82/386152682.db2.gz MNQCRRYZXVYRRX-JKSUJKDBSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)c(C)c1 ZINC000218833938 388393069 /nfs/dbraw/zinc/39/30/69/388393069.db2.gz HNWCWKYTGZQTHE-GDBMZVCRSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)c(C)c1 ZINC000218834023 386145861 /nfs/dbraw/zinc/14/58/61/386145861.db2.gz HNWCWKYTGZQTHE-GOEBONIOSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(C)c(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218834307 398328644 /nfs/dbraw/zinc/32/86/44/398328644.db2.gz GMNBHVKFXJWRTN-HUUCEWRRSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(C)c(N2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218834378 388393295 /nfs/dbraw/zinc/39/32/95/388393295.db2.gz GMNBHVKFXJWRTN-LSDHHAIUSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1C ZINC000218834853 386156736 /nfs/dbraw/zinc/15/67/36/386156736.db2.gz AAYVCRDDOBXSGS-GDBMZVCRSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cccc(N2CC[NH2+][C@H]3CCCC[C@H]32)c1C ZINC000218834927 386158385 /nfs/dbraw/zinc/15/83/85/386158385.db2.gz AAYVCRDDOBXSGS-GOEBONIOSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cc(C)cc(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218836965 386167174 /nfs/dbraw/zinc/16/71/74/386167174.db2.gz YNKZSHHQYRUDRO-HZPDHXFCSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cc(C)cc(N2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218837035 256852573 /nfs/dbraw/zinc/85/25/73/256852573.db2.gz YNKZSHHQYRUDRO-JKSUJKDBSA-N 1 0 244.382 3.024 40 0 BGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccccc1Cl ZINC000218858488 386303654 /nfs/dbraw/zinc/30/36/54/386303654.db2.gz JCENXKVGOVJUJE-PWSUYJOCSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1ccccc1Cl ZINC000218858545 386302554 /nfs/dbraw/zinc/30/25/54/386302554.db2.gz JCENXKVGOVJUJE-JQWIXIFHSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1ccccc1Cl ZINC000218858623 386303674 /nfs/dbraw/zinc/30/36/74/386303674.db2.gz JCENXKVGOVJUJE-ZYHUDNBSSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@H]1CCCC[C@H]1Nc1ccccc1Cl ZINC000218858696 386302043 /nfs/dbraw/zinc/30/20/43/386302043.db2.gz JCENXKVGOVJUJE-CMPLNLGQSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1cccc(Cl)c1 ZINC000218858807 386303483 /nfs/dbraw/zinc/30/34/83/386303483.db2.gz RVDPRGAWJOGKHV-NEPJUHHUSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1cccc(Cl)c1 ZINC000218858881 181640790 /nfs/dbraw/zinc/64/07/90/181640790.db2.gz RVDPRGAWJOGKHV-RYUDHWBXSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1 ZINC000218858942 386304114 /nfs/dbraw/zinc/30/41/14/386304114.db2.gz RVDPRGAWJOGKHV-VXGBXAGGSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@H]1CCCC[C@H]1Nc1cccc(Cl)c1 ZINC000218859008 386303621 /nfs/dbraw/zinc/30/36/21/386303621.db2.gz RVDPRGAWJOGKHV-NWDGAFQWSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000218859089 386303651 /nfs/dbraw/zinc/30/36/51/386303651.db2.gz HHFXAKKVLGPIST-NEPJUHHUSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000218859163 181641556 /nfs/dbraw/zinc/64/15/56/181641556.db2.gz HHFXAKKVLGPIST-RYUDHWBXSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1 ZINC000218859230 386302821 /nfs/dbraw/zinc/30/28/21/386302821.db2.gz HHFXAKKVLGPIST-VXGBXAGGSA-N 1 0 224.735 3.022 40 0 BGABRO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1 ZINC000218859297 386302216 /nfs/dbraw/zinc/30/22/16/386302216.db2.gz HHFXAKKVLGPIST-NWDGAFQWSA-N 1 0 224.735 3.022 40 0 BGABRO Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000218861790 386306799 /nfs/dbraw/zinc/30/67/99/386306799.db2.gz SRTOGBBJUFVQMU-QWHCGFSZSA-N 1 0 238.762 3.330 40 0 BGABRO Cc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000218861855 386305658 /nfs/dbraw/zinc/30/56/58/386305658.db2.gz SRTOGBBJUFVQMU-STQMWFEESA-N 1 0 238.762 3.330 40 0 BGABRO Cc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000218861934 398233966 /nfs/dbraw/zinc/23/39/66/398233966.db2.gz SRTOGBBJUFVQMU-CHWSQXEVSA-N 1 0 238.762 3.330 40 0 BGABRO Cc1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000218862019 398233887 /nfs/dbraw/zinc/23/38/87/398233887.db2.gz SRTOGBBJUFVQMU-OLZOCXBDSA-N 1 0 238.762 3.330 40 0 BGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1F ZINC000218864518 388393029 /nfs/dbraw/zinc/39/30/29/388393029.db2.gz AEPGKEFWEZMPOG-MNOVXSKESA-N 1 0 242.725 3.161 40 0 BGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1F ZINC000218864570 388393319 /nfs/dbraw/zinc/39/33/19/388393319.db2.gz AEPGKEFWEZMPOG-QWRGUYRKSA-N 1 0 242.725 3.161 40 0 BGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1F ZINC000218864639 388392991 /nfs/dbraw/zinc/39/29/91/388392991.db2.gz AEPGKEFWEZMPOG-GHMZBOCLSA-N 1 0 242.725 3.161 40 0 BGABRO [NH3+][C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1F ZINC000218864703 181642731 /nfs/dbraw/zinc/64/27/31/181642731.db2.gz AEPGKEFWEZMPOG-WDEREUQCSA-N 1 0 242.725 3.161 40 0 BGABRO CC(C)(C)c1ccc(N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218885077 386513017 /nfs/dbraw/zinc/51/30/17/386513017.db2.gz KUKVCAYNWVBIJN-UONOGXRCSA-N 1 0 232.371 3.276 40 0 BGABRO CC(C)(C)c1ccc(N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218885147 188008895 /nfs/dbraw/zinc/00/88/95/188008895.db2.gz KUKVCAYNWVBIJN-KBPBESRZSA-N 1 0 232.371 3.276 40 0 BGABRO CC(C)(C)c1ccc(N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218885230 188179079 /nfs/dbraw/zinc/17/90/79/188179079.db2.gz KUKVCAYNWVBIJN-ZIAGYGMSSA-N 1 0 232.371 3.276 40 0 BGABRO CC(C)(C)c1ccc(N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218885312 188179139 /nfs/dbraw/zinc/17/91/39/188179139.db2.gz KUKVCAYNWVBIJN-KGLIPLIRSA-N 1 0 232.371 3.276 40 0 BGABRO [NH3+][C@H]1CCCc2cc(C(F)(F)F)ccc21 ZINC000221811621 181649228 /nfs/dbraw/zinc/64/92/28/181649228.db2.gz IPWBGIQKDHWQNE-JTQLQIEISA-N 1 0 215.218 3.042 40 0 BGABRO Cc1[nH+]c(N)n(-c2ccccc2)c1-c1ccccc1 ZINC000222623473 350998496 /nfs/dbraw/zinc/99/84/96/350998496.db2.gz CSFPYJFYPUQHFU-UHFFFAOYSA-N 1 0 249.317 3.430 40 0 BGABRO CC[NH2+][C@@H](CC)c1ccc(OCC)c(OC)c1 ZINC000222638131 170143836 /nfs/dbraw/zinc/14/38/36/170143836.db2.gz MJIGZPSWGUZEQH-LBPRGKRZSA-N 1 0 237.343 3.155 40 0 BGABRO CC[NH2+][C@H](CC)c1ccc(OCC)c(OC)c1 ZINC000222638204 170161611 /nfs/dbraw/zinc/16/16/11/170161611.db2.gz MJIGZPSWGUZEQH-GFCCVEGCSA-N 1 0 237.343 3.155 40 0 BGABRO CCC[NH2+]Cc1cc(C)n(CCC)c1C ZINC000223659039 169265981 /nfs/dbraw/zinc/26/59/81/169265981.db2.gz CMDCKLFGWCEJBE-UHFFFAOYSA-N 1 0 208.349 3.015 40 0 BGABRO CCCC[NH2+]Cc1cc(C)n(CCC)c1C ZINC000223659116 168869310 /nfs/dbraw/zinc/86/93/10/168869310.db2.gz VQRFUVIMDUADAW-UHFFFAOYSA-N 1 0 222.376 3.405 40 0 BGABRO CCCn1c(C)cc(C[NH2+]CC(C)C)c1C ZINC000223659194 388656986 /nfs/dbraw/zinc/65/69/86/388656986.db2.gz SXTSJYGZZUMYAF-UHFFFAOYSA-N 1 0 222.376 3.261 40 0 BGABRO CCC[NH2+]Cc1cc(C)n(CC(C)C)c1C ZINC000223659595 169266038 /nfs/dbraw/zinc/26/60/38/169266038.db2.gz TXHXVECNURQRTD-UHFFFAOYSA-N 1 0 222.376 3.261 40 0 BGABRO CC[NH2+]Cc1cc(C)n(Cc2ccccc2)c1C ZINC000223661391 170125203 /nfs/dbraw/zinc/12/52/03/170125203.db2.gz JPRSFRFSPDUOHG-UHFFFAOYSA-N 1 0 242.366 3.263 40 0 BGABRO C[NH2+]Cc1cc(C)n(Cc2ccccc2C)c1C ZINC000223661962 173386329 /nfs/dbraw/zinc/38/63/29/173386329.db2.gz GXGORQKGTJUSKT-UHFFFAOYSA-N 1 0 242.366 3.181 40 0 BGABRO C[NH2+]Cc1cc(C)n(Cc2cccc(C)c2)c1C ZINC000223662613 173386178 /nfs/dbraw/zinc/38/61/78/173386178.db2.gz IIUZDGFVQIOXEA-UHFFFAOYSA-N 1 0 242.366 3.181 40 0 BGABRO C[NH2+]Cc1cc(C)n(Cc2ccc(C)cc2)c1C ZINC000223663235 173385897 /nfs/dbraw/zinc/38/58/97/173385897.db2.gz ALUGZJJJPWCHSW-UHFFFAOYSA-N 1 0 242.366 3.181 40 0 BGABRO Cc1cc(C[NH3+])c(C)n1Cc1ccccc1Cl ZINC000223663749 177981376 /nfs/dbraw/zinc/98/13/76/177981376.db2.gz FOOIFVGVAYOHKW-UHFFFAOYSA-N 1 0 248.757 3.265 40 0 BGABRO CCC[NH2+]Cc1cc(C)n(C(C)C)c1C ZINC000223675184 169266028 /nfs/dbraw/zinc/26/60/28/169266028.db2.gz STNKEXSYJUKNHV-UHFFFAOYSA-N 1 0 208.349 3.185 40 0 BGABRO Cc1cc(C[NH2+]CC(C)C)c(C)n1C(C)C ZINC000223675313 178021495 /nfs/dbraw/zinc/02/14/95/178021495.db2.gz OMFWPPBLUFVZEI-UHFFFAOYSA-N 1 0 222.376 3.431 40 0 BGABRO CC[NH2+]Cc1cc(C)n([C@@H](C)CC)c1C ZINC000223675642 170125332 /nfs/dbraw/zinc/12/53/32/170125332.db2.gz GQSFJCOKBXDWHN-JTQLQIEISA-N 1 0 208.349 3.185 40 0 BGABRO CC[NH2+]Cc1cc(C)n([C@H](C)CC)c1C ZINC000223675698 170125379 /nfs/dbraw/zinc/12/53/79/170125379.db2.gz GQSFJCOKBXDWHN-SNVBAGLBSA-N 1 0 208.349 3.185 40 0 BGABRO Cc1cc(C[NH3+])c(C)n1C1CCCCC1 ZINC000223676508 388656957 /nfs/dbraw/zinc/65/69/57/388656957.db2.gz SJCDOSPVXHZCPX-UHFFFAOYSA-N 1 0 206.333 3.069 40 0 BGABRO C[NH2+]Cc1cc(C)n(C2CCCCC2)c1C ZINC000223676597 173385587 /nfs/dbraw/zinc/38/55/87/173385587.db2.gz ZPSDZCFNGLNWDJ-UHFFFAOYSA-N 1 0 220.360 3.330 40 0 BGABRO C[NH2+]Cc1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000223677193 173386018 /nfs/dbraw/zinc/38/60/18/173386018.db2.gz ZMTKUCLBMUYLIV-ZDUSSCGKSA-N 1 0 242.366 3.434 40 0 BGABRO C[NH2+]Cc1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000223677246 173385737 /nfs/dbraw/zinc/38/57/37/173385737.db2.gz ZMTKUCLBMUYLIV-CYBMUJFWSA-N 1 0 242.366 3.434 40 0 BGABRO CCCC[NH2+]Cc1cccn1CC(C)C ZINC000223678140 168870999 /nfs/dbraw/zinc/87/09/99/168870999.db2.gz KFVSJUPFGNDDQX-UHFFFAOYSA-N 1 0 208.349 3.034 40 0 BGABRO CCC[NH2+]Cc1cccn1-c1ccccc1C ZINC000223679317 169267801 /nfs/dbraw/zinc/26/78/01/169267801.db2.gz JRXUXYKXCYQILZ-UHFFFAOYSA-N 1 0 228.339 3.285 40 0 BGABRO CCC[NH2+]Cc1cccn1-c1ccc(C)cc1 ZINC000223680128 169268425 /nfs/dbraw/zinc/26/84/25/169268425.db2.gz GVHJFECBUQXOIA-UHFFFAOYSA-N 1 0 228.339 3.285 40 0 BGABRO CC[NH2+]Cc1cccn1-c1cccc(C)c1C ZINC000223680296 170128908 /nfs/dbraw/zinc/12/89/08/170128908.db2.gz KLRPSTTYWLRJAI-UHFFFAOYSA-N 1 0 228.339 3.204 40 0 BGABRO CC[NH2+]Cc1cccn1-c1ccc(C)cc1C ZINC000223680833 170129213 /nfs/dbraw/zinc/12/92/13/170129213.db2.gz SBJSQHWZMSPCKH-UHFFFAOYSA-N 1 0 228.339 3.204 40 0 BGABRO CC[NH2+]Cc1cccn1-c1cc(C)ccc1C ZINC000223681344 170129451 /nfs/dbraw/zinc/12/94/51/170129451.db2.gz WTCGXYGTZDKJCL-UHFFFAOYSA-N 1 0 228.339 3.204 40 0 BGABRO CC[NH2+]Cc1cccn1-c1ccc(C)c(C)c1 ZINC000223681998 170129577 /nfs/dbraw/zinc/12/95/77/170129577.db2.gz NDZHUDAIMYSLNH-UHFFFAOYSA-N 1 0 228.339 3.204 40 0 BGABRO CC[NH2+]Cc1cccn1-c1cc(C)cc(C)c1 ZINC000223682645 170129693 /nfs/dbraw/zinc/12/96/93/170129693.db2.gz OQYJAVGCNOQBAB-UHFFFAOYSA-N 1 0 228.339 3.204 40 0 BGABRO CC(C)C[NH2+]Cc1cccn1-c1ccccc1F ZINC000223683234 167010187 /nfs/dbraw/zinc/01/01/87/167010187.db2.gz KTRQSWPOIGMGOM-UHFFFAOYSA-N 1 0 246.329 3.362 40 0 BGABRO CCC[NH2+]Cc1cccn1-c1ccc(F)cc1 ZINC000223683625 169267709 /nfs/dbraw/zinc/26/77/09/169267709.db2.gz KKRVCOFZAXPPON-UHFFFAOYSA-N 1 0 232.302 3.116 40 0 BGABRO CC(C)C[NH2+]Cc1cccn1-c1ccc(F)cc1 ZINC000223683791 167010455 /nfs/dbraw/zinc/01/04/55/167010455.db2.gz CPPZUGIAUORWKT-UHFFFAOYSA-N 1 0 246.329 3.362 40 0 BGABRO CC[NH2+]Cc1cccn1-c1ccccc1Cl ZINC000223684155 170129603 /nfs/dbraw/zinc/12/96/03/170129603.db2.gz CMZHQIVLOGNUAY-UHFFFAOYSA-N 1 0 234.730 3.240 40 0 BGABRO CC[NH2+]Cc1cccn1-c1cccc(Cl)c1 ZINC000223684742 170129549 /nfs/dbraw/zinc/12/95/49/170129549.db2.gz VBKPKHHSMBWZIN-UHFFFAOYSA-N 1 0 234.730 3.240 40 0 BGABRO C[NH2+]Cc1cccn1-c1cccc(Cl)c1C ZINC000223685309 173390196 /nfs/dbraw/zinc/39/01/96/173390196.db2.gz NWPPVODYBUJRLO-UHFFFAOYSA-N 1 0 234.730 3.159 40 0 BGABRO C[NH2+]Cc1cccn1-c1ccc(Cl)cc1C ZINC000223685984 173390756 /nfs/dbraw/zinc/39/07/56/173390756.db2.gz KNRUJTNUACOMLP-UHFFFAOYSA-N 1 0 234.730 3.159 40 0 BGABRO C[NH2+]Cc1cccn1-c1cc(Cl)ccc1C ZINC000223686627 173390405 /nfs/dbraw/zinc/39/04/05/173390405.db2.gz ZZXSUWGUONTFHX-UHFFFAOYSA-N 1 0 234.730 3.159 40 0 BGABRO C[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1 ZINC000223687251 173390224 /nfs/dbraw/zinc/39/02/24/173390224.db2.gz KVUZTXILMXIAOW-UHFFFAOYSA-N 1 0 234.730 3.159 40 0 BGABRO CCCC[NH2+]Cc1cccn1[C@@H](C)CC ZINC000223689465 386094202 /nfs/dbraw/zinc/09/42/02/386094202.db2.gz LCWIISWRUVXGDI-LBPRGKRZSA-N 1 0 208.349 3.349 40 0 BGABRO CCCC[NH2+]Cc1cccn1[C@H](C)CC ZINC000223689516 168871752 /nfs/dbraw/zinc/87/17/52/168871752.db2.gz LCWIISWRUVXGDI-GFCCVEGCSA-N 1 0 208.349 3.349 40 0 BGABRO CC[C@@H](C)n1cccc1C[NH2+]CC(C)C ZINC000223689600 386093670 /nfs/dbraw/zinc/09/36/70/386093670.db2.gz QCPMAFFNOCHJGM-GFCCVEGCSA-N 1 0 208.349 3.205 40 0 BGABRO CC[C@H](C)n1cccc1C[NH2+]CC(C)C ZINC000223689650 386093992 /nfs/dbraw/zinc/09/39/92/386093992.db2.gz QCPMAFFNOCHJGM-LBPRGKRZSA-N 1 0 208.349 3.205 40 0 BGABRO CC[NH2+]Cc1cccn1C1CCCCC1 ZINC000223690149 170129194 /nfs/dbraw/zinc/12/91/94/170129194.db2.gz JCCKRMUVBPVRTO-UHFFFAOYSA-N 1 0 206.333 3.103 40 0 BGABRO CCC[NH2+]Cc1cccn1C1CCCCC1 ZINC000223690231 169267492 /nfs/dbraw/zinc/26/74/92/169267492.db2.gz JJGVTTDZHJOWGY-UHFFFAOYSA-N 1 0 220.360 3.493 40 0 BGABRO CC[NH2+]Cc1cccn1[C@@H](C)c1ccccc1 ZINC000223690909 170129514 /nfs/dbraw/zinc/12/95/14/170129514.db2.gz YSCKKEZEFGWPOE-ZDUSSCGKSA-N 1 0 228.339 3.207 40 0 BGABRO CC[NH2+]Cc1cccn1[C@H](C)c1ccccc1 ZINC000223690962 170129076 /nfs/dbraw/zinc/12/90/76/170129076.db2.gz YSCKKEZEFGWPOE-CYBMUJFWSA-N 1 0 228.339 3.207 40 0 BGABRO CCCC[NH2+]Cc1ccn([C@@H](C)CC)c1 ZINC000223692908 168871513 /nfs/dbraw/zinc/87/15/13/168871513.db2.gz BKZYXTNBOCWOBQ-LBPRGKRZSA-N 1 0 208.349 3.349 40 0 BGABRO CCCC[NH2+]Cc1ccn([C@H](C)CC)c1 ZINC000223692958 168871016 /nfs/dbraw/zinc/87/10/16/168871016.db2.gz BKZYXTNBOCWOBQ-GFCCVEGCSA-N 1 0 208.349 3.349 40 0 BGABRO CC[C@@H](C)n1ccc(C[NH2+]CC(C)C)c1 ZINC000223693048 170809778 /nfs/dbraw/zinc/80/97/78/170809778.db2.gz KPHQXUOVIRDPCR-GFCCVEGCSA-N 1 0 208.349 3.205 40 0 BGABRO CC[C@H](C)n1ccc(C[NH2+]CC(C)C)c1 ZINC000223693103 386093692 /nfs/dbraw/zinc/09/36/92/386093692.db2.gz KPHQXUOVIRDPCR-LBPRGKRZSA-N 1 0 208.349 3.205 40 0 BGABRO CC[NH2+]Cc1ccn(C2CCCCC2)c1 ZINC000223693637 170129346 /nfs/dbraw/zinc/12/93/46/170129346.db2.gz ODMMKKOGQGVCOA-UHFFFAOYSA-N 1 0 206.333 3.103 40 0 BGABRO CCC[NH2+]Cc1ccn(C2CCCCC2)c1 ZINC000223693711 169268142 /nfs/dbraw/zinc/26/81/42/169268142.db2.gz AFFUTEOUKXUKNB-UHFFFAOYSA-N 1 0 220.360 3.493 40 0 BGABRO CC[NH2+]Cc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223694393 170129582 /nfs/dbraw/zinc/12/95/82/170129582.db2.gz LGPLMKPUUMIWNH-ZDUSSCGKSA-N 1 0 228.339 3.207 40 0 BGABRO CC[NH2+]Cc1ccn([C@H](C)c2ccccc2)c1 ZINC000223694457 170129120 /nfs/dbraw/zinc/12/91/20/170129120.db2.gz LGPLMKPUUMIWNH-CYBMUJFWSA-N 1 0 228.339 3.207 40 0 BGABRO CCCC[NH2+]Cc1ccn(C(C)(C)C)c1 ZINC000223695544 168871166 /nfs/dbraw/zinc/87/11/66/168871166.db2.gz BRKKKXUARXSRQB-UHFFFAOYSA-N 1 0 208.349 3.133 40 0 BGABRO CCC[C@@H]1c2cc[nH]c2CC[N@H+]1CCC ZINC000223710555 386094428 /nfs/dbraw/zinc/09/44/28/386094428.db2.gz ZMZIFGDHVCWDAE-CYBMUJFWSA-N 1 0 206.333 3.124 40 0 BGABRO CCC[C@H]1c2cc[nH]c2CC[N@H+]1CCC ZINC000223710610 386093592 /nfs/dbraw/zinc/09/35/92/386093592.db2.gz ZMZIFGDHVCWDAE-ZDUSSCGKSA-N 1 0 206.333 3.124 40 0 BGABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1CC ZINC000223711812 386094580 /nfs/dbraw/zinc/09/45/80/386094580.db2.gz GHMZDTVCULBYBU-ZWNOBZJWSA-N 1 0 206.333 3.122 40 0 BGABRO CCC[C@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1CC ZINC000223711876 386093452 /nfs/dbraw/zinc/09/34/52/386093452.db2.gz GHMZDTVCULBYBU-MFKMUULPSA-N 1 0 206.333 3.122 40 0 BGABRO CCC[N@@H+]1[C@@H](C)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000223712337 169211047 /nfs/dbraw/zinc/21/10/47/169211047.db2.gz BDTVXUSFYQGGDT-FZMZJTMJSA-N 1 0 220.360 3.368 40 0 BGABRO CC[C@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1C(C)C ZINC000223712642 386094537 /nfs/dbraw/zinc/09/45/37/386094537.db2.gz GHXGLUWFLZSWLZ-MFKMUULPSA-N 1 0 206.333 3.121 40 0 BGABRO CC(C)[C@@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1C(C)C ZINC000223712865 386093121 /nfs/dbraw/zinc/09/31/21/386093121.db2.gz GNTCWMVNAQLRQQ-BXUZGUMPSA-N 1 0 220.360 3.367 40 0 BGABRO CC(C)[C@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1C(C)C ZINC000223712920 386094188 /nfs/dbraw/zinc/09/41/88/386094188.db2.gz GNTCWMVNAQLRQQ-RISCZKNCSA-N 1 0 220.360 3.367 40 0 BGABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1C ZINC000223714518 386094523 /nfs/dbraw/zinc/09/45/23/386094523.db2.gz CZXMJJURBHBRFN-ZWNOBZJWSA-N 1 0 206.333 3.122 40 0 BGABRO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1C ZINC000223714571 386093798 /nfs/dbraw/zinc/09/37/98/386093798.db2.gz CZXMJJURBHBRFN-MFKMUULPSA-N 1 0 206.333 3.122 40 0 BGABRO CC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1CC ZINC000223715152 386094347 /nfs/dbraw/zinc/09/43/47/386094347.db2.gz USBNUFXKBJINFN-GXFFZTMASA-N 1 0 206.333 3.122 40 0 BGABRO CC[C@H]1Cc2[nH]ccc2[C@@H](C(C)C)[N@@H+]1CC ZINC000223715416 386094888 /nfs/dbraw/zinc/09/48/88/386094888.db2.gz KYTPZLNSNPVNQE-SMDDNHRTSA-N 1 0 220.360 3.368 40 0 BGABRO CCC[N@H+]1[C@@H](C)c2cc[nH]c2C[C@@H]1CC ZINC000223715570 169210962 /nfs/dbraw/zinc/21/09/62/169210962.db2.gz QXOVTZZCQBERNH-QWRGUYRKSA-N 1 0 206.333 3.122 40 0 BGABRO CC[C@H]1Cc2[nH]ccc2[C@@H](C)[N@@H+]1C(C)C ZINC000223716147 386094499 /nfs/dbraw/zinc/09/44/99/386094499.db2.gz JWWNKXCAGBFPIZ-MNOVXSKESA-N 1 0 206.333 3.121 40 0 BGABRO CCCCn1c(C)c(C[NH3+])c2cc(OC)ccc21 ZINC000223755640 169033387 /nfs/dbraw/zinc/03/33/87/169033387.db2.gz BIOHEGJNDCFOJL-UHFFFAOYSA-N 1 0 246.354 3.217 40 0 BGABRO COc1ccc2c(c1)c(C[NH3+])c(C)n2CC(C)C ZINC000223755717 175217592 /nfs/dbraw/zinc/21/75/92/175217592.db2.gz UTTWOQFHJBHJHZ-UHFFFAOYSA-N 1 0 246.354 3.073 40 0 BGABRO CCCn1c(C)c(C[NH3+])c2cc(OCC)ccc21 ZINC000223755862 386098928 /nfs/dbraw/zinc/09/89/28/386098928.db2.gz LDZAOUVSVRJKKC-UHFFFAOYSA-N 1 0 246.354 3.217 40 0 BGABRO CCOc1ccc2c(c1)c(C[NH3+])c(C)n2C(C)C ZINC000223755955 386098215 /nfs/dbraw/zinc/09/82/15/386098215.db2.gz RTTQXKRIIRLRJF-UHFFFAOYSA-N 1 0 246.354 3.388 40 0 BGABRO CCn1c(C)c(C[NH3+])c2cc(OC(C)C)ccc21 ZINC000223756169 172135105 /nfs/dbraw/zinc/13/51/05/172135105.db2.gz UEQALWMTFXQOOX-UHFFFAOYSA-N 1 0 246.354 3.216 40 0 BGABRO CCCOc1ccc2c(c1)c(C[NH3+])c(C)n2CC ZINC000223756705 169323147 /nfs/dbraw/zinc/32/31/47/169323147.db2.gz TYQUKHBPROMYGH-UHFFFAOYSA-N 1 0 246.354 3.217 40 0 BGABRO CC[C@@H](C)Oc1ccc2[nH]c(C)c(C[NH3+])c2c1 ZINC000223757029 386098367 /nfs/dbraw/zinc/09/83/67/386098367.db2.gz QHGBKZPIGCOWFC-SECBINFHSA-N 1 0 232.327 3.112 40 0 BGABRO CC[C@H](C)Oc1ccc2[nH]c(C)c(C[NH3+])c2c1 ZINC000223757084 171356431 /nfs/dbraw/zinc/35/64/31/171356431.db2.gz QHGBKZPIGCOWFC-VIFPVBQESA-N 1 0 232.327 3.112 40 0 BGABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2C ZINC000223757167 386098300 /nfs/dbraw/zinc/09/83/00/386098300.db2.gz GSVLVBIPYPXKFR-SNVBAGLBSA-N 1 0 246.354 3.123 40 0 BGABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2C ZINC000223757223 171356083 /nfs/dbraw/zinc/35/60/83/171356083.db2.gz GSVLVBIPYPXKFR-JTQLQIEISA-N 1 0 246.354 3.123 40 0 BGABRO CCCCn1c(C)c(C[NH2+]C)c2cc(O)ccc21 ZINC000223758268 169034030 /nfs/dbraw/zinc/03/40/30/169034030.db2.gz DOYRVIKKUWWZHY-UHFFFAOYSA-N 1 0 246.354 3.175 40 0 BGABRO C[NH2+]Cc1c(C)n(CC(C)C)c2ccc(O)cc12 ZINC000223758344 173384043 /nfs/dbraw/zinc/38/40/43/173384043.db2.gz QTIRKLUXIPTLSV-UHFFFAOYSA-N 1 0 246.354 3.031 40 0 BGABRO CCCn1c(C)c(C[NH2+]C)c2cc(OC)ccc21 ZINC000223758496 386097992 /nfs/dbraw/zinc/09/79/92/386097992.db2.gz WIOQUDRDDRTQSZ-UHFFFAOYSA-N 1 0 246.354 3.088 40 0 BGABRO C[NH2+]Cc1c2cc(OC)ccc2n(C(C)C)c1C ZINC000223758588 173384359 /nfs/dbraw/zinc/38/43/59/173384359.db2.gz CSOMDUBNDQKCJW-UHFFFAOYSA-N 1 0 246.354 3.259 40 0 BGABRO CCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC ZINC000223758834 386098470 /nfs/dbraw/zinc/09/84/70/386098470.db2.gz GXXBPJXNIQLXHJ-UHFFFAOYSA-N 1 0 246.354 3.088 40 0 BGABRO CC[C@@H](C)Oc1ccc2[nH]c(C)c(C[NH2+]C)c2c1 ZINC000223760159 170766966 /nfs/dbraw/zinc/76/69/66/170766966.db2.gz ZRQJUAGQHKDTGD-SNVBAGLBSA-N 1 0 246.354 3.373 40 0 BGABRO CC[C@H](C)Oc1ccc2[nH]c(C)c(C[NH2+]C)c2c1 ZINC000223760220 171356532 /nfs/dbraw/zinc/35/65/32/171356532.db2.gz ZRQJUAGQHKDTGD-JTQLQIEISA-N 1 0 246.354 3.373 40 0 BGABRO CCCn1c(C)c(C[NH2+]CC)c2cc(O)ccc21 ZINC000223761372 537875916 /nfs/dbraw/zinc/87/59/16/537875916.db2.gz MATOGFBVBWHNJK-UHFFFAOYSA-N 1 0 246.354 3.175 40 0 BGABRO CC[NH2+]Cc1c(C)n(C(C)C)c2ccc(O)cc12 ZINC000223761452 170124791 /nfs/dbraw/zinc/12/47/91/170124791.db2.gz IPRJQUUJGLHTHV-UHFFFAOYSA-N 1 0 246.354 3.346 40 0 BGABRO CC[NH2+]Cc1c(C)n(CC)c2ccc(OC)cc21 ZINC000223761794 170124051 /nfs/dbraw/zinc/12/40/51/170124051.db2.gz NAEABYQHYXLSPV-UHFFFAOYSA-N 1 0 246.354 3.088 40 0 BGABRO CC[NH2+]Cc1c(C)[nH]c2ccc(OC(C)C)cc21 ZINC000223762765 170124496 /nfs/dbraw/zinc/12/44/96/170124496.db2.gz VRSZSCMXAOUMQB-UHFFFAOYSA-N 1 0 246.354 3.373 40 0 BGABRO CCCOc1ccc2[nH]c(C)c(C[NH2+]CC)c2c1 ZINC000223763216 169323619 /nfs/dbraw/zinc/32/36/19/169323619.db2.gz RWUXYDURCIXNSI-UHFFFAOYSA-N 1 0 246.354 3.375 40 0 BGABRO CC[C@@](C)([NH3+])CC(C)(C)c1ccccc1 ZINC000223763936 171170775 /nfs/dbraw/zinc/17/07/75/171170775.db2.gz TZDCZWYBKHKEHL-CQSZACIVSA-N 1 0 205.345 3.482 40 0 BGABRO CC[C@](C)([NH3+])CC(C)(C)c1ccccc1 ZINC000223763986 488071462 /nfs/dbraw/zinc/07/14/62/488071462.db2.gz TZDCZWYBKHKEHL-AWEZNQCLSA-N 1 0 205.345 3.482 40 0 BGABRO CCC[NH2+]Cc1c(C)n(CC)c2ccc(O)cc12 ZINC000223765293 169265700 /nfs/dbraw/zinc/26/57/00/169265700.db2.gz CCZMNMGYAZWSSE-UHFFFAOYSA-N 1 0 246.354 3.175 40 0 BGABRO CCC[NH2+]Cc1c(C)[nH]c2ccc(OCC)cc21 ZINC000223766018 169265900 /nfs/dbraw/zinc/26/59/00/169265900.db2.gz HEUGXRAISKGFNF-UHFFFAOYSA-N 1 0 246.354 3.375 40 0 BGABRO CCn1c(C)c(C[NH2+]C(C)C)c2cc(O)ccc21 ZINC000223768288 172134639 /nfs/dbraw/zinc/13/46/39/172134639.db2.gz IPMMQXWPTGYJGX-UHFFFAOYSA-N 1 0 246.354 3.173 40 0 BGABRO CCOc1ccc2[nH]c(C)c(C[NH2+]C(C)C)c2c1 ZINC000223769037 386099872 /nfs/dbraw/zinc/09/98/72/386099872.db2.gz GNZYEIHTEJGOFL-UHFFFAOYSA-N 1 0 246.354 3.373 40 0 BGABRO Cc1nc2cc(C)c(N)cc2n1C1CCCC1 ZINC000223770421 187320320 /nfs/dbraw/zinc/32/03/20/187320320.db2.gz QPOXSBJODOHFLU-UHFFFAOYSA-N 1 0 229.327 3.350 40 0 BGABRO Cc1cc([N@H+]2CCCC[C@@H]2C)cc(C)c1N ZINC000223773982 386100369 /nfs/dbraw/zinc/10/03/69/386100369.db2.gz YZISSUXDCAAOEO-LBPRGKRZSA-N 1 0 218.344 3.264 40 0 BGABRO Cc1cc([N@@H+]2CCC[C@@H](C)C2)cc(C)c1N ZINC000223774069 386100977 /nfs/dbraw/zinc/10/09/77/386100977.db2.gz VJCYGSNWKZSXEP-SNVBAGLBSA-N 1 0 218.344 3.122 40 0 BGABRO Cc1cc([NH+]2CCC(C)CC2)cc(C)c1N ZINC000223774145 386100911 /nfs/dbraw/zinc/10/09/11/386100911.db2.gz VFQOLOUBSZOEGI-UHFFFAOYSA-N 1 0 218.344 3.122 40 0 BGABRO Cc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1N ZINC000223774224 386100469 /nfs/dbraw/zinc/10/04/69/386100469.db2.gz XSECBSHXMRQANX-PHIMTYICSA-N 1 0 232.371 3.368 40 0 BGABRO Cc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)c1N ZINC000223774281 386100267 /nfs/dbraw/zinc/10/02/67/386100267.db2.gz XSECBSHXMRQANX-GHMZBOCLSA-N 1 0 232.371 3.368 40 0 BGABRO Cc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)c1N ZINC000223774333 386100137 /nfs/dbraw/zinc/10/01/37/386100137.db2.gz XSECBSHXMRQANX-QWRGUYRKSA-N 1 0 232.371 3.368 40 0 BGABRO Cc1cc([NH+]2CCCCCC2)cc(C)c1N ZINC000223774395 178112806 /nfs/dbraw/zinc/11/28/06/178112806.db2.gz HVVLIWQMQOYTCV-UHFFFAOYSA-N 1 0 218.344 3.266 40 0 BGABRO Cc1cc([N@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000223780879 386100218 /nfs/dbraw/zinc/10/02/18/386100218.db2.gz VLPSBAKMLJIXNZ-LBPRGKRZSA-N 1 0 218.344 3.264 40 0 BGABRO Cc1cc([N@@H+]2CCC[C@@H](C)C2)c(C)cc1N ZINC000223780969 386100304 /nfs/dbraw/zinc/10/03/04/386100304.db2.gz UISSIILPCVQBHR-SNVBAGLBSA-N 1 0 218.344 3.122 40 0 BGABRO Cc1cc([NH+]2CCC(C)CC2)c(C)cc1N ZINC000223781054 386100801 /nfs/dbraw/zinc/10/08/01/386100801.db2.gz NIPVLBLBSDIVFU-UHFFFAOYSA-N 1 0 218.344 3.122 40 0 BGABRO Cc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000223781130 386100574 /nfs/dbraw/zinc/10/05/74/386100574.db2.gz BPFBVFQAZPUSBB-PHIMTYICSA-N 1 0 232.371 3.368 40 0 BGABRO Cc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)c(C)cc1N ZINC000223781180 386100846 /nfs/dbraw/zinc/10/08/46/386100846.db2.gz BPFBVFQAZPUSBB-GHMZBOCLSA-N 1 0 232.371 3.368 40 0 BGABRO Cc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)c(C)cc1N ZINC000223781241 386100860 /nfs/dbraw/zinc/10/08/60/386100860.db2.gz BPFBVFQAZPUSBB-QWRGUYRKSA-N 1 0 232.371 3.368 40 0 BGABRO Cc1cc([NH+]2CCCCCC2)c(C)cc1N ZINC000223781303 178113504 /nfs/dbraw/zinc/11/35/04/178113504.db2.gz IXCABEDBPOFDJP-UHFFFAOYSA-N 1 0 218.344 3.266 40 0 BGABRO Cc1ccc([C@@H](CN)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000224156001 387785754 /nfs/dbraw/zinc/78/57/54/387785754.db2.gz DTAWFXAEAUFMQG-MLGOLLRUSA-N 1 0 246.398 3.035 40 0 BGABRO CCCCn1cccc1C[NH+](CC)CC ZINC000225308695 169036737 /nfs/dbraw/zinc/03/67/37/169036737.db2.gz IKZLGKZPWQDOMJ-UHFFFAOYSA-N 1 0 208.349 3.130 40 0 BGABRO CC[NH+](CC)Cc1cccn1-c1ccccc1 ZINC000225308792 386184886 /nfs/dbraw/zinc/18/48/86/386184886.db2.gz LDZSUFTWYKYPLI-UHFFFAOYSA-N 1 0 228.339 3.319 40 0 BGABRO c1cc(C[NH+]2CCCC2)n(-c2ccccc2)c1 ZINC000225309107 183386285 /nfs/dbraw/zinc/38/62/85/183386285.db2.gz ONQMHJIZTGIBPT-UHFFFAOYSA-N 1 0 226.323 3.073 40 0 BGABRO Cc1ccc(-n2cccc2C[NH+]2CCCC2)cc1 ZINC000225309189 178347093 /nfs/dbraw/zinc/34/70/93/178347093.db2.gz RFTZWQUZKDLMJE-UHFFFAOYSA-N 1 0 240.350 3.382 40 0 BGABRO CCCCn1cccc1C[NH+]1CCCCC1 ZINC000225309289 169036708 /nfs/dbraw/zinc/03/67/08/169036708.db2.gz AYVODZLXIZUNIY-UHFFFAOYSA-N 1 0 220.360 3.274 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1C ZINC000225712984 388841596 /nfs/dbraw/zinc/84/15/96/388841596.db2.gz MNQCRRYZXVYRRX-CVEARBPZSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1C ZINC000225713008 259541068 /nfs/dbraw/zinc/54/10/68/259541068.db2.gz MNQCRRYZXVYRRX-HOTGVXAUSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000225713277 259540672 /nfs/dbraw/zinc/54/06/72/259540672.db2.gz HNWCWKYTGZQTHE-ZBFHGGJFSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)c(C)c1 ZINC000225713304 388841316 /nfs/dbraw/zinc/84/13/16/388841316.db2.gz HNWCWKYTGZQTHE-HOCLYGCPSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(C)c(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225713396 388767139 /nfs/dbraw/zinc/76/71/39/388767139.db2.gz GMNBHVKFXJWRTN-CABCVRRESA-N 1 0 244.382 3.024 40 0 BGABRO Cc1ccc(C)c(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225713427 259541117 /nfs/dbraw/zinc/54/11/17/259541117.db2.gz GMNBHVKFXJWRTN-GJZGRUSLSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1C ZINC000225713575 259541219 /nfs/dbraw/zinc/54/12/19/259541219.db2.gz AAYVCRDDOBXSGS-ZBFHGGJFSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1C ZINC000225713603 388841349 /nfs/dbraw/zinc/84/13/49/388841349.db2.gz AAYVCRDDOBXSGS-HOCLYGCPSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cc(C)cc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225714239 388840954 /nfs/dbraw/zinc/84/09/54/388840954.db2.gz YNKZSHHQYRUDRO-CVEARBPZSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cc(C)cc(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225714267 259540980 /nfs/dbraw/zinc/54/09/80/259540980.db2.gz YNKZSHHQYRUDRO-HOTGVXAUSA-N 1 0 244.382 3.024 40 0 BGABRO Cc1cc([C@@H](C)[NH3+])c(Cl)nc1C(C)C ZINC000225738842 525445397 /nfs/dbraw/zinc/44/53/97/525445397.db2.gz QXMCSZAZSPVUKM-MRVPVSSYSA-N 1 0 212.724 3.187 40 0 BGABRO Cc1cc([C@H](C)[NH3+])c(Cl)nc1C(C)C ZINC000225738870 525501575 /nfs/dbraw/zinc/50/15/75/525501575.db2.gz QXMCSZAZSPVUKM-QMMMGPOBSA-N 1 0 212.724 3.187 40 0 BGABRO CCNc1[nH+]c(C)c(C)c2ccccc21 ZINC000225748017 520355029 /nfs/dbraw/zinc/35/50/29/520355029.db2.gz MGYDEBIGKREYIA-UHFFFAOYSA-N 1 0 200.285 3.283 40 0 BGABRO CN1c2ccccc2Sc2ccc(C[NH3+])cc21 ZINC000225753667 134357260 /nfs/dbraw/zinc/35/72/60/134357260.db2.gz VDXHDQKEDPZVLC-UHFFFAOYSA-N 1 0 242.347 3.378 40 0 BGABRO C[C@@]12CCCC[C@@H]1[C@@H]([NH3+])Cc1ccccc12 ZINC000225781213 371576497 /nfs/dbraw/zinc/57/64/97/371576497.db2.gz ZMQWOXWLXGWFRM-ILXRZTDVSA-N 1 0 215.340 3.018 40 0 BGABRO C[C@]12CCCC[C@@H]1[C@@H]([NH3+])Cc1ccccc12 ZINC000225781237 388844187 /nfs/dbraw/zinc/84/41/87/388844187.db2.gz ZMQWOXWLXGWFRM-QLFBSQMISA-N 1 0 215.340 3.018 40 0 BGABRO C[C@@]12CCCC[C@H]1[C@@H]([NH3+])Cc1ccccc12 ZINC000225781257 371576589 /nfs/dbraw/zinc/57/65/89/371576589.db2.gz ZMQWOXWLXGWFRM-KKUMJFAQSA-N 1 0 215.340 3.018 40 0 BGABRO C[C@]12CCCC[C@H]1[C@@H]([NH3+])Cc1ccccc12 ZINC000225781280 385296963 /nfs/dbraw/zinc/29/69/63/385296963.db2.gz ZMQWOXWLXGWFRM-SOUVJXGZSA-N 1 0 215.340 3.018 40 0 BGABRO CCn1c(C)ccc1C[NH2+]C1CCCCC1 ZINC000226019175 172137254 /nfs/dbraw/zinc/13/72/54/172137254.db2.gz YIQNQONDLMOWJV-UHFFFAOYSA-N 1 0 220.360 3.239 40 0 BGABRO CCn1c(C)ccc1C[NH2+]Cc1ccccc1 ZINC000226019213 172137374 /nfs/dbraw/zinc/13/73/74/172137374.db2.gz MXCKUXMGDZRCIQ-UHFFFAOYSA-N 1 0 228.339 3.106 40 0 BGABRO CCc1ccc(C[NH2+]C2CCCCC2)n1C ZINC000226019540 171804469 /nfs/dbraw/zinc/80/44/69/171804469.db2.gz XGKXSGIRVNADOK-UHFFFAOYSA-N 1 0 220.360 3.010 40 0 BGABRO CCc1ccc(C[NH2+]C2CCCCC2)n1CC ZINC000226019750 171804661 /nfs/dbraw/zinc/80/46/61/171804661.db2.gz BNYPKINTWCQAJM-UHFFFAOYSA-N 1 0 234.387 3.493 40 0 BGABRO CCc1ccc(C[NH2+]C2CCCC2)n1CC ZINC000226019763 386232458 /nfs/dbraw/zinc/23/24/58/386232458.db2.gz KHPRQLOSLKKFJZ-UHFFFAOYSA-N 1 0 220.360 3.103 40 0 BGABRO CCc1ccc(C[NH2+]Cc2ccccc2)n1CC ZINC000226019791 386233208 /nfs/dbraw/zinc/23/32/08/386233208.db2.gz CJEOPYGOSKNMBX-UHFFFAOYSA-N 1 0 242.366 3.360 40 0 BGABRO CCCC[NH2+]Cc1ccc(CC(C)C)[nH]1 ZINC000226019842 386231952 /nfs/dbraw/zinc/23/19/52/386231952.db2.gz KGEPFDYRQJTUHX-UHFFFAOYSA-N 1 0 208.349 3.103 40 0 BGABRO CC(C)Cc1ccc(C[NH2+]Cc2ccco2)[nH]1 ZINC000226019928 519439088 /nfs/dbraw/zinc/43/90/88/519439088.db2.gz WEKSFPPTDCHBLL-UHFFFAOYSA-N 1 0 232.327 3.096 40 0 BGABRO CC(C)Cc1ccc(C[NH2+]C2CCCC2)[nH]1 ZINC000226019947 188538395 /nfs/dbraw/zinc/53/83/95/188538395.db2.gz XTKIBUYAWCSGNX-UHFFFAOYSA-N 1 0 220.360 3.245 40 0 BGABRO CCCC[NH2+]Cc1ccc(CC(C)C)n1C ZINC000226020084 386233267 /nfs/dbraw/zinc/23/32/67/386233267.db2.gz JEVDBDCPQTYLPL-UHFFFAOYSA-N 1 0 222.376 3.113 40 0 BGABRO CC(C)Cc1ccc(C[NH2+]C2CCCC2)n1C ZINC000226020197 386233465 /nfs/dbraw/zinc/23/34/65/386233465.db2.gz MFXJKTUAGWFCLQ-UHFFFAOYSA-N 1 0 234.387 3.256 40 0 BGABRO CCn1c(C[NH2+]C(C)C)ccc1CC(C)C ZINC000226020301 172145093 /nfs/dbraw/zinc/14/50/93/172145093.db2.gz ZKSYTMILODGJTM-UHFFFAOYSA-N 1 0 222.376 3.205 40 0 BGABRO CCn1c(C[NH2+]CC(C)C)ccc1CC(C)C ZINC000226020324 172144689 /nfs/dbraw/zinc/14/46/89/172144689.db2.gz GLZJQMUTQVJFGB-UHFFFAOYSA-N 1 0 236.403 3.452 40 0 BGABRO CCCc1ccc(C[NH2+]C2CCCCC2)[nH]1 ZINC000226020562 169570476 /nfs/dbraw/zinc/57/04/76/169570476.db2.gz RMFUZSOAVQDIFK-UHFFFAOYSA-N 1 0 220.360 3.390 40 0 BGABRO CCCc1ccc(C[NH2+]Cc2ccccc2)[nH]1 ZINC000226020599 521396510 /nfs/dbraw/zinc/39/65/10/521396510.db2.gz VJLDPHCVVJTVHX-UHFFFAOYSA-N 1 0 228.339 3.257 40 0 BGABRO CCCc1ccc(C[NH2+]C2CCCCC2)n1C ZINC000226020748 386232379 /nfs/dbraw/zinc/23/23/79/386232379.db2.gz UZSDXHHDWSFCFV-UHFFFAOYSA-N 1 0 234.387 3.400 40 0 BGABRO CCCc1ccc(C[NH2+]C2CCCC2)n1C ZINC000226020765 169570415 /nfs/dbraw/zinc/57/04/15/169570415.db2.gz YTCAJRDLUMTQCD-UHFFFAOYSA-N 1 0 220.360 3.010 40 0 BGABRO CCCc1ccc(C[NH2+]Cc2ccccc2)n1C ZINC000226020789 521397916 /nfs/dbraw/zinc/39/79/16/521397916.db2.gz CUQDIHCYPVEIMS-UHFFFAOYSA-N 1 0 242.366 3.267 40 0 BGABRO CCCC[NH2+]Cc1ccc(CCC)n1CC ZINC000226020867 386233091 /nfs/dbraw/zinc/23/30/91/386233091.db2.gz KCZJPVGRSOFVPR-UHFFFAOYSA-N 1 0 222.376 3.350 40 0 BGABRO CCCc1ccc(C[NH2+]CC(C)C)n1CC ZINC000226020883 386232407 /nfs/dbraw/zinc/23/24/07/386232407.db2.gz XCMMBUXPFGSQRQ-UHFFFAOYSA-N 1 0 222.376 3.206 40 0 BGABRO CCCc1ccc(C[NH2+]Cc2ccco2)n1CC ZINC000226020929 521396848 /nfs/dbraw/zinc/39/68/48/521396848.db2.gz VHDPYRWNZGOUBB-UHFFFAOYSA-N 1 0 246.354 3.343 40 0 BGABRO CCCc1ccc(C[NH2+]C2CCCC2)n1CC ZINC000226020954 386232870 /nfs/dbraw/zinc/23/28/70/386232870.db2.gz FVEQNJVKOIANTE-UHFFFAOYSA-N 1 0 234.387 3.493 40 0 BGABRO CCCC[NH2+]Cc1ccc(Cc2ccco2)[nH]1 ZINC000226021063 520691294 /nfs/dbraw/zinc/69/12/94/520691294.db2.gz SCMVDAMTQSQCLN-UHFFFAOYSA-N 1 0 232.327 3.088 40 0 BGABRO c1coc(Cc2ccc(C[NH2+]C3CCCC3)[nH]2)c1 ZINC000226021182 386233365 /nfs/dbraw/zinc/23/33/65/386233365.db2.gz OLBPVDUWFMUDKW-UHFFFAOYSA-N 1 0 244.338 3.231 40 0 BGABRO CCCC[NH2+]Cc1ccc(Cc2ccco2)n1C ZINC000226021308 520692117 /nfs/dbraw/zinc/69/21/17/520692117.db2.gz INBSUSRACPTOMB-UHFFFAOYSA-N 1 0 246.354 3.099 40 0 BGABRO CCn1c(C[NH2+]C(C)C)ccc1Cc1ccco1 ZINC000226021506 172144746 /nfs/dbraw/zinc/14/47/46/172144746.db2.gz WXPZFOQNTSKPFT-UHFFFAOYSA-N 1 0 246.354 3.190 40 0 BGABRO CCn1c(C)cc(C[NH+]2CCCCC2)c1C ZINC000226033141 172136231 /nfs/dbraw/zinc/13/62/31/172136231.db2.gz DQHZGMQQHNDFOY-UHFFFAOYSA-N 1 0 220.360 3.111 40 0 BGABRO c1cc(C[NH+]2CCCCC2)n(-c2ccccc2)c1 ZINC000226033269 183386798 /nfs/dbraw/zinc/38/67/98/183386798.db2.gz ILCNAYPLDSRFKV-UHFFFAOYSA-N 1 0 240.350 3.463 40 0 BGABRO Cc1cc([N@@H+]2CCC[C@H](C)C2)cc(C)c1N ZINC000226215688 388710853 /nfs/dbraw/zinc/71/08/53/388710853.db2.gz VJCYGSNWKZSXEP-JTQLQIEISA-N 1 0 218.344 3.122 40 0 BGABRO Cc1cc([N@@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000226217544 388711743 /nfs/dbraw/zinc/71/17/43/388711743.db2.gz UISSIILPCVQBHR-JTQLQIEISA-N 1 0 218.344 3.122 40 0 BGABRO CCc1cc(N)ccc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226315488 384972852 /nfs/dbraw/zinc/97/28/52/384972852.db2.gz RYUGJRIWIXKJLO-TXEJJXNPSA-N 1 0 232.371 3.314 40 0 BGABRO CCc1cc(N)ccc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000226315493 384972617 /nfs/dbraw/zinc/97/26/17/384972617.db2.gz RYUGJRIWIXKJLO-VXGBXAGGSA-N 1 0 232.371 3.314 40 0 BGABRO CCc1cc(N)ccc1[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000226315499 384972121 /nfs/dbraw/zinc/97/21/21/384972121.db2.gz RYUGJRIWIXKJLO-RYUDHWBXSA-N 1 0 232.371 3.314 40 0 BGABRO CCc1cc(N)ccc1[N@@H+]1CCC[C@@H](C)C1 ZINC000226315505 384971083 /nfs/dbraw/zinc/97/10/83/384971083.db2.gz LHTGAACGTDAGJL-LLVKDONJSA-N 1 0 218.344 3.068 40 0 BGABRO CCc1cc(N)ccc1[N@@H+]1CCC[C@H](C)C1 ZINC000226315512 384973132 /nfs/dbraw/zinc/97/31/32/384973132.db2.gz LHTGAACGTDAGJL-NSHDSACASA-N 1 0 218.344 3.068 40 0 BGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cccc[n+]1C ZINC000226640004 187321011 /nfs/dbraw/zinc/32/10/11/187321011.db2.gz JYORBCOFUXHIJO-ILXRZTDVSA-N 1 0 248.390 3.351 40 0 BGABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cccc[n+]1C ZINC000226640010 385102287 /nfs/dbraw/zinc/10/22/87/385102287.db2.gz JYORBCOFUXHIJO-KFWWJZLASA-N 1 0 248.390 3.351 40 0 BGABRO NC(=[NH2+])[C@H](c1ccccc1)C1CCCCC1 ZINC000228920388 526818080 /nfs/dbraw/zinc/81/80/80/526818080.db2.gz UDQONRICQMBPMC-CYBMUJFWSA-N 1 0 216.328 3.286 40 0 BGABRO NC(=[NH2+])[C@@H](c1ccccc1)C1CCCCC1 ZINC000228920401 526818163 /nfs/dbraw/zinc/81/81/63/526818163.db2.gz UDQONRICQMBPMC-ZDUSSCGKSA-N 1 0 216.328 3.286 40 0 BGABRO NC(=[NH2+])Cc1c(Cl)ccc(Cl)c1Cl ZINC000228930337 526818386 /nfs/dbraw/zinc/81/83/86/526818386.db2.gz RLLJIQSKGANPJT-UHFFFAOYSA-N 1 0 237.517 3.125 40 0 BGABRO NC(=[NH2+])Cc1csc2ccc(Cl)cc12 ZINC000228934708 526818035 /nfs/dbraw/zinc/81/80/35/526818035.db2.gz OXOFWUYDJXWSLZ-UHFFFAOYSA-N 1 0 224.716 3.033 40 0 BGABRO c1ccc(COCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000228959582 526474154 /nfs/dbraw/zinc/47/41/54/526474154.db2.gz KTODJUBMENTNGQ-UHFFFAOYSA-N 1 0 239.318 3.007 40 0 BGABRO CCCC[C@H](CC)CNc1cc(NC)ncn1 ZINC000233038629 343794147 /nfs/dbraw/zinc/79/41/47/343794147.db2.gz QEXADYASPZOZNG-NSHDSACASA-N 1 0 236.363 3.147 40 0 BGABRO CCCC[C@@H](CC)CNc1cc(NC)ncn1 ZINC000233056384 343794066 /nfs/dbraw/zinc/79/40/66/343794066.db2.gz QEXADYASPZOZNG-LLVKDONJSA-N 1 0 236.363 3.147 40 0 BGABRO Cc1ccc(-c2ccc(F)cc2C[NH3+])cc1 ZINC000235896586 343795692 /nfs/dbraw/zinc/79/56/92/343795692.db2.gz OEFLUNLNUXDLNT-UHFFFAOYSA-N 1 0 215.271 3.260 40 0 BGABRO [NH3+]Cc1cc(F)ccc1-c1cccs1 ZINC000236252922 343795473 /nfs/dbraw/zinc/79/54/73/343795473.db2.gz WXOFKNZJRPKHNF-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO [NH3+]Cc1cc(F)ccc1-c1ccsc1 ZINC000236253305 343795637 /nfs/dbraw/zinc/79/56/37/343795637.db2.gz KRNZNHIENMFSBD-UHFFFAOYSA-N 1 0 207.273 3.013 40 0 BGABRO CCCC[C@H]([NH2+]CC)C(=O)c1ccccc1 ZINC000238229473 411289958 /nfs/dbraw/zinc/28/99/58/411289958.db2.gz CWNKMHIETKEBCA-ZDUSSCGKSA-N 1 0 219.328 3.038 40 0 in-vitro BGABRO CCC[C@@H]([NH2+]C(C)C)C(=O)c1ccccc1 ZINC000238247881 360743956 /nfs/dbraw/zinc/74/39/56/360743956.db2.gz YKMMLFOYDTYAGR-CYBMUJFWSA-N 1 0 219.328 3.036 40 0 in-vitro BGABRO CCC[NH2+][C@@H](CCC)C(=O)c1ccccc1 ZINC000238250934 169277945 /nfs/dbraw/zinc/27/79/45/169277945.db2.gz XRDFYYCTRQFMQB-ZDUSSCGKSA-N 1 0 219.328 3.038 40 0 in-vitro BGABRO CCC[C@H]([NH2+]C(C)C)C(=O)c1ccccc1 ZINC000238255127 360761546 /nfs/dbraw/zinc/76/15/46/360761546.db2.gz YKMMLFOYDTYAGR-ZDUSSCGKSA-N 1 0 219.328 3.036 40 0 in-vitro BGABRO [NH3+][C@H]1CCc2cc(Cl)c(Br)cc21 ZINC000238625508 181655057 /nfs/dbraw/zinc/65/50/57/181655057.db2.gz KOCRJRQTCBCDAI-VIFPVBQESA-N 1 0 246.535 3.049 40 0 BGABRO [NH3+][C@@H]1CCc2cc(Cl)c(Br)cc21 ZINC000238636823 386517296 /nfs/dbraw/zinc/51/72/96/386517296.db2.gz KOCRJRQTCBCDAI-SECBINFHSA-N 1 0 246.535 3.049 40 0 BGABRO CCCC[C@@H]([NH2+]CC)C(=O)c1ccccc1 ZINC000238793960 345018082 /nfs/dbraw/zinc/01/80/82/345018082.db2.gz CWNKMHIETKEBCA-CYBMUJFWSA-N 1 0 219.328 3.038 40 0 in-vitro BGABRO CCC[NH2+][C@H](CCC)C(=O)c1ccccc1 ZINC000238795279 169289511 /nfs/dbraw/zinc/28/95/11/169289511.db2.gz XRDFYYCTRQFMQB-CYBMUJFWSA-N 1 0 219.328 3.038 40 0 in-vitro BGABRO CC(C)c1ccc([C@@H]2C[C@H]2[C@H](C)[NH3+])cc1 ZINC000242437465 259543548 /nfs/dbraw/zinc/54/35/48/259543548.db2.gz CARPVSQLWBUNLD-BPNCWPANSA-N 1 0 203.329 3.261 40 0 BGABRO CC(C)c1ccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])cc1 ZINC000242437466 388722322 /nfs/dbraw/zinc/72/23/22/388722322.db2.gz CARPVSQLWBUNLD-GDLCADMTSA-N 1 0 203.329 3.261 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000242463802 388743059 /nfs/dbraw/zinc/74/30/59/388743059.db2.gz DLZVKBOURYYRGL-SWPVVBRQSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000242463804 259543809 /nfs/dbraw/zinc/54/38/09/259543809.db2.gz DLZVKBOURYYRGL-XROYCOCOSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000242495115 388801906 /nfs/dbraw/zinc/80/19/06/388801906.db2.gz FVGCAAWGHXAZTQ-SWPVVBRQSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000242495116 388802235 /nfs/dbraw/zinc/80/22/35/388802235.db2.gz FVGCAAWGHXAZTQ-XROYCOCOSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000242547662 259544318 /nfs/dbraw/zinc/54/43/18/259544318.db2.gz KQJNWEUHGJEKFH-JUWDTYFHSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000242547663 384389272 /nfs/dbraw/zinc/38/92/72/384389272.db2.gz KQJNWEUHGJEKFH-QUNWWBBNSA-N 1 0 230.138 3.444 40 0 BGABRO Nc1ccccc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000242554614 387224254 /nfs/dbraw/zinc/22/42/54/387224254.db2.gz MOMSVKZLGOQVJK-KBPBESRZSA-N 1 0 244.382 3.281 40 0 BGABRO Nc1ccccc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000242554615 387224144 /nfs/dbraw/zinc/22/41/44/387224144.db2.gz MOMSVKZLGOQVJK-KGLIPLIRSA-N 1 0 244.382 3.281 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000242688169 259326029 /nfs/dbraw/zinc/32/60/29/259326029.db2.gz VJELBKBGSDAXGS-HGNGGELXSA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000242688170 259326311 /nfs/dbraw/zinc/32/63/11/259326311.db2.gz VJELBKBGSDAXGS-SFGNSQDASA-N 1 0 245.244 3.036 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000242701745 384516241 /nfs/dbraw/zinc/51/62/41/384516241.db2.gz WNWSBPNDGIFKLC-CYUDJLOBSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000242701746 259544888 /nfs/dbraw/zinc/54/48/88/259544888.db2.gz WNWSBPNDGIFKLC-FZYJTZEISA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000242722728 384514162 /nfs/dbraw/zinc/51/41/62/384514162.db2.gz XSVSHOPSLOIPAO-XVYDVKMFSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000242722729 384516214 /nfs/dbraw/zinc/51/62/14/384516214.db2.gz XSVSHOPSLOIPAO-ZQARSLAVSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@]12CCCC[C@@H]1[C@H]([NH3+])Cc1ccccc12 ZINC000242750342 259545504 /nfs/dbraw/zinc/54/55/04/259545504.db2.gz ZMQWOXWLXGWFRM-RBSFLKMASA-N 1 0 215.340 3.018 40 0 BGABRO C[C@]12CCCC[C@H]1[C@H]([NH3+])Cc1ccccc12 ZINC000242750343 388400721 /nfs/dbraw/zinc/40/07/21/388400721.db2.gz ZMQWOXWLXGWFRM-RRFJBIMHSA-N 1 0 215.340 3.018 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000245228981 384388848 /nfs/dbraw/zinc/38/88/48/384388848.db2.gz KLEBMUWQQXXIQE-HGNGGELXSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000245228982 384389370 /nfs/dbraw/zinc/38/93/70/384389370.db2.gz KLEBMUWQQXXIQE-SFGNSQDASA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000249692353 384514904 /nfs/dbraw/zinc/51/49/04/384514904.db2.gz MJQIECYQQZPMMJ-XVYDVKMFSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000249692355 384516094 /nfs/dbraw/zinc/51/60/94/384516094.db2.gz MJQIECYQQZPMMJ-ZQARSLAVSA-N 1 0 230.138 3.444 40 0 BGABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000249696521 384515843 /nfs/dbraw/zinc/51/58/43/384515843.db2.gz SRUWKSINWHQELT-SWPVVBRQSA-N 1 0 229.245 3.156 40 0 BGABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000249696522 384515803 /nfs/dbraw/zinc/51/58/03/384515803.db2.gz SRUWKSINWHQELT-XROYCOCOSA-N 1 0 229.245 3.156 40 0 BGABRO CC1(C)[C@]2(C)CC[C@@]1(c1ccccc1)C[C@H]2[NH3+] ZINC000252486779 259326263 /nfs/dbraw/zinc/32/62/63/259326263.db2.gz NEAWUDPEOCRETE-BMFZPTHFSA-N 1 0 229.367 3.482 40 0 BGABRO Fc1ccc(C[NH2+]Cc2ccc(F)s2)s1 ZINC000252503369 384823002 /nfs/dbraw/zinc/82/30/02/384823002.db2.gz VCUCGOBOCCNJGS-UHFFFAOYSA-N 1 0 245.319 3.378 40 0 BGABRO CC1(C)Cc2nc(C(F)(F)F)ccc2[C@H]([NH3+])C1 ZINC000252508446 388654083 /nfs/dbraw/zinc/65/40/83/388654083.db2.gz XNMAFXJRCGJLBR-MRVPVSSYSA-N 1 0 244.260 3.073 40 0 BGABRO CC1(C)Cc2nc(C(F)(F)F)ccc2[C@@H]([NH3+])C1 ZINC000252508447 388653777 /nfs/dbraw/zinc/65/37/77/388653777.db2.gz XNMAFXJRCGJLBR-QMMMGPOBSA-N 1 0 244.260 3.073 40 0 BGABRO CC[N@@H+]1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000252516701 388654430 /nfs/dbraw/zinc/65/44/30/388654430.db2.gz VZOWZPMJHQEGPI-CHWSQXEVSA-N 1 0 223.360 3.010 40 0 BGABRO CC[N@@H+]1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000252516702 388654008 /nfs/dbraw/zinc/65/40/08/388654008.db2.gz VZOWZPMJHQEGPI-OLZOCXBDSA-N 1 0 223.360 3.010 40 0 BGABRO O=C1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000253615977 388822703 /nfs/dbraw/zinc/82/27/03/388822703.db2.gz AYGYFNNXABZJGF-HUUCEWRRSA-N 1 0 243.350 3.020 40 0 BGABRO O=C1CCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000253615978 388822790 /nfs/dbraw/zinc/82/27/90/388822790.db2.gz AYGYFNNXABZJGF-LSDHHAIUSA-N 1 0 243.350 3.020 40 0 BGABRO [NH3+]C1(c2cccc(F)c2)CCC(F)(F)CC1 ZINC000255187164 181335825 /nfs/dbraw/zinc/33/58/25/181335825.db2.gz BQFCATOQFOEYQK-UHFFFAOYSA-N 1 0 229.245 3.189 40 0 BGABRO Cc1ccccc1C1([NH3+])CCC(F)(F)CC1 ZINC000255187228 179254819 /nfs/dbraw/zinc/25/48/19/179254819.db2.gz CCBPYIKIVPCBHF-UHFFFAOYSA-N 1 0 225.282 3.358 40 0 BGABRO [NH3+]C1(c2ccc(F)cc2)CCC(F)(F)CC1 ZINC000255187522 181334169 /nfs/dbraw/zinc/33/41/69/181334169.db2.gz FDQGUWPVGJYLBJ-UHFFFAOYSA-N 1 0 229.245 3.189 40 0 BGABRO Cc1ccc(C2([NH3+])CCC(F)(F)CC2)cc1 ZINC000255188014 388676248 /nfs/dbraw/zinc/67/62/48/388676248.db2.gz IGXMQKOEZMIKJJ-UHFFFAOYSA-N 1 0 225.282 3.358 40 0 BGABRO COc1ccc(C2([NH3+])CCC(F)(F)CC2)cc1 ZINC000255188171 175084475 /nfs/dbraw/zinc/08/44/75/175084475.db2.gz IVPUFWUPNIRXEZ-UHFFFAOYSA-N 1 0 241.281 3.059 40 0 BGABRO [NH3+]C1(c2ccccc2F)CCC(F)(F)CC1 ZINC000255189744 181334796 /nfs/dbraw/zinc/33/47/96/181334796.db2.gz RTDSDYHZPMTBNK-UHFFFAOYSA-N 1 0 229.245 3.189 40 0 BGABRO COc1cccc(C2([NH3+])CCC(F)(F)CC2)c1 ZINC000255190396 175248418 /nfs/dbraw/zinc/24/84/18/175248418.db2.gz WZWVGHJNWXRUIZ-UHFFFAOYSA-N 1 0 241.281 3.059 40 0 BGABRO COc1ccccc1C1([NH3+])CCC(F)(F)CC1 ZINC000255190478 175320722 /nfs/dbraw/zinc/32/07/22/175320722.db2.gz XLBPDDWXCNOIHR-UHFFFAOYSA-N 1 0 241.281 3.059 40 0 BGABRO [NH3+]C1(c2ccccc2)CCC(F)(F)CC1 ZINC000255190560 181335771 /nfs/dbraw/zinc/33/57/71/181335771.db2.gz XZQMJXOUHSANAK-UHFFFAOYSA-N 1 0 211.255 3.050 40 0 BGABRO Cc1cccc(C2([NH3+])CCC(F)(F)CC2)c1 ZINC000255190631 179050203 /nfs/dbraw/zinc/05/02/03/179050203.db2.gz YKUFCJBKXVMKKR-UHFFFAOYSA-N 1 0 225.282 3.358 40 0 BGABRO CCCCCC[NH2+]Cc1ccnn1C(C)C ZINC000256049591 398040621 /nfs/dbraw/zinc/04/06/21/398040621.db2.gz AORLCQZOCNLBBT-UHFFFAOYSA-N 1 0 223.364 3.134 40 0 BGABRO CCCC[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256049997 398040530 /nfs/dbraw/zinc/04/05/30/398040530.db2.gz CEZKPBLTRAAYGD-UHFFFAOYSA-N 1 0 235.375 3.231 40 0 BGABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1 ZINC000256050262 387858112 /nfs/dbraw/zinc/85/81/12/387858112.db2.gz DITSNAVDUIOTTG-UHFFFAOYSA-N 1 0 243.354 3.062 40 0 BGABRO CCCCCC[NH2+]Cc1cn(CCC)nc1C ZINC000256050292 387858843 /nfs/dbraw/zinc/85/88/43/387858843.db2.gz DNFAHTWOALXDMV-UHFFFAOYSA-N 1 0 237.391 3.271 40 0 BGABRO Fc1ccc(C[NH2+]Cc2ccc(F)cc2)s1 ZINC000256051078 387858967 /nfs/dbraw/zinc/85/89/67/387858967.db2.gz HPVVYAGAMVJHLN-UHFFFAOYSA-N 1 0 239.290 3.316 40 0 BGABRO Fc1ccc(C[NH2+]C2CCCCC2)s1 ZINC000256051250 180967616 /nfs/dbraw/zinc/96/76/16/180967616.db2.gz IJZLLPOCVPOXJR-UHFFFAOYSA-N 1 0 213.321 3.310 40 0 BGABRO CCCC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256051552 387859054 /nfs/dbraw/zinc/85/90/54/387859054.db2.gz JPJJJIQTCSDSGX-UHFFFAOYSA-N 1 0 235.375 3.196 40 0 BGABRO CCCCCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000256052027 387860088 /nfs/dbraw/zinc/86/00/88/387860088.db2.gz LPEHMCSQRQDTRX-UHFFFAOYSA-N 1 0 237.391 3.442 40 0 BGABRO Fc1ccc(C[NH2+]Cc2cccs2)s1 ZINC000256052045 387860730 /nfs/dbraw/zinc/86/07/30/387860730.db2.gz LRRHYMKRPKLOBU-UHFFFAOYSA-N 1 0 227.329 3.239 40 0 BGABRO CCCCCC[NH2+]Cc1c(C)nn(CC)c1F ZINC000256052502 387860847 /nfs/dbraw/zinc/86/08/47/387860847.db2.gz NOEYAFQTTPNOCP-UHFFFAOYSA-N 1 0 241.354 3.020 40 0 BGABRO Cc1ccc(C[NH2+]Cc2ccc(F)s2)cc1 ZINC000256052528 387860948 /nfs/dbraw/zinc/86/09/48/387860948.db2.gz NRYUWKYEYPAUOG-UHFFFAOYSA-N 1 0 235.327 3.485 40 0 BGABRO CCCCCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256052834 387860181 /nfs/dbraw/zinc/86/01/81/387860181.db2.gz OVWXYJBNVRYUNU-UHFFFAOYSA-N 1 0 237.391 3.209 40 0 BGABRO Cc1c(C[NH2+]Cc2ccccc2)cnn1C(C)C ZINC000256053044 387860906 /nfs/dbraw/zinc/86/09/06/387860906.db2.gz PTJXDJHZRBGQGX-UHFFFAOYSA-N 1 0 243.354 3.062 40 0 BGABRO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccccc1 ZINC000256053500 387861303 /nfs/dbraw/zinc/86/13/03/387861303.db2.gz RRULFRRDNNWZJD-CYBMUJFWSA-N 1 0 243.354 3.144 40 0 BGABRO CC[C@H](C)n1nccc1C[NH2+]Cc1ccccc1 ZINC000256053501 387861191 /nfs/dbraw/zinc/86/11/91/387861191.db2.gz RRULFRRDNNWZJD-ZDUSSCGKSA-N 1 0 243.354 3.144 40 0 BGABRO CCCCCC[NH2+]Cc1cnn(C(C)C)c1C ZINC000256054143 387863220 /nfs/dbraw/zinc/86/32/20/387863220.db2.gz VBVOUSGMVTZZLJ-UHFFFAOYSA-N 1 0 237.391 3.442 40 0 BGABRO Fc1ccc(C[NH2+]Cc2cccc(F)c2)s1 ZINC000256054410 387862409 /nfs/dbraw/zinc/86/24/09/387862409.db2.gz WDSCQUAGXUNVEN-UHFFFAOYSA-N 1 0 239.290 3.316 40 0 BGABRO CCCCCC[NH2+]Cc1cc(C)nn1CCC ZINC000256054452 387862933 /nfs/dbraw/zinc/86/29/33/387862933.db2.gz WIABKQVZCSCDBN-UHFFFAOYSA-N 1 0 237.391 3.271 40 0 BGABRO CCCCCC[NH2+]Cc1ccnn1CC(C)C ZINC000256054937 387863274 /nfs/dbraw/zinc/86/32/74/387863274.db2.gz YKUTXPUFWYALMG-UHFFFAOYSA-N 1 0 237.391 3.209 40 0 BGABRO Fc1ccc(C[NH2+]Cc2ccccc2)s1 ZINC000256055203 387862797 /nfs/dbraw/zinc/86/27/97/387862797.db2.gz ZRPLRNQDHALLDJ-UHFFFAOYSA-N 1 0 221.300 3.177 40 0 BGABRO c1cnc2cccc(C[C@@H]3CCC[NH2+]CC3)c2c1 ZINC000257197738 183355610 /nfs/dbraw/zinc/35/56/10/183355610.db2.gz IAQOEPBHHKJWEU-CYBMUJFWSA-N 1 0 240.350 3.167 40 0 BGABRO c1cnc2cccc(C[C@H]3CCC[NH2+]CC3)c2c1 ZINC000257197739 183355336 /nfs/dbraw/zinc/35/53/36/183355336.db2.gz IAQOEPBHHKJWEU-ZDUSSCGKSA-N 1 0 240.350 3.167 40 0 BGABRO c1cnc2c(c1)cccc2C[C@@H]1CCC[NH2+]CC1 ZINC000257197923 183485553 /nfs/dbraw/zinc/48/55/53/183485553.db2.gz NMWLBQZELDQQIW-CYBMUJFWSA-N 1 0 240.350 3.167 40 0 BGABRO c1cnc2c(c1)cccc2C[C@H]1CCC[NH2+]CC1 ZINC000257197924 385752893 /nfs/dbraw/zinc/75/28/93/385752893.db2.gz NMWLBQZELDQQIW-ZDUSSCGKSA-N 1 0 240.350 3.167 40 0 BGABRO c1cc2cc(C[C@@H]3CCC[NH2+]CC3)ccc2cn1 ZINC000257198059 183374496 /nfs/dbraw/zinc/37/44/96/183374496.db2.gz RJVRAKMVOYMMOY-CYBMUJFWSA-N 1 0 240.350 3.167 40 0 BGABRO c1cc2cc(C[C@H]3CCC[NH2+]CC3)ccc2cn1 ZINC000257198060 183374203 /nfs/dbraw/zinc/37/42/03/183374203.db2.gz RJVRAKMVOYMMOY-ZDUSSCGKSA-N 1 0 240.350 3.167 40 0 BGABRO C[C@@]1(C[NH3+])CCC[C@@H](O)C[C@H](c2ccccc2)C1 ZINC000257203684 385753045 /nfs/dbraw/zinc/75/30/45/385753045.db2.gz ARCQFPHXFOWMLI-ARFHVFGLSA-N 1 0 247.382 3.060 40 0 BGABRO CCC[C@H]1CC[NH2+]C[C@H]1Nc1cccc(F)c1 ZINC000257207365 385753155 /nfs/dbraw/zinc/75/31/55/385753155.db2.gz BHKZDKMUFCMJLA-SMDDNHRTSA-N 1 0 236.334 3.016 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ncn2ccsc12 ZINC000257247923 385755100 /nfs/dbraw/zinc/75/51/00/385755100.db2.gz JBEPWHAHTMYYSA-LLVKDONJSA-N 1 0 249.383 3.331 40 0 BGABRO CC(C)[N@@H+]1CCCC[C@H]1c1ncn2ccsc12 ZINC000257247924 385754898 /nfs/dbraw/zinc/75/48/98/385754898.db2.gz JBEPWHAHTMYYSA-NSHDSACASA-N 1 0 249.383 3.331 40 0 BGABRO [NH3+][C@H]1CC[C@H](Cc2ccc(Cl)cc2)CC1 ZINC000257267357 385757203 /nfs/dbraw/zinc/75/72/03/385757203.db2.gz MGYGVIHNDZLLGF-AULYBMBSSA-N 1 0 223.747 3.400 40 0 BGABRO C[NH2+][C@H]1CC[C@H](Cc2ccccc2)CC1 ZINC000257277293 385757246 /nfs/dbraw/zinc/75/72/46/385757246.db2.gz NXGKUHSEYGGCAV-HDJSIYSDSA-N 1 0 203.329 3.007 40 0 BGABRO C[NH2+][C@H]1CC[C@H](Cc2ccc(OC)cc2)CC1 ZINC000257290118 388697862 /nfs/dbraw/zinc/69/78/62/388697862.db2.gz QBRAGBFGTURBIW-MQMHXKEQSA-N 1 0 233.355 3.016 40 0 BGABRO [NH3+][C@H]1CC[C@H](Cc2cnc3ccccc3c2)CC1 ZINC000257331615 181654156 /nfs/dbraw/zinc/65/41/56/181654156.db2.gz XTOSJUAMSJBQQK-NNUKFRKNSA-N 1 0 240.350 3.295 40 0 BGABRO C[NH2+][C@H]1CC[C@H](Cc2ccc(F)cc2)CC1 ZINC000257334251 385765289 /nfs/dbraw/zinc/76/52/89/385765289.db2.gz YFDXSHTYNHMCAX-MQMHXKEQSA-N 1 0 221.319 3.146 40 0 BGABRO [NH3+]Cc1cc2cccc(Cl)c2nc1Cl ZINC000257832530 541485346 /nfs/dbraw/zinc/48/53/46/541485346.db2.gz AAQGXHGJROFQSG-UHFFFAOYSA-N 1 0 227.094 3.000 40 0 BGABRO Fc1ccc2c(C[NH+]3CCCCC3)c[nH]c2c1 ZINC000257958847 385773993 /nfs/dbraw/zinc/77/39/93/385773993.db2.gz HPMLKWIUOLBYSF-UHFFFAOYSA-N 1 0 232.302 3.293 40 0 BGABRO [NH3+]Cc1cc2cc(Cl)ccc2nc1Cl ZINC000258151334 538776467 /nfs/dbraw/zinc/77/64/67/538776467.db2.gz AQSTWGFTMBMXGO-UHFFFAOYSA-N 1 0 227.094 3.000 40 0 BGABRO Fc1ccccc1SC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000258370941 345783958 /nfs/dbraw/zinc/78/39/58/345783958.db2.gz WQDTUNAJUJSHGM-ZACCUICWSA-N 1 0 237.343 3.201 40 0 BGABRO [NH3+]Cc1cc2ccc(Cl)cc2nc1Cl ZINC000258762165 538795130 /nfs/dbraw/zinc/79/51/30/538795130.db2.gz DQQRGJDDBACTQU-UHFFFAOYSA-N 1 0 227.094 3.000 40 0 BGABRO CC(C)(C[NH3+])Cc1ccc2ccccc2c1 ZINC000259020489 349543110 /nfs/dbraw/zinc/54/31/10/349543110.db2.gz AELWLNMHLRTQAL-UHFFFAOYSA-N 1 0 213.324 3.367 40 0 BGABRO C[C@H](C[NH+](C)C)c1ccc(Br)cc1 ZINC000259075638 385010835 /nfs/dbraw/zinc/01/08/35/385010835.db2.gz XQSVLEPCIIKDAC-SECBINFHSA-N 1 0 242.160 3.114 40 0 BGABRO C[C@@H](C[NH+](C)C)c1ccc(Br)cc1 ZINC000259075641 385010357 /nfs/dbraw/zinc/01/03/57/385010357.db2.gz XQSVLEPCIIKDAC-VIFPVBQESA-N 1 0 242.160 3.114 40 0 BGABRO CCC[N@@H+]1[C@H](C)Cc2[nH]ccc2[C@H]1C(C)C ZINC000260825743 323128472 /nfs/dbraw/zinc/12/84/72/323128472.db2.gz BDTVXUSFYQGGDT-BXUZGUMPSA-N 1 0 220.360 3.368 40 0 BGABRO CCC[N@@H+]1[C@H](C)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000260825745 323128441 /nfs/dbraw/zinc/12/84/41/323128441.db2.gz BDTVXUSFYQGGDT-RISCZKNCSA-N 1 0 220.360 3.368 40 0 BGABRO CCC[N@H+]1[C@H](C(C)C)c2cc[nH]c2C[C@@H]1C ZINC000260825749 323128367 /nfs/dbraw/zinc/12/83/67/323128367.db2.gz BDTVXUSFYQGGDT-SMDDNHRTSA-N 1 0 220.360 3.368 40 0 BGABRO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1C ZINC000260825788 323128489 /nfs/dbraw/zinc/12/84/89/323128489.db2.gz CZXMJJURBHBRFN-GWCFXTLKSA-N 1 0 206.333 3.122 40 0 BGABRO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1C ZINC000260825790 323128463 /nfs/dbraw/zinc/12/84/63/323128463.db2.gz CZXMJJURBHBRFN-GXFFZTMASA-N 1 0 206.333 3.122 40 0 BGABRO CCC[C@H]1c2cc[nH]c2C[C@H](C)[N@H+]1CC ZINC000260825831 323128646 /nfs/dbraw/zinc/12/86/46/323128646.db2.gz GHMZDTVCULBYBU-GWCFXTLKSA-N 1 0 206.333 3.122 40 0 BGABRO CCC[C@@H]1c2cc[nH]c2C[C@H](C)[N@H+]1CC ZINC000260825834 323128556 /nfs/dbraw/zinc/12/85/56/323128556.db2.gz GHMZDTVCULBYBU-GXFFZTMASA-N 1 0 206.333 3.122 40 0 BGABRO CC[C@H]1c2cc[nH]c2C[C@H](C)[N@H+]1C(C)C ZINC000260825836 323128584 /nfs/dbraw/zinc/12/85/84/323128584.db2.gz GHXGLUWFLZSWLZ-GWCFXTLKSA-N 1 0 206.333 3.121 40 0 BGABRO CC[C@@H]1c2cc[nH]c2C[C@H](C)[N@H+]1C(C)C ZINC000260825839 323128570 /nfs/dbraw/zinc/12/85/70/323128570.db2.gz GHXGLUWFLZSWLZ-GXFFZTMASA-N 1 0 206.333 3.121 40 0 BGABRO CC(C)[C@H]1c2cc[nH]c2C[C@H](C)[N@H+]1C(C)C ZINC000260825840 323128699 /nfs/dbraw/zinc/12/86/99/323128699.db2.gz GNTCWMVNAQLRQQ-FZMZJTMJSA-N 1 0 220.360 3.367 40 0 BGABRO CC(C)[C@@H]1c2cc[nH]c2C[C@H](C)[N@H+]1C(C)C ZINC000260825844 323128594 /nfs/dbraw/zinc/12/85/94/323128594.db2.gz GNTCWMVNAQLRQQ-SMDDNHRTSA-N 1 0 220.360 3.367 40 0 BGABRO CC[C@H]1Cc2[nH]ccc2[C@H](C)[N@@H+]1C(C)C ZINC000260825870 323128671 /nfs/dbraw/zinc/12/86/71/323128671.db2.gz JWWNKXCAGBFPIZ-QWRGUYRKSA-N 1 0 206.333 3.121 40 0 BGABRO CC[C@@H]1Cc2[nH]ccc2[C@H](C)[N@@H+]1C(C)C ZINC000260825872 323128643 /nfs/dbraw/zinc/12/86/43/323128643.db2.gz JWWNKXCAGBFPIZ-WDEREUQCSA-N 1 0 206.333 3.121 40 0 BGABRO CC[C@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@@H+]1CC ZINC000260825884 323128634 /nfs/dbraw/zinc/12/86/34/323128634.db2.gz KYTPZLNSNPVNQE-FZMZJTMJSA-N 1 0 220.360 3.368 40 0 BGABRO CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@@H+]1CC ZINC000260825886 323128564 /nfs/dbraw/zinc/12/85/64/323128564.db2.gz KYTPZLNSNPVNQE-RISCZKNCSA-N 1 0 220.360 3.368 40 0 BGABRO CCC[N@H+]1[C@H](C)c2cc[nH]c2C[C@H]1CC ZINC000260825905 323128587 /nfs/dbraw/zinc/12/85/87/323128587.db2.gz QXOVTZZCQBERNH-GHMZBOCLSA-N 1 0 206.333 3.122 40 0 BGABRO CCC[N@H+]1[C@H](C)c2cc[nH]c2C[C@@H]1CC ZINC000260825907 323128654 /nfs/dbraw/zinc/12/86/54/323128654.db2.gz QXOVTZZCQBERNH-MNOVXSKESA-N 1 0 206.333 3.122 40 0 BGABRO CCC[N@@H+]1[C@H](CC)Cc2[nH]ccc2[C@@H]1C ZINC000260825910 323128548 /nfs/dbraw/zinc/12/85/48/323128548.db2.gz QXOVTZZCQBERNH-WDEREUQCSA-N 1 0 206.333 3.122 40 0 BGABRO CC[C@H]1Cc2[nH]ccc2[C@H](CC)[N@@H+]1CC ZINC000260825931 323128534 /nfs/dbraw/zinc/12/85/34/323128534.db2.gz USBNUFXKBJINFN-GWCFXTLKSA-N 1 0 206.333 3.122 40 0 BGABRO CC[C@@H]1Cc2[nH]ccc2[C@H](CC)[N@@H+]1CC ZINC000260825932 323128531 /nfs/dbraw/zinc/12/85/31/323128531.db2.gz USBNUFXKBJINFN-MFKMUULPSA-N 1 0 206.333 3.122 40 0 BGABRO Cc1cc([N@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000260825936 323128649 /nfs/dbraw/zinc/12/86/49/323128649.db2.gz VLPSBAKMLJIXNZ-GFCCVEGCSA-N 1 0 218.344 3.264 40 0 BGABRO Cc1cc([N@H+]2CCCC[C@H]2C)cc(C)c1N ZINC000260825972 323128626 /nfs/dbraw/zinc/12/86/26/323128626.db2.gz YZISSUXDCAAOEO-GFCCVEGCSA-N 1 0 218.344 3.264 40 0 BGABRO CCC[C@H]([NH2+]CC)C(=O)c1ccc2c(c1)CCC2 ZINC000299817170 398153529 /nfs/dbraw/zinc/15/35/29/398153529.db2.gz JKHIJQTXTPXKTI-HNNXBMFYSA-N 1 0 245.366 3.136 40 0 in-vitro BGABRO CCC[C@@H]([NH2+]CC)C(=O)c1ccc2c(c1)CCC2 ZINC000299817171 169399797 /nfs/dbraw/zinc/39/97/97/169399797.db2.gz JKHIJQTXTPXKTI-OAHLLOKOSA-N 1 0 245.366 3.136 40 0 in-vitro BGABRO CCC[C@@H]([NH2+]C(C)C)C(=O)c1ccc(F)cc1 ZINC000299817244 169398506 /nfs/dbraw/zinc/39/85/06/169398506.db2.gz OWNVSTVTZITAOJ-CYBMUJFWSA-N 1 0 237.318 3.175 40 0 in-vitro BGABRO CC(C)c1cc(Br)ccc1C[NH3+] ZINC000307404776 357346691 /nfs/dbraw/zinc/34/66/91/357346691.db2.gz LLEAZBGNGDPCIN-UHFFFAOYSA-N 1 0 228.133 3.031 40 0 BGABRO FC1(F)CCC([NH2+]C2CCCC2)CC1 ZINC000307479293 135390427 /nfs/dbraw/zinc/39/04/27/135390427.db2.gz JFHHHTVKNARCIQ-UHFFFAOYSA-N 1 0 203.276 3.097 40 0 BGABRO FC1(F)CCC([NH2+]Cc2ccccc2)CC1 ZINC000307515553 385697480 /nfs/dbraw/zinc/69/74/80/385697480.db2.gz PEMIGPZARONJRN-UHFFFAOYSA-N 1 0 225.282 3.354 40 0 BGABRO C[NH2+]CC(C)(C)C/C=C/c1ccccc1 ZINC000317023291 343792163 /nfs/dbraw/zinc/79/21/63/343792163.db2.gz UETGIESEMMRJEI-JXMROGBWSA-N 1 0 203.329 3.336 40 0 BGABRO C1=NC2=CC=C[C@@H](OCc3ccccc3)C2=C1 ZINC000329063880 188052432 /nfs/dbraw/zinc/05/24/32/188052432.db2.gz XFXMJVHYRRFYMS-OAHLLOKOSA-N 1 0 223.275 3.036 40 0 BGABRO [NH3+]C1NC(c2ccc(Cl)cc2Cl)=CS1 ZINC000334160108 133643080 /nfs/dbraw/zinc/64/30/80/133643080.db2.gz QCODFROBYFEWHH-UHFFFAOYSA-N 1 0 246.142 3.034 40 0 BGABRO C[NH2+]C[C@H](Cc1ccccc1)CC(F)(F)F ZINC000397027520 357382359 /nfs/dbraw/zinc/38/23/59/357382359.db2.gz WAEUUIFBAOXXBV-LLVKDONJSA-N 1 0 231.261 3.017 40 0 BGABRO C[NH2+]C[C@@H](Cc1ccccc1)CC(F)(F)F ZINC000397027522 343811193 /nfs/dbraw/zinc/81/11/93/343811193.db2.gz WAEUUIFBAOXXBV-NSHDSACASA-N 1 0 231.261 3.017 40 0 BGABRO CC(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409423022 350474906 /nfs/dbraw/zinc/47/49/06/350474906.db2.gz NVBGWKFCVPKACO-KBPBESRZSA-N 1 0 221.319 3.083 40 0 BGABRO CC(C)c1ccc([C@@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409423023 350475035 /nfs/dbraw/zinc/47/50/35/350475035.db2.gz NVBGWKFCVPKACO-KGLIPLIRSA-N 1 0 221.319 3.083 40 0 BGABRO CC(C)c1ccc([C@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409423024 343814254 /nfs/dbraw/zinc/81/42/54/343814254.db2.gz NVBGWKFCVPKACO-UONOGXRCSA-N 1 0 221.319 3.083 40 0 BGABRO CC(C)c1ccc([C@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409423025 343814335 /nfs/dbraw/zinc/81/43/35/343814335.db2.gz NVBGWKFCVPKACO-ZIAGYGMSSA-N 1 0 221.319 3.083 40 0 BGABRO OCCC1CC[NH+](C2CCCCCCC2)CC1 ZINC000409424883 343817804 /nfs/dbraw/zinc/81/78/04/343817804.db2.gz ZJZNMSZTRJFRKO-UHFFFAOYSA-N 1 0 239.403 3.194 40 0 BGABRO C[NH2+]C[C@@H](CC(F)(F)F)c1ccsc1 ZINC000409426195 343822123 /nfs/dbraw/zinc/82/21/23/343822123.db2.gz OTIMIGJESISTRH-MRVPVSSYSA-N 1 0 223.263 3.004 40 0 BGABRO C[NH2+]C[C@H](CC(F)(F)F)c1ccsc1 ZINC000409426201 343821745 /nfs/dbraw/zinc/82/17/45/343821745.db2.gz OTIMIGJESISTRH-QMMMGPOBSA-N 1 0 223.263 3.004 40 0 BGABRO C[NH2+]C[C@H](Cc1cccs1)CC(F)(F)F ZINC000409428051 343802727 /nfs/dbraw/zinc/80/27/27/343802727.db2.gz YNJROQSAUWVUPA-MRVPVSSYSA-N 1 0 237.290 3.079 40 0 BGABRO C[NH2+]C[C@@H](Cc1cccs1)CC(F)(F)F ZINC000409428058 343802656 /nfs/dbraw/zinc/80/26/56/343802656.db2.gz YNJROQSAUWVUPA-QMMMGPOBSA-N 1 0 237.290 3.079 40 0 BGABRO C[NH2+]C[C@H](CC(F)(F)F)C1CCCCC1 ZINC000409428243 343803241 /nfs/dbraw/zinc/80/32/41/343803241.db2.gz ZMWYRLSLHSJQKF-JTQLQIEISA-N 1 0 223.282 3.355 40 0 BGABRO C[NH2+]C[C@@H](CC(F)(F)F)C1CCCCC1 ZINC000409428255 343803171 /nfs/dbraw/zinc/80/31/71/343803171.db2.gz ZMWYRLSLHSJQKF-SNVBAGLBSA-N 1 0 223.282 3.355 40 0 BGABRO CC1(C)C[NH2+]C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000409428793 385326841 /nfs/dbraw/zinc/32/68/41/385326841.db2.gz ASMRXTFVKHAPOA-LLVKDONJSA-N 1 0 241.281 3.001 40 0 BGABRO CC1(C)C[NH2+]C[C@H]1c1ccc(OC(F)F)cc1 ZINC000409428799 385327333 /nfs/dbraw/zinc/32/73/33/385327333.db2.gz ASMRXTFVKHAPOA-NSHDSACASA-N 1 0 241.281 3.001 40 0 BGABRO CC1(C)C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000409429341 343805250 /nfs/dbraw/zinc/80/52/50/343805250.db2.gz CFITVPOREJWMGQ-LLVKDONJSA-N 1 0 243.272 3.418 40 0 BGABRO CC1(C)C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000409429353 343805300 /nfs/dbraw/zinc/80/53/00/343805300.db2.gz CFITVPOREJWMGQ-NSHDSACASA-N 1 0 243.272 3.418 40 0 BGABRO CC1(C)C[NH2+]C[C@@H]1c1ccccc1C(F)(F)F ZINC000409430094 343807590 /nfs/dbraw/zinc/80/75/90/343807590.db2.gz FBECTCJJHRJYBC-LLVKDONJSA-N 1 0 243.272 3.418 40 0 BGABRO CC1(C)C[NH2+]C[C@H]1c1ccccc1C(F)(F)F ZINC000409430096 343807478 /nfs/dbraw/zinc/80/74/78/343807478.db2.gz FBECTCJJHRJYBC-NSHDSACASA-N 1 0 243.272 3.418 40 0 BGABRO CSc1ccc([C@H]2C[NH2+]CC2(C)C)cc1 ZINC000409434205 383829989 /nfs/dbraw/zinc/82/99/89/383829989.db2.gz VJMMVSBJKNYUTI-GFCCVEGCSA-N 1 0 221.369 3.122 40 0 BGABRO CSc1ccc([C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000409434212 383829116 /nfs/dbraw/zinc/82/91/16/383829116.db2.gz VJMMVSBJKNYUTI-LBPRGKRZSA-N 1 0 221.369 3.122 40 0 BGABRO CC1(C)C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000409434242 350474407 /nfs/dbraw/zinc/47/44/07/350474407.db2.gz VSLPYKAEKYUGRY-LLVKDONJSA-N 1 0 243.272 3.418 40 0 BGABRO CC1(C)C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000409434243 383830468 /nfs/dbraw/zinc/83/04/68/383830468.db2.gz VSLPYKAEKYUGRY-NSHDSACASA-N 1 0 243.272 3.418 40 0 BGABRO C[C@H]1CCn2cc(-c3ccsc3)nc2C1 ZINC000409437367 343842948 /nfs/dbraw/zinc/84/29/48/343842948.db2.gz FTINUKPAKIMPLN-VIFPVBQESA-N 1 0 218.325 3.194 40 0 BGABRO [NH3+]Cc1c(-c2ccsc2)n[nH]c1C1CCCC1 ZINC000409440669 343853059 /nfs/dbraw/zinc/85/30/59/343853059.db2.gz NUQMCYGELFXTFC-UHFFFAOYSA-N 1 0 247.367 3.255 40 0 BGABRO C[NH2+]Cc1c(C2CCC2)[nH]nc1C1CCCC1 ZINC000409441064 343855036 /nfs/dbraw/zinc/85/50/36/343855036.db2.gz PSSUJQKDXHYXBT-UHFFFAOYSA-N 1 0 233.359 3.054 40 0 BGABRO [NH3+]Cc1c(-c2cccs2)n[nH]c1C1CCCC1 ZINC000409441093 343854957 /nfs/dbraw/zinc/85/49/57/343854957.db2.gz QHESQBQYECIPLW-UHFFFAOYSA-N 1 0 247.367 3.255 40 0 BGABRO C[NH2+]Cc1c(-c2cccs2)n[nH]c1C1CCC1 ZINC000409442089 343857285 /nfs/dbraw/zinc/85/72/85/343857285.db2.gz WKSLYBZTHVOJAY-UHFFFAOYSA-N 1 0 247.367 3.125 40 0 BGABRO C[NH2+]Cc1c(-c2ccsc2)n[nH]c1C1CCC1 ZINC000409442225 343857532 /nfs/dbraw/zinc/85/75/32/343857532.db2.gz XSPFCNDHKYLFOK-UHFFFAOYSA-N 1 0 247.367 3.125 40 0 BGABRO [NH3+]Cc1cc(-c2ccsc2)nn1C1CCCC1 ZINC000409444029 343863822 /nfs/dbraw/zinc/86/38/22/343863822.db2.gz ZAIMXIZYLLBGPP-UHFFFAOYSA-N 1 0 247.367 3.185 40 0 BGABRO C[C@H]1CN(C(C)(C)C)[C@H](c2ccccc2)O1 ZINC000521824912 388656918 /nfs/dbraw/zinc/65/69/18/388656918.db2.gz NVTFFDANJRLTOH-AAEUAGOBSA-N 1 0 219.328 3.204 40 0 BGABRO C[C@@H]1CN(C(C)(C)C)[C@@H](c2ccccc2)O1 ZINC000521824913 388657082 /nfs/dbraw/zinc/65/70/82/388657082.db2.gz NVTFFDANJRLTOH-DGCLKSJQSA-N 1 0 219.328 3.204 40 0 BGABRO C[C@@H]1CN(C(C)(C)C)[C@H](c2ccccc2)O1 ZINC000521824915 388657227 /nfs/dbraw/zinc/65/72/27/388657227.db2.gz NVTFFDANJRLTOH-YPMHNXCESA-N 1 0 219.328 3.204 40 0 BGABRO CC(C)CCCC[C@@H]([NH3+])c1ccccn1 ZINC000575421984 387032817 /nfs/dbraw/zinc/03/28/17/387032817.db2.gz DXOCCBYLHYPJBH-GFCCVEGCSA-N 1 0 206.333 3.298 40 0 BGABRO CC(C)CCCC[C@H]([NH3+])c1ccccn1 ZINC000575421993 385264715 /nfs/dbraw/zinc/26/47/15/385264715.db2.gz DXOCCBYLHYPJBH-LBPRGKRZSA-N 1 0 206.333 3.298 40 0 BGABRO CCC[C@H]([NH2+]CC)C(=O)c1ccc(C)c(C)c1 ZINC000575598568 487862498 /nfs/dbraw/zinc/86/24/98/487862498.db2.gz VMIDGCVGMTTZLP-AWEZNQCLSA-N 1 0 233.355 3.264 40 0 in-vitro BGABRO CCC[C@@H]([NH2+]CC)C(=O)c1ccc(C)c(C)c1 ZINC000575598570 487862755 /nfs/dbraw/zinc/86/27/55/487862755.db2.gz VMIDGCVGMTTZLP-CQSZACIVSA-N 1 0 233.355 3.264 40 0 in-vitro BGABRO [NH3+]Cc1cc2c(Cl)cccc2nc1Cl ZINC000685937497 538759449 /nfs/dbraw/zinc/75/94/49/538759449.db2.gz ZMDOUCKSYSGRQT-UHFFFAOYSA-N 1 0 227.094 3.000 40 0 BGABRO CC(C)c1cc(N(C)C)nc2c(N)cccc12 ZINC000685937912 538761937 /nfs/dbraw/zinc/76/19/37/538761937.db2.gz AMXCRPCBWQHJMI-UHFFFAOYSA-N 1 0 229.327 3.006 40 0 BGABRO