smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000000000294 170140358 /nfs/dbraw/zinc/14/03/58/170140358.db2.gz DBGIVFWFUFKIQN-VIFPVBQESA-N 1 0 231.261 3.246 50 0 world BGAARO CC[C@]1(c2cccc(O)c2)CCCC[N@H+](C)C1 ZINC000000000460 342669295 /nfs/dbraw/zinc/66/92/95/342669295.db2.gz JLICHNCFTLFZJN-HNNXBMFYSA-N 1 0 233.355 3.156 50 0 world BGAARO C[NH+](C)CC[C@@H](c1ccccc1)c1ccccn1 ZINC000000000607 383817981 /nfs/dbraw/zinc/81/79/81/383817981.db2.gz IJHNSHDBIRRJRN-HNNXBMFYSA-N 1 0 240.350 3.165 50 0 fda BGAARO CCC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000000000681 383817917 /nfs/dbraw/zinc/81/79/17/383817917.db2.gz SWUVZKWCOBGPTH-OAHLLOKOSA-N 1 0 245.366 3.442 50 0 in-man BGAARO CC[C@@]1(c2cccc(O)c2)CCCC[N@H+](C)C1 ZINC000000000854 171216577 /nfs/dbraw/zinc/21/65/77/171216577.db2.gz JLICHNCFTLFZJN-OAHLLOKOSA-N 1 0 233.355 3.156 50 0 world BGAARO CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000000001612 170157539 /nfs/dbraw/zinc/15/75/39/170157539.db2.gz DBGIVFWFUFKIQN-SECBINFHSA-N 1 0 231.261 3.246 50 0 world BGAARO O=C(CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000000001978 342669292 /nfs/dbraw/zinc/66/92/92/342669292.db2.gz LUKOGYUKYPZBFP-UHFFFAOYSA-N 1 0 249.329 3.275 50 0 in-man BGAARO Clc1cccc(Nc2cc[nH+]cc2)c1 ZINC000000004152 342669490 /nfs/dbraw/zinc/66/94/90/342669490.db2.gz CXWUXSUANKKWJK-UHFFFAOYSA-N 1 0 204.660 3.479 50 0 BGAARO Cc1ccsc1[C@H]([NH3+])Cc1ccccc1 ZINC000000005289 342669455 /nfs/dbraw/zinc/66/94/55/342669455.db2.gz VCWBYJUTEWCXHW-GFCCVEGCSA-N 1 0 217.337 3.299 50 0 BGAARO CC1(C)C=Cc2c(N)c3ccccc3[nH+]c2C1 ZINC000000012173 187753921 /nfs/dbraw/zinc/75/39/21/187753921.db2.gz LXEOASMACBAUBO-UHFFFAOYSA-N 1 0 224.307 3.413 50 0 BGAARO C[C@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000000020228 491083732 /nfs/dbraw/zinc/08/37/32/491083732.db2.gz SNPPWIUOZRMYNY-VIFPVBQESA-N 1 0 239.746 3.299 50 0 fda BGAARO CC[C@@H](c1cccc(O)c1)[C@@H](C)C[NH+](C)C ZINC000000020783 491083760 /nfs/dbraw/zinc/08/37/60/491083760.db2.gz KWTWDQCKEHXFFR-SMDDNHRTSA-N 1 0 221.344 3.084 50 0 fda BGAARO CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000000033730 170108379 /nfs/dbraw/zinc/10/83/79/170108379.db2.gz MXEMMRONJLUDCG-UHFFFAOYSA-N 1 0 209.720 3.329 50 0 BGAARO CC[NH+](CC)CCOc1ccccc1Cl ZINC000000036679 487800419 /nfs/dbraw/zinc/80/04/19/487800419.db2.gz OKSLIQGIWBMRPT-UHFFFAOYSA-N 1 0 227.735 3.061 50 0 BGAARO c1sc2ccccc2[n+]1Cc1ccccc1 ZINC000000041240 383819184 /nfs/dbraw/zinc/81/91/84/383819184.db2.gz DUYUXBIGMDWPQH-UHFFFAOYSA-N 1 0 226.324 3.237 50 0 BGAARO Cc1cc(C)[n+]2c(-c3ccccc3)csc2n1 ZINC000000041311 383819072 /nfs/dbraw/zinc/81/90/72/383819072.db2.gz ZBHYRSZMJSZJIM-UHFFFAOYSA-N 1 0 241.339 3.166 50 0 BGAARO C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000000044124 172855717 /nfs/dbraw/zinc/85/57/17/172855717.db2.gz ZHOJUOUECSNKEN-UHFFFAOYSA-N 1 0 247.338 3.180 50 0 BGAARO c1[nH]c2ccccc2c1C[NH+]1CCCCC1 ZINC000000050819 183437007 /nfs/dbraw/zinc/43/70/07/183437007.db2.gz HPKXPFRRVVWAPD-UHFFFAOYSA-N 1 0 214.312 3.154 50 0 BGAARO CCN1[NH+]=C(C)C=C(C)n2c3ccccc3nc21 ZINC000000051942 170040470 /nfs/dbraw/zinc/04/04/70/170040470.db2.gz ZTBYRFGESQRXAE-UHFFFAOYSA-N 1 0 240.310 3.113 50 0 BGAARO C[N@H+](Cc1ccccc1N)C1CCCCC1 ZINC000000057065 383820769 /nfs/dbraw/zinc/82/07/69/383820769.db2.gz MTVBBLNLYSYKCQ-UHFFFAOYSA-N 1 0 218.344 3.033 50 0 in-vitro BGAARO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000000057206 383822078 /nfs/dbraw/zinc/82/20/78/383822078.db2.gz SNPPWIUOZRMYNY-SECBINFHSA-N 1 0 239.746 3.299 50 0 fda BGAARO Cc1ccc(C(=O)[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000000057519 383821080 /nfs/dbraw/zinc/82/10/80/383821080.db2.gz FSKFPVLPFLJRQB-AWEZNQCLSA-N 1 0 245.366 3.300 50 0 world BGAARO Cc1ccc(C(=O)[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000000057520 383821301 /nfs/dbraw/zinc/82/13/01/383821301.db2.gz FSKFPVLPFLJRQB-CQSZACIVSA-N 1 0 245.366 3.300 50 0 world BGAARO Cc1cc(C(C)(C)C)cc(C)c1CC1=[NH+]CCN1 ZINC000000057534 387421657 /nfs/dbraw/zinc/42/16/57/387421657.db2.gz HUCJFAOMUPXHDK-UHFFFAOYSA-N 1 0 244.382 3.145 50 0 fda BGAARO CC1(C)CC[C@]2(C)CCC(C)(C)[NH+]=C2N1 ZINC000000057627 342672154 /nfs/dbraw/zinc/67/21/54/342672154.db2.gz OEOPGVPCZRQSMQ-UHFFFAOYSA-N 1 0 208.349 3.126 50 0 BGAARO Cc1ccc(-c2cnc3ccccc3[n+]2C)c(C)c1 ZINC000000064438 178328922 /nfs/dbraw/zinc/32/89/22/178328922.db2.gz HIWPOVJHQVSGIP-UHFFFAOYSA-N 1 0 249.337 3.343 50 0 BGAARO Clc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000000076985 342673131 /nfs/dbraw/zinc/67/31/31/342673131.db2.gz FAAFCUORVZBCEF-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO C[C@H]1C[N@@H+](C(C)(C)C)CC[C@]1(O)c1ccccc1 ZINC000000080863 177232388 /nfs/dbraw/zinc/23/23/88/177232388.db2.gz BXLPAZLWXATNBH-XJKSGUPXSA-N 1 0 247.382 3.015 50 0 BGAARO c1ccc2c(c1)[nH]c1c2CC[NH2+]C12CCCCC2 ZINC000000083421 487532866 /nfs/dbraw/zinc/53/28/66/487532866.db2.gz OTFRJPUPCOSKKS-UHFFFAOYSA-N 1 0 240.350 3.473 50 0 BGAARO Cc1[nH]c2c(ccc(Cl)c2Cl)c1CC[NH3+] ZINC000000091949 177509361 /nfs/dbraw/zinc/50/93/61/177509361.db2.gz RKLLUQRANMGAGX-UHFFFAOYSA-N 1 0 243.137 3.284 50 0 BGAARO Cc1[nH]c2c(cccc2C(C)C)c1CC[NH3+] ZINC000000098103 187407620 /nfs/dbraw/zinc/40/76/20/187407620.db2.gz BRYGVPCVLAGUHL-UHFFFAOYSA-N 1 0 216.328 3.101 50 0 BGAARO CCN(CC)C(=[NH2+])N1c2ccccc2CC[C@H]1C ZINC000000109130 535391003 /nfs/dbraw/zinc/39/10/03/535391003.db2.gz UNMCBCZIHXWFEM-GFCCVEGCSA-N 1 0 245.370 3.104 50 0 BGAARO CCN(CC)C(=[NH2+])N1c2ccccc2CC[C@@H]1C ZINC000000109131 535391874 /nfs/dbraw/zinc/39/18/74/535391874.db2.gz UNMCBCZIHXWFEM-LBPRGKRZSA-N 1 0 245.370 3.104 50 0 BGAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000000110236 181454863 /nfs/dbraw/zinc/45/48/63/181454863.db2.gz HEBVBIGUNHPPLF-CQSZACIVSA-N 1 0 236.318 3.259 50 0 BGAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000000110239 383826917 /nfs/dbraw/zinc/82/69/17/383826917.db2.gz HEBVBIGUNHPPLF-AWEZNQCLSA-N 1 0 236.318 3.259 50 0 BGAARO [NH3+]Cc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000000110953 383827684 /nfs/dbraw/zinc/82/76/84/383827684.db2.gz JVCWQNOSSGHNTJ-UHFFFAOYSA-N 1 0 244.043 3.471 50 0 BGAARO [NH3+]C[C@H](Cc1ccccc1F)c1ccccc1 ZINC000000112544 383826681 /nfs/dbraw/zinc/82/66/81/383826681.db2.gz AVXOIIFYQXGQRL-AWEZNQCLSA-N 1 0 229.298 3.111 50 0 BGAARO [NH3+]C[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000000112546 383827697 /nfs/dbraw/zinc/82/76/97/383827697.db2.gz AVXOIIFYQXGQRL-CQSZACIVSA-N 1 0 229.298 3.111 50 0 BGAARO CC[NH+](CC)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000000117502 344550489 /nfs/dbraw/zinc/55/04/89/344550489.db2.gz FGJWPDYCXDGVNM-UHFFFAOYSA-N 1 0 244.338 3.001 50 0 BGAARO [NH3+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000120199 383830875 /nfs/dbraw/zinc/83/08/75/383830875.db2.gz DHVHORCFFOSRBP-UHFFFAOYSA-N 1 0 243.150 3.183 50 0 BGAARO Cc1ccc2[nH+]c(C)cc(N3CCCC3)c2c1 ZINC000000120822 344553114 /nfs/dbraw/zinc/55/31/14/344553114.db2.gz VDUBKRIKRAAMKQ-UHFFFAOYSA-N 1 0 226.323 3.452 50 0 BGAARO c1csc(C[NH2+]Cc2cccs2)c1 ZINC000000128023 342675981 /nfs/dbraw/zinc/67/59/81/342675981.db2.gz RPLOKUQDTWODSZ-UHFFFAOYSA-N 1 0 209.339 3.099 50 0 BGAARO CC[C@@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000000139720 171194347 /nfs/dbraw/zinc/19/43/47/171194347.db2.gz ZLFRZTFZUNLLDJ-MRXNPFEDSA-N 1 0 247.382 3.160 50 0 BGAARO CC[C@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000000139723 171709130 /nfs/dbraw/zinc/70/91/30/171709130.db2.gz ZLFRZTFZUNLLDJ-INIZCTEOSA-N 1 0 247.382 3.160 50 0 BGAARO Cc1[nH]c2c(cc(Cl)cc2Cl)c1CC[NH3+] ZINC000000140713 177509393 /nfs/dbraw/zinc/50/93/93/177509393.db2.gz HODDRUBPMDTGGJ-UHFFFAOYSA-N 1 0 243.137 3.284 50 0 BGAARO Cc1[nH]c2c(c1CC[NH3+])c(Cl)ccc2Cl ZINC000000140724 342676565 /nfs/dbraw/zinc/67/65/65/342676565.db2.gz HTUUKBBIGLELJY-UHFFFAOYSA-N 1 0 243.137 3.284 50 0 BGAARO [NH2+]=C1c2ccccc2C(=O)[C@@H]1c1ccccc1 ZINC000000140906 181207874 /nfs/dbraw/zinc/20/78/74/181207874.db2.gz SSNSXBMTVMEFKG-CYBMUJFWSA-N 1 0 221.259 3.035 50 0 BGAARO CC1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000000142608 168183496 /nfs/dbraw/zinc/18/34/96/168183496.db2.gz DGCGMYNLCDVYMB-UHFFFAOYSA-N 1 0 228.339 3.400 50 0 in-vivo BGAARO C1=C(c2ccccc2)N2CCCCN=C2S1 ZINC000000144323 187243917 /nfs/dbraw/zinc/24/39/17/187243917.db2.gz JBVANCRNXWGIDN-UHFFFAOYSA-N 1 0 230.336 3.184 50 0 BGAARO [NH2+]=C(NCc1ccccc1)c1ccc(Cl)cc1 ZINC000000145162 181199311 /nfs/dbraw/zinc/19/93/11/181199311.db2.gz UXJDEKUGJUQMDW-UHFFFAOYSA-N 1 0 244.725 3.455 50 0 BGAARO CC[n+]1c(C)scc1-c1ccccc1 ZINC000000150858 191108144 /nfs/dbraw/zinc/10/81/44/191108144.db2.gz LSPPRQAGWDMJKW-UHFFFAOYSA-N 1 0 204.318 3.031 50 0 BGAARO [NH3+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000000155169 342677628 /nfs/dbraw/zinc/67/76/28/342677628.db2.gz XAFODXGEQUOEKN-ZDUSSCGKSA-N 1 0 217.699 3.388 50 0 BGAARO [NH3+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000000155170 342677709 /nfs/dbraw/zinc/67/77/09/342677709.db2.gz XAFODXGEQUOEKN-CYBMUJFWSA-N 1 0 217.699 3.388 50 0 BGAARO COc1ccc(Cn2ccnc2)cc1C(C)(C)C ZINC000000155467 188272194 /nfs/dbraw/zinc/27/21/94/188272194.db2.gz DUKDDGSDWJIMFJ-UHFFFAOYSA-N 1 0 244.338 3.238 50 0 BGAARO Nc1cc(Cl)ccc1Nc1cc[nH+]cc1 ZINC000000158735 342678154 /nfs/dbraw/zinc/67/81/54/342678154.db2.gz LSMXFIQZRFSQBH-UHFFFAOYSA-N 1 0 219.675 3.061 50 0 BGAARO c1ccn(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000000161500 183397252 /nfs/dbraw/zinc/39/72/52/183397252.db2.gz UPRFZLANTXURKF-UHFFFAOYSA-N 1 0 240.350 3.325 50 0 in-vivo BGAARO O[C@@H]1C[C@H](c2ccccc2)[NH2+]C2(CCCCC2)C1 ZINC000000163947 183211417 /nfs/dbraw/zinc/21/14/17/183211417.db2.gz RXFNFESRQAGJJM-HUUCEWRRSA-N 1 0 245.366 3.175 50 0 BGAARO O[C@@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCCC2)C1 ZINC000000163950 183212303 /nfs/dbraw/zinc/21/23/03/183212303.db2.gz RXFNFESRQAGJJM-CABCVRRESA-N 1 0 245.366 3.175 50 0 BGAARO O[C@H]1C[C@H](c2ccccc2)[NH2+]C2(CCCCC2)C1 ZINC000000163953 183249046 /nfs/dbraw/zinc/24/90/46/183249046.db2.gz RXFNFESRQAGJJM-LSDHHAIUSA-N 1 0 245.366 3.175 50 0 BGAARO O[C@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCCC2)C1 ZINC000000163955 183248140 /nfs/dbraw/zinc/24/81/40/183248140.db2.gz RXFNFESRQAGJJM-GJZGRUSLSA-N 1 0 245.366 3.175 50 0 BGAARO c1sc2ccccc2c1C[NH+]1CCCC1 ZINC000000164331 383840615 /nfs/dbraw/zinc/84/06/15/383840615.db2.gz UTQCRPLAIJSSAP-UHFFFAOYSA-N 1 0 217.337 3.497 50 0 BGAARO Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1O ZINC000000166603 178005967 /nfs/dbraw/zinc/00/59/67/178005967.db2.gz MHNMNWZBRZMGEJ-TXEJJXNPSA-N 1 0 247.382 3.487 50 0 BGAARO Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)c1O ZINC000000166604 178004803 /nfs/dbraw/zinc/00/48/03/178004803.db2.gz MHNMNWZBRZMGEJ-RYUDHWBXSA-N 1 0 247.382 3.487 50 0 BGAARO Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)c1O ZINC000000166606 178007633 /nfs/dbraw/zinc/00/76/33/178007633.db2.gz MHNMNWZBRZMGEJ-VXGBXAGGSA-N 1 0 247.382 3.487 50 0 BGAARO Cc1nc(-c2ccc(Cl)cc2)sc1C[NH3+] ZINC000000168855 383839704 /nfs/dbraw/zinc/83/97/04/383839704.db2.gz FMLXOUPJBDGSMT-UHFFFAOYSA-N 1 0 238.743 3.231 50 0 BGAARO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000000172164 175107987 /nfs/dbraw/zinc/10/79/87/175107987.db2.gz LIBJHDIVUMLQNL-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO COc1ccc(C[NH2+]Cc2ccccc2C)cc1 ZINC000000172199 175107732 /nfs/dbraw/zinc/10/77/32/175107732.db2.gz FYGYXNSSEGQBPC-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1 ZINC000000172228 175107825 /nfs/dbraw/zinc/10/78/25/175107825.db2.gz KXRKPGJCQZNRGF-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO CC[C@@]1(c2ccccc2)c2ccccc2NC1=[NH2+] ZINC000000173422 342679125 /nfs/dbraw/zinc/67/91/25/342679125.db2.gz GXFMRQNBMIFYHA-MRXNPFEDSA-N 1 0 236.318 3.385 50 0 BGAARO CC[C@]1(c2ccccc2)c2ccccc2NC1=[NH2+] ZINC000000173423 171215433 /nfs/dbraw/zinc/21/54/33/171215433.db2.gz GXFMRQNBMIFYHA-INIZCTEOSA-N 1 0 236.318 3.385 50 0 BGAARO C[NH+](C)CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000173944 383838842 /nfs/dbraw/zinc/83/88/42/383838842.db2.gz QHSLJPRTQSMDTI-UHFFFAOYSA-N 1 0 233.355 3.119 50 0 BGAARO CCOc1ccc(C(C)=O)cc1C[NH+](CC)CC ZINC000000174301 342679157 /nfs/dbraw/zinc/67/91/57/342679157.db2.gz OKDUCJHXOFSNED-UHFFFAOYSA-N 1 0 249.354 3.130 50 0 BGAARO COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000000182169 175108796 /nfs/dbraw/zinc/10/87/96/175108796.db2.gz UDAMQTRGVKVYKM-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO Clc1ccccc1OCC[NH+]1CCCCC1 ZINC000000182274 363049475 /nfs/dbraw/zinc/04/94/75/363049475.db2.gz BQBFAQWCQRNARN-UHFFFAOYSA-N 1 0 239.746 3.205 50 0 BGAARO CC[NH+](CC)CCOc1cccc(Cl)c1 ZINC000000182415 345429915 /nfs/dbraw/zinc/42/99/15/345429915.db2.gz IMTRAVTUVOTXEF-UHFFFAOYSA-N 1 0 227.735 3.061 50 0 BGAARO CC[NH+](CC)CCOc1cc(C)ccc1C ZINC000000182434 342679494 /nfs/dbraw/zinc/67/94/94/342679494.db2.gz PNCJPZZWFHTPLA-UHFFFAOYSA-N 1 0 221.344 3.024 50 0 BGAARO CC[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC000000183174 343268749 /nfs/dbraw/zinc/26/87/49/343268749.db2.gz YTRCZADXDUOUHF-UHFFFAOYSA-N 1 0 226.323 3.104 50 0 BGAARO COc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000000183464 175330388 /nfs/dbraw/zinc/33/03/88/175330388.db2.gz FYWXKQKJNZOYEM-GXTWGEPZSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000000183468 175330220 /nfs/dbraw/zinc/33/02/20/175330220.db2.gz FYWXKQKJNZOYEM-TZMCWYRMSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000000183472 175331111 /nfs/dbraw/zinc/33/11/11/175331111.db2.gz FYWXKQKJNZOYEM-JSGCOSHPSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000000183474 175331791 /nfs/dbraw/zinc/33/17/91/175331791.db2.gz FYWXKQKJNZOYEM-OCCSQVGLSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1CC[NH2+]C1CCCCC1 ZINC000000183554 175323737 /nfs/dbraw/zinc/32/37/37/175323737.db2.gz ZWEZJGGVPANLEE-UHFFFAOYSA-N 1 0 233.355 3.160 50 0 BGAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1 ZINC000000183725 383842748 /nfs/dbraw/zinc/84/27/48/383842748.db2.gz CCZUQBAVKRBDBG-MRXNPFEDSA-N 1 0 238.334 3.249 50 0 BGAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000000183730 383842118 /nfs/dbraw/zinc/84/21/18/383842118.db2.gz CCZUQBAVKRBDBG-INIZCTEOSA-N 1 0 238.334 3.249 50 0 BGAARO C[C@H]([NH3+])Cc1c[nH]c2c1ccc1ccccc21 ZINC000000186402 642751178 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C[n+]1c2ccccc2sc1-c1ccccc1 ZINC000000272730 188099475 /nfs/dbraw/zinc/09/94/75/188099475.db2.gz RFFALINBQQJQGC-UHFFFAOYSA-N 1 0 226.324 3.393 50 0 BGAARO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2)o1 ZINC000000276774 342682203 /nfs/dbraw/zinc/68/22/03/342682203.db2.gz XJDMKPUUJXVUSW-LBPRGKRZSA-N 1 0 229.323 3.309 50 0 BGAARO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2)o1 ZINC000000276776 342682212 /nfs/dbraw/zinc/68/22/12/342682212.db2.gz XJDMKPUUJXVUSW-GFCCVEGCSA-N 1 0 229.323 3.309 50 0 BGAARO C/C=C(\C)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000000276960 533430991 /nfs/dbraw/zinc/43/09/91/533430991.db2.gz DNQSSBPVSHYEOZ-LNKIKWGQSA-N 1 0 244.382 3.083 50 0 BGAARO COc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000000277471 188099455 /nfs/dbraw/zinc/09/94/55/188099455.db2.gz XDKZTJMBMMIJTG-UHFFFAOYSA-N 1 0 241.334 3.327 50 0 BGAARO C[N@H+](Cc1cccc(O)c1)C1CCCCC1 ZINC000000277505 384991307 /nfs/dbraw/zinc/99/13/07/384991307.db2.gz MBTFMBDFUVRROO-UHFFFAOYSA-N 1 0 219.328 3.157 50 0 BGAARO Cc1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000000277541 342682164 /nfs/dbraw/zinc/68/21/64/342682164.db2.gz IKQNVEFSYPNWCA-UHFFFAOYSA-N 1 0 227.307 3.146 50 0 BGAARO CCC[N@H+](CCO)Cc1ccc(C(C)C)cc1 ZINC000000277739 169166258 /nfs/dbraw/zinc/16/62/58/169166258.db2.gz OVAAUYDCMQLRBE-UHFFFAOYSA-N 1 0 235.371 3.014 50 0 BGAARO COc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1C ZINC000000277931 175098946 /nfs/dbraw/zinc/09/89/46/175098946.db2.gz MKJXJNCXFZHYPV-CYBMUJFWSA-N 1 0 233.355 3.378 50 0 BGAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000000277935 175098818 /nfs/dbraw/zinc/09/88/18/175098818.db2.gz MKJXJNCXFZHYPV-ZDUSSCGKSA-N 1 0 233.355 3.378 50 0 BGAARO Cc1ccc(C[N@@H+](C)Cc2ccccc2)o1 ZINC000000278104 344674557 /nfs/dbraw/zinc/67/45/57/344674557.db2.gz PLXKOSIEYNAHBU-UHFFFAOYSA-N 1 0 215.296 3.220 50 0 BGAARO CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000000278107 345825208 /nfs/dbraw/zinc/82/52/08/345825208.db2.gz GKRBDQVHLHKNDP-UHFFFAOYSA-N 1 0 215.296 3.302 50 0 BGAARO CCOc1cc(C[NH+]2CCCCC2)ccc1OC ZINC000000278612 342682003 /nfs/dbraw/zinc/68/20/03/342682003.db2.gz FRKALFGAVVBKKL-UHFFFAOYSA-N 1 0 249.354 3.080 50 0 BGAARO CCC[N@H+](CCO)Cc1cccc2ccccc21 ZINC000000278912 169167550 /nfs/dbraw/zinc/16/75/50/169167550.db2.gz TZHJOFQXFSADAD-UHFFFAOYSA-N 1 0 243.350 3.044 50 0 BGAARO C[N@H+](CCc1ccccc1)Cc1ccc(O)cc1 ZINC000000279126 356952403 /nfs/dbraw/zinc/95/24/03/356952403.db2.gz DDUYNRPVBFQQSQ-UHFFFAOYSA-N 1 0 241.334 3.067 50 0 BGAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccncc1 ZINC000000279508 342682173 /nfs/dbraw/zinc/68/21/73/342682173.db2.gz YISYWSYTOXIDOU-AWEZNQCLSA-N 1 0 240.350 3.193 50 0 BGAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccncc1 ZINC000000279511 342682189 /nfs/dbraw/zinc/68/21/89/342682189.db2.gz YISYWSYTOXIDOU-CQSZACIVSA-N 1 0 240.350 3.193 50 0 BGAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCC(C)CC1 ZINC000000280450 168164980 /nfs/dbraw/zinc/16/49/80/168164980.db2.gz AYBRFEFKMKMFRU-MOKVOYLWSA-N 1 0 241.419 3.484 50 0 BGAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCC(C)CC1 ZINC000000280451 168165407 /nfs/dbraw/zinc/16/54/07/168165407.db2.gz AYBRFEFKMKMFRU-ROKHWSDSSA-N 1 0 241.419 3.484 50 0 BGAARO c1coc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000000280528 342682198 /nfs/dbraw/zinc/68/21/98/342682198.db2.gz DOXOAHBMIXAJAL-UHFFFAOYSA-N 1 0 231.339 3.194 50 0 BGAARO Fc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000000280823 342682155 /nfs/dbraw/zinc/68/21/55/342682155.db2.gz SXZSRGKJZKOZRP-UHFFFAOYSA-N 1 0 215.271 3.116 50 0 BGAARO CCc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000281724 384008508 /nfs/dbraw/zinc/00/85/08/384008508.db2.gz LTICPROUSFEPLJ-AWEZNQCLSA-N 1 0 240.350 3.184 50 0 BGAARO CCc1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000000281727 384007284 /nfs/dbraw/zinc/00/72/84/384007284.db2.gz LTICPROUSFEPLJ-CQSZACIVSA-N 1 0 240.350 3.184 50 0 BGAARO CC[NH+](CC)Cc1c[nH]c2ccccc12 ZINC000000289955 346406849 /nfs/dbraw/zinc/40/68/49/346406849.db2.gz RCGABEQHDDFFRR-UHFFFAOYSA-N 1 0 202.301 3.010 50 0 BGAARO c1ccc2c(c1)cccc2C[NH+]1CCSCC1 ZINC000000292256 383851920 /nfs/dbraw/zinc/85/19/20/383851920.db2.gz XXDYICWCXNQCSJ-UHFFFAOYSA-N 1 0 243.375 3.389 50 0 BGAARO CO[C@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000000292980 174875924 /nfs/dbraw/zinc/87/59/24/174875924.db2.gz JZDQZLOTEYWYNS-KGLIPLIRSA-N 1 0 225.376 3.256 50 0 BGAARO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000000292982 342682409 /nfs/dbraw/zinc/68/24/09/342682409.db2.gz JZDQZLOTEYWYNS-ZIAGYGMSSA-N 1 0 225.376 3.256 50 0 BGAARO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000000292983 383849877 /nfs/dbraw/zinc/84/98/77/383849877.db2.gz JZDQZLOTEYWYNS-KBPBESRZSA-N 1 0 225.376 3.256 50 0 BGAARO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000000292987 174740116 /nfs/dbraw/zinc/74/01/16/174740116.db2.gz JZDQZLOTEYWYNS-UONOGXRCSA-N 1 0 225.376 3.256 50 0 BGAARO COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000000293006 175108729 /nfs/dbraw/zinc/10/87/29/175108729.db2.gz SAEBHLLFWLCZQP-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000000293166 175266727 /nfs/dbraw/zinc/26/67/27/175266727.db2.gz ZPCKFKYWLQCLJV-SWLSCSKDSA-N 1 0 233.355 3.364 50 0 BGAARO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000000293167 175266409 /nfs/dbraw/zinc/26/64/09/175266409.db2.gz ZPCKFKYWLQCLJV-IUODEOHRSA-N 1 0 233.355 3.364 50 0 BGAARO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000000293168 175268242 /nfs/dbraw/zinc/26/82/42/175268242.db2.gz ZPCKFKYWLQCLJV-WFASDCNBSA-N 1 0 233.355 3.364 50 0 BGAARO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000000293171 175268108 /nfs/dbraw/zinc/26/81/08/175268108.db2.gz ZPCKFKYWLQCLJV-DOMZBBRYSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH+]1CCCCCC1 ZINC000000293640 175325750 /nfs/dbraw/zinc/32/57/50/175325750.db2.gz MTDXNNRXFNSGLS-UHFFFAOYSA-N 1 0 219.328 3.071 50 0 BGAARO COc1ccccc1C[NH2+]Cc1ccc(C)cc1 ZINC000000294254 175329780 /nfs/dbraw/zinc/32/97/80/175329780.db2.gz OQJJHOINEPRSJL-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO CCSc1ccc2ccccc2[n+]1CC ZINC000000294858 170656015 /nfs/dbraw/zinc/65/60/15/170656015.db2.gz PLOBQIIHIKNEFP-UHFFFAOYSA-N 1 0 218.345 3.259 50 0 BGAARO CCSc1ccc2cc(OC)ccc2[n+]1CC ZINC000000294869 342682618 /nfs/dbraw/zinc/68/26/18/342682618.db2.gz DIIBQYOVQQKCGL-UHFFFAOYSA-N 1 0 248.371 3.268 50 0 BGAARO CC1=[N+](C)c2c(ccc3cccnc23)C1(C)C ZINC000000294915 168138337 /nfs/dbraw/zinc/13/83/37/168138337.db2.gz NMJNTLKXCOMILO-UHFFFAOYSA-N 1 0 225.315 3.261 50 0 BGAARO Cc1sc2ccc3ccccc3c2[n+]1C ZINC000000294936 342682617 /nfs/dbraw/zinc/68/26/17/342682617.db2.gz MQFVWWGIAINZAB-UHFFFAOYSA-N 1 0 214.313 3.187 50 0 BGAARO CC[n+]1c(C)sc2c1ccc1c2CCCC1 ZINC000000294939 188099464 /nfs/dbraw/zinc/09/94/64/188099464.db2.gz XNOCVKPCMHOZGW-UHFFFAOYSA-N 1 0 232.372 3.396 50 0 BGAARO C[C@H]1CC2(CCCC2)[N+](=O)Cc2ccccc21 ZINC000000295257 177068082 /nfs/dbraw/zinc/06/80/82/177068082.db2.gz XDNIMNHESODDHP-LBPRGKRZSA-N 1 0 229.323 3.436 50 0 BGAARO C[C@@H]1CC2(CCCC2)[N+](=O)Cc2ccccc21 ZINC000000295259 176057590 /nfs/dbraw/zinc/05/75/90/176057590.db2.gz XDNIMNHESODDHP-GFCCVEGCSA-N 1 0 229.323 3.436 50 0 BGAARO CCCC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000295480 188158557 /nfs/dbraw/zinc/15/85/57/188158557.db2.gz AITVAFLFWVCWGS-UHFFFAOYSA-N 1 0 245.366 3.268 50 0 BGAARO Fc1ccc(C[n+]2csc3ccccc32)cc1 ZINC000000300427 342682643 /nfs/dbraw/zinc/68/26/43/342682643.db2.gz WQMIMIXOBZOMJP-UHFFFAOYSA-N 1 0 244.314 3.376 50 0 BGAARO Fc1cccc(C[n+]2csc3ccccc32)c1 ZINC000000300677 342682491 /nfs/dbraw/zinc/68/24/91/342682491.db2.gz KZRHRUHUJPZRPV-UHFFFAOYSA-N 1 0 244.314 3.376 50 0 BGAARO Cc1ccc([C@@H](CC[NH3+])c2ccco2)cc1 ZINC000000314673 383853465 /nfs/dbraw/zinc/85/34/65/383853465.db2.gz PNKALXSRPWFOJZ-CYBMUJFWSA-N 1 0 215.296 3.069 50 0 BGAARO Cc1ccc([C@H](CC[NH3+])c2ccco2)cc1 ZINC000000314674 342683088 /nfs/dbraw/zinc/68/30/88/342683088.db2.gz PNKALXSRPWFOJZ-ZDUSSCGKSA-N 1 0 215.296 3.069 50 0 BGAARO Fc1ccccc1C[NH2+]Cc1ccccc1 ZINC000000322402 181012515 /nfs/dbraw/zinc/01/25/15/181012515.db2.gz PHIOLPRORSUAGJ-UHFFFAOYSA-N 1 0 215.271 3.116 50 0 BGAARO c1cc(N2CCCCC2)cc(N2CCCCC2)[nH+]1 ZINC000000331466 132313465 /nfs/dbraw/zinc/31/34/65/132313465.db2.gz JRAIJZWHLYPHKH-UHFFFAOYSA-N 1 0 245.370 3.062 50 0 BGAARO c1cc(N2CCCCC2)[nH+]c(N2CCCCC2)c1 ZINC000000331468 132313471 /nfs/dbraw/zinc/31/34/71/132313471.db2.gz YUZOFHAVKNEMIR-UHFFFAOYSA-N 1 0 245.370 3.062 50 0 BGAARO C=C(c1ccc(Cl)cc1)[n+]1ccccc1 ZINC000000337494 342683795 /nfs/dbraw/zinc/68/37/95/342683795.db2.gz VMKFKGRERJICBD-UHFFFAOYSA-N 1 0 216.691 3.147 50 0 BGAARO C=C(c1ccccc1Cl)[n+]1ccccc1 ZINC000000337495 342683773 /nfs/dbraw/zinc/68/37/73/342683773.db2.gz XHBUMLYBSZKDHQ-UHFFFAOYSA-N 1 0 216.691 3.147 50 0 BGAARO [NH3+]Cc1sc2ccccc2c1Br ZINC000000339135 342684049 /nfs/dbraw/zinc/68/40/49/342684049.db2.gz BSJBWSGRKZKIJB-UHFFFAOYSA-N 1 0 242.141 3.123 50 0 BGAARO S=c1oc2ccccc2n1C[NH+]1CCCC1 ZINC000000339922 183315616 /nfs/dbraw/zinc/31/56/16/183315616.db2.gz WSFDPIZSNBFPNS-UHFFFAOYSA-N 1 0 234.324 3.017 50 0 BGAARO c1ccc2c(c1)CC1(CCCC1)[N+]1=C2SCC1 ZINC000000340302 187925123 /nfs/dbraw/zinc/92/51/23/187925123.db2.gz KQYBLCNWVMHSOJ-UHFFFAOYSA-N 1 0 244.383 3.061 50 0 BGAARO C[n+]1cnc(-c2ccccc2)cc1-c1ccccc1 ZINC000000343392 342684222 /nfs/dbraw/zinc/68/42/22/342684222.db2.gz AECFSBAHQBFCIL-UHFFFAOYSA-N 1 0 247.321 3.240 50 0 BGAARO [NH3+]Cc1c(Br)sc2ccccc21 ZINC000000345317 383856257 /nfs/dbraw/zinc/85/62/57/383856257.db2.gz HNQIKEYMDRVXMP-UHFFFAOYSA-N 1 0 242.141 3.123 50 0 BGAARO NC(=[NH2+])Cc1ccccc1Sc1ccccc1 ZINC000000346218 181188376 /nfs/dbraw/zinc/18/83/76/181188376.db2.gz SGQCJSZSARRCBZ-UHFFFAOYSA-N 1 0 242.347 3.316 50 0 BGAARO [NH3+]CCc1ccccc1Sc1ccccc1 ZINC000000346308 398333553 /nfs/dbraw/zinc/33/35/53/398333553.db2.gz RKPKKEVCQTWRHC-UHFFFAOYSA-N 1 0 229.348 3.339 50 0 BGAARO [NH3+]Cc1ccccc1Sc1ccc(O)cc1 ZINC000000346466 346414237 /nfs/dbraw/zinc/41/42/37/346414237.db2.gz BBKORXIIJMKPQR-UHFFFAOYSA-N 1 0 231.320 3.002 50 0 BGAARO C[NH+](C)Cc1ccccc1OCc1ccccc1 ZINC000000346566 346414589 /nfs/dbraw/zinc/41/45/89/346414589.db2.gz KHBLXLGEEBQQGP-UHFFFAOYSA-N 1 0 241.334 3.327 50 0 BGAARO CC(C)CN=C1Nc2cccc3cccc1c23 ZINC000000346688 167002503 /nfs/dbraw/zinc/00/25/03/167002503.db2.gz IMGHWABIBDILMK-UHFFFAOYSA-N 1 0 224.307 3.477 50 0 BGAARO [NH3+]C[C@H]1c2ccccc2CSc2ccccc21 ZINC000000347374 181469609 /nfs/dbraw/zinc/46/96/09/181469609.db2.gz GELYKEDAAWAPIC-AWEZNQCLSA-N 1 0 241.359 3.383 50 0 aggregator BGAARO [NH3+]C[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000347375 181440454 /nfs/dbraw/zinc/44/04/54/181440454.db2.gz GELYKEDAAWAPIC-CQSZACIVSA-N 1 0 241.359 3.383 50 0 aggregator BGAARO C[NH2+]Cc1ccccc1Sc1ccc(O)cc1 ZINC000000347482 173390624 /nfs/dbraw/zinc/39/06/24/173390624.db2.gz IZBGXNZDNFDJTP-UHFFFAOYSA-N 1 0 245.347 3.263 50 0 BGAARO CC(C)[NH2+]C[C@H](O)c1ccc(C2CCCC2)cc1 ZINC000000347581 167115732 /nfs/dbraw/zinc/11/57/32/167115732.db2.gz AZUPXLMDEBQPMR-INIZCTEOSA-N 1 0 247.382 3.376 50 0 BGAARO CC(C)[NH2+]C[C@@H](O)c1ccc(C2CCCC2)cc1 ZINC000000347582 167111119 /nfs/dbraw/zinc/11/11/19/167111119.db2.gz AZUPXLMDEBQPMR-MRXNPFEDSA-N 1 0 247.382 3.376 50 0 BGAARO CC[n+]1c(C)sc2cc(C)c(C)cc21 ZINC000000347773 344715773 /nfs/dbraw/zinc/71/57/73/344715773.db2.gz BBYLYDYICMROJQ-UHFFFAOYSA-N 1 0 206.334 3.134 50 0 BGAARO Clc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000000359891 342684912 /nfs/dbraw/zinc/68/49/12/342684912.db2.gz XIXHUNCZQIRQOG-UHFFFAOYSA-N 1 0 209.720 3.372 50 0 BGAARO CCOc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000000360084 342684845 /nfs/dbraw/zinc/68/48/45/342684845.db2.gz MYYVAIHWPYPDSV-UHFFFAOYSA-N 1 0 247.363 3.437 50 0 BGAARO CCOc1ccccc1C[NH2+]Cc1cccs1 ZINC000000360086 342684872 /nfs/dbraw/zinc/68/48/72/342684872.db2.gz FTZLECALGLYPFB-UHFFFAOYSA-N 1 0 247.363 3.437 50 0 BGAARO Fc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000000360135 342684944 /nfs/dbraw/zinc/68/49/44/342684944.db2.gz OXUMCYRKOFXTRG-UHFFFAOYSA-N 1 0 221.300 3.177 50 0 BGAARO Fc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000000360319 342684963 /nfs/dbraw/zinc/68/49/63/342684963.db2.gz YKFNPVWWPPJNAQ-UHFFFAOYSA-N 1 0 233.261 3.255 50 0 BGAARO Clc1cccc(C[NH2+]C2CC2)c1Cl ZINC000000360571 342684926 /nfs/dbraw/zinc/68/49/26/342684926.db2.gz KJYVKUQRRKDPAX-UHFFFAOYSA-N 1 0 216.111 3.245 50 0 BGAARO CCCn1c2c(c(=[NH2+])c3ccccc31)CCC2 ZINC000000362070 350330859 /nfs/dbraw/zinc/33/08/59/350330859.db2.gz QVNRITZHEBJTBS-UHFFFAOYSA-N 1 0 226.323 3.019 50 0 BGAARO COc1ccc(Cl)cc1C[NH+]1CCCCC1 ZINC000000365707 175120213 /nfs/dbraw/zinc/12/02/13/175120213.db2.gz YRGHGXTVFQVLJV-UHFFFAOYSA-N 1 0 239.746 3.335 50 0 BGAARO C[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000000377021 383858751 /nfs/dbraw/zinc/85/87/51/383858751.db2.gz MVUROKMDHJEIHM-NSHDSACASA-N 1 0 201.269 3.130 50 0 BGAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000000377023 342685411 /nfs/dbraw/zinc/68/54/11/342685411.db2.gz MVUROKMDHJEIHM-LLVKDONJSA-N 1 0 201.269 3.130 50 0 BGAARO CC1c2ccccc2[C@@H](C)CC(C)(C)[N+]1=O ZINC000000377049 168138519 /nfs/dbraw/zinc/13/85/19/168138519.db2.gz YSCYVRIPLIXAAW-JTQLQIEISA-N 1 0 217.312 3.292 50 0 BGAARO CC1c2ccccc2[C@H](C)CC(C)(C)[N+]1=O ZINC000000377050 168139333 /nfs/dbraw/zinc/13/93/33/168139333.db2.gz YSCYVRIPLIXAAW-SNVBAGLBSA-N 1 0 217.312 3.292 50 0 BGAARO CCc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000000378562 383862064 /nfs/dbraw/zinc/86/20/64/383862064.db2.gz ODEDMPIBSAQQJN-UHFFFAOYSA-N 1 0 215.296 3.132 50 0 BGAARO C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3n(C)c21 ZINC000000379033 384155610 /nfs/dbraw/zinc/15/56/10/384155610.db2.gz LVFYFGCLDWDTGS-LBPRGKRZSA-N 1 0 248.757 3.429 50 0 BGAARO C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3n(C)c21 ZINC000000379037 384155812 /nfs/dbraw/zinc/15/58/12/384155812.db2.gz LVFYFGCLDWDTGS-GFCCVEGCSA-N 1 0 248.757 3.429 50 0 BGAARO COc1cc2sc(C)[n+](C)c2c2ccccc12 ZINC000000381256 175028782 /nfs/dbraw/zinc/02/87/82/175028782.db2.gz BEYRIHLCTPBSGV-UHFFFAOYSA-N 1 0 244.339 3.196 50 0 BGAARO C[C@H]1CC(Nc2ccccc2)=[NH+]C1(C)C ZINC000000386618 177066172 /nfs/dbraw/zinc/06/61/72/177066172.db2.gz AAXNTHVRFBBWFP-JTQLQIEISA-N 1 0 202.301 3.315 50 0 BGAARO C[C@@H]1CC(Nc2ccccc2)=[NH+]C1(C)C ZINC000000386619 176055407 /nfs/dbraw/zinc/05/54/07/176055407.db2.gz AAXNTHVRFBBWFP-SNVBAGLBSA-N 1 0 202.301 3.315 50 0 BGAARO c1csc(C[n+]2ccc3ccccc3c2)c1 ZINC000000387011 183520171 /nfs/dbraw/zinc/52/01/71/183520171.db2.gz FASUPAFUSXCWJZ-UHFFFAOYSA-N 1 0 226.324 3.237 50 0 BGAARO CC[NH+](CC)P1OCc2ccccc2CO1 ZINC000000388525 342685949 /nfs/dbraw/zinc/68/59/49/342685949.db2.gz JDAKPBBWYIWXJF-UHFFFAOYSA-N 1 0 239.255 3.302 50 0 BGAARO Cc1cc2sc3ccccc3[n+]2c(C)c1 ZINC000000390797 383862272 /nfs/dbraw/zinc/86/22/72/383862272.db2.gz CBFSTJAXKAVDBP-UHFFFAOYSA-N 1 0 214.313 3.257 50 0 BGAARO CCN(CC)[PH+](N(CC)CC)N(CC)CC ZINC000000391998 342686095 /nfs/dbraw/zinc/68/60/95/342686095.db2.gz FDIOSTIIZGWENY-UHFFFAOYSA-N 1 0 247.367 3.239 50 0 BGAARO Cc1sc2ccccc2[n+]1C(C)(C)C ZINC000000392978 342686107 /nfs/dbraw/zinc/68/61/07/342686107.db2.gz YLASAYZIJRAMFG-UHFFFAOYSA-N 1 0 206.334 3.252 50 0 BGAARO CC[NH+](CC)CCSc1ccc(C)cc1 ZINC000000393124 363293199 /nfs/dbraw/zinc/29/31/99/363293199.db2.gz BVLWBBFZDFCUGR-UHFFFAOYSA-N 1 0 223.385 3.429 50 0 BGAARO CC1(C)CC(O)CC(C)(C)[NH+]1Cc1ccccc1 ZINC000000393329 383861415 /nfs/dbraw/zinc/86/14/15/383861415.db2.gz VLTHAKKFNPUWSB-UHFFFAOYSA-N 1 0 247.382 3.201 50 0 BGAARO Cc1cc2ncn(C[NH+]3CCCCC3)c2cc1C ZINC000000393886 178305885 /nfs/dbraw/zinc/30/58/85/178305885.db2.gz NXLGPFLTEYJESK-UHFFFAOYSA-N 1 0 243.354 3.097 50 0 BGAARO CC[NH+](CC)CCNc1c(C)cccc1Cl ZINC000000394125 342685993 /nfs/dbraw/zinc/68/59/93/342685993.db2.gz SXUAELKXXOQWCO-UHFFFAOYSA-N 1 0 240.778 3.402 50 0 BGAARO C[N@H+](CCOc1ccccc1)Cc1ccccc1 ZINC000000394142 342685984 /nfs/dbraw/zinc/68/59/84/342685984.db2.gz PDZWHGWSMGQZTD-UHFFFAOYSA-N 1 0 241.334 3.197 50 0 BGAARO CC[NH2+][C@@H](Cc1ccccc1)c1ccco1 ZINC000000394296 170146793 /nfs/dbraw/zinc/14/67/93/170146793.db2.gz JJZNSQAREZKLGY-ZDUSSCGKSA-N 1 0 215.296 3.173 50 0 BGAARO CC[NH2+][C@H](Cc1ccccc1)c1ccco1 ZINC000000394297 170162215 /nfs/dbraw/zinc/16/22/15/170162215.db2.gz JJZNSQAREZKLGY-CYBMUJFWSA-N 1 0 215.296 3.173 50 0 BGAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC1 ZINC000000395182 175770649 /nfs/dbraw/zinc/77/06/49/175770649.db2.gz IFPHKNRVEGIFBA-JTQLQIEISA-N 1 0 223.747 3.271 50 0 BGAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC1 ZINC000000395183 176721818 /nfs/dbraw/zinc/72/18/18/176721818.db2.gz IFPHKNRVEGIFBA-SNVBAGLBSA-N 1 0 223.747 3.271 50 0 BGAARO CC[n+]1ccc(/C=C/c2ccccc2OC)cc1 ZINC000000396335 383864521 /nfs/dbraw/zinc/86/45/21/383864521.db2.gz KNGPTYFGEWQIBW-CMDGGOBGSA-N 1 0 240.326 3.173 50 0 BGAARO CC[n+]1ccc(/C=C/c2cccs2)cc1 ZINC000000396336 188335046 /nfs/dbraw/zinc/33/50/46/188335046.db2.gz PFYVQNPIHVLHEC-AATRIKPKSA-N 1 0 216.329 3.226 50 0 BGAARO NC(=[NH2+])SC(c1ccccc1)c1ccccc1 ZINC000000400011 181190634 /nfs/dbraw/zinc/19/06/34/181190634.db2.gz FBPZCNQOMKJFRD-UHFFFAOYSA-N 1 0 242.347 3.403 50 0 in-vitro BGAARO S=c1oc2ccccc2n1C[NH+]1CCCCC1 ZINC000000402538 183315676 /nfs/dbraw/zinc/31/56/76/183315676.db2.gz RGXKSWQEHRALRO-UHFFFAOYSA-N 1 0 248.351 3.407 50 0 BGAARO Cc1c2[nH]cc(C[C@@H](C)[NH3+])c2c(C)c(C)c1C ZINC000000403697 177575866 /nfs/dbraw/zinc/57/58/66/177575866.db2.gz XGOZEJVHAMVJOA-MRVPVSSYSA-N 1 0 230.355 3.291 50 0 BGAARO Cc1c2[nH]cc(C[C@H](C)[NH3+])c2c(C)c(C)c1C ZINC000000403698 342686715 /nfs/dbraw/zinc/68/67/15/342686715.db2.gz XGOZEJVHAMVJOA-QMMMGPOBSA-N 1 0 230.355 3.291 50 0 BGAARO CC(C)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000000405262 167115027 /nfs/dbraw/zinc/11/50/27/167115027.db2.gz VKMGSWIFEHZQRS-NSHDSACASA-N 1 0 248.153 3.025 50 0 in-vivo BGAARO CC(C)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000000405263 167111096 /nfs/dbraw/zinc/11/10/96/167111096.db2.gz VKMGSWIFEHZQRS-LLVKDONJSA-N 1 0 248.153 3.025 50 0 in-vivo BGAARO Cc1sc2ccccc2[n+]1CC(C)C ZINC000000407621 342687070 /nfs/dbraw/zinc/68/70/70/342687070.db2.gz DEIVBCAOPKPIFX-UHFFFAOYSA-N 1 0 206.334 3.153 50 0 BGAARO Cc1[nH+]c2ccccn2c1NC1CCCCC1 ZINC000000417863 180106678 /nfs/dbraw/zinc/10/66/78/180106678.db2.gz UUOFQSYGSJLFSC-UHFFFAOYSA-N 1 0 229.327 3.387 50 0 BGAARO Cc1ccc(C)c(OCC[NH+]2CCCCC2)c1 ZINC000000431804 178488112 /nfs/dbraw/zinc/48/81/12/178488112.db2.gz AQZRIZDFRNDEKK-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C(C)C)CC3 ZINC000000486018 346748696 /nfs/dbraw/zinc/74/86/96/346748696.db2.gz PDKSJTGTYOTJJK-UHFFFAOYSA-N 1 0 228.339 3.243 50 0 BGAARO CC[NH+](CC)CCc1c[nH]c2ccc(OC)cc12 ZINC000000488389 169784277 /nfs/dbraw/zinc/78/42/77/169784277.db2.gz KGDVJQQWCDDEPP-UHFFFAOYSA-N 1 0 246.354 3.061 50 0 in-vitro BGAARO Cc1ccc(C(=O)CC[NH+]2CCCCCC2)cc1 ZINC000000501030 188273716 /nfs/dbraw/zinc/27/37/16/188273716.db2.gz NSWKJWZPLZMVEX-UHFFFAOYSA-N 1 0 245.366 3.444 50 0 BGAARO Cn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000000506217 180629213 /nfs/dbraw/zinc/62/92/13/180629213.db2.gz DXLAIHWOPBQYIT-UHFFFAOYSA-N 1 0 249.337 3.173 50 0 BGAARO C[NH+](C)CC[C@H](c1ccccc1)c1ccccn1 ZINC000000508068 172476956 /nfs/dbraw/zinc/47/69/56/172476956.db2.gz IJHNSHDBIRRJRN-OAHLLOKOSA-N 1 0 240.350 3.165 50 0 fda BGAARO CC[C@@H](C[NH+](CC)CC)[C@H](O)c1ccccc1 ZINC000000509739 385299192 /nfs/dbraw/zinc/29/91/92/385299192.db2.gz XRGPZLXXKGVDHA-ZFWWWQNUSA-N 1 0 235.371 3.088 50 0 BGAARO CC[C@H](C[NH+](CC)CC)[C@H](O)c1ccccc1 ZINC000000509740 171430041 /nfs/dbraw/zinc/43/00/41/171430041.db2.gz XRGPZLXXKGVDHA-HIFRSBDPSA-N 1 0 235.371 3.088 50 0 BGAARO CC[C@@H](C[NH+](CC)CC)[C@@H](O)c1ccccc1 ZINC000000509741 385299852 /nfs/dbraw/zinc/29/98/52/385299852.db2.gz XRGPZLXXKGVDHA-DZGCQCFKSA-N 1 0 235.371 3.088 50 0 BGAARO CC[C@H](C[NH+](CC)CC)[C@@H](O)c1ccccc1 ZINC000000509742 385298467 /nfs/dbraw/zinc/29/84/67/385298467.db2.gz XRGPZLXXKGVDHA-UKRRQHHQSA-N 1 0 235.371 3.088 50 0 BGAARO Cn1c2ccccc2nc1Nc1ccccc1 ZINC000000513000 385351883 /nfs/dbraw/zinc/35/18/83/385351883.db2.gz BASOYPSBRDWRDY-UHFFFAOYSA-N 1 0 223.279 3.317 50 0 BGAARO CCn1c2ccccc2nc1NCc1ccco1 ZINC000000513479 172146469 /nfs/dbraw/zinc/14/64/69/172146469.db2.gz XVKUMXLSEKBYCF-UHFFFAOYSA-N 1 0 241.294 3.261 50 0 BGAARO CC1c2ccccc2C(C)(C)CC(C)(C)[N+]1=O ZINC000000545569 168138948 /nfs/dbraw/zinc/13/89/48/168138948.db2.gz LNOLLIWZSUNSPN-UHFFFAOYSA-N 1 0 231.339 3.466 50 0 BGAARO CC[n+]1c(C)sc2c(C)c(C)sc21 ZINC000000547449 187925283 /nfs/dbraw/zinc/92/52/83/187925283.db2.gz MSKYONQDDILTOO-UHFFFAOYSA-N 1 0 212.363 3.195 50 0 BGAARO c1csc(C[NH2+]Cc2ccccc2)c1 ZINC000000570898 383875125 /nfs/dbraw/zinc/87/51/25/383875125.db2.gz GEWKIDGKZRKUFB-UHFFFAOYSA-N 1 0 203.310 3.038 50 0 BGAARO Fc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000000571243 180967683 /nfs/dbraw/zinc/96/76/83/180967683.db2.gz IXXUEFBZPLQYAJ-UHFFFAOYSA-N 1 0 207.292 3.248 50 0 BGAARO COc1ccccc1C[NH2+]C1CCCCC1 ZINC000000571249 175329363 /nfs/dbraw/zinc/32/93/63/175329363.db2.gz UTJDSLDBTMBTJA-UHFFFAOYSA-N 1 0 219.328 3.118 50 0 BGAARO Cn1c2ccccc2nc1CC(C)(C)C ZINC000000572581 385568469 /nfs/dbraw/zinc/56/84/69/385568469.db2.gz HFNCCEONYWKVRV-UHFFFAOYSA-N 1 0 202.301 3.162 50 0 BGAARO CCC(CC)c1nc2ccccc2n1C ZINC000000572592 385568781 /nfs/dbraw/zinc/56/87/81/385568781.db2.gz RIPDNGCQXKPMDZ-UHFFFAOYSA-N 1 0 202.301 3.477 50 0 BGAARO c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CCCO1 ZINC000000576458 383877516 /nfs/dbraw/zinc/87/75/16/383877516.db2.gz CLVXIFKQNMXQFQ-OAHLLOKOSA-N 1 0 241.334 3.108 50 0 BGAARO c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CCCO1 ZINC000000576459 183437447 /nfs/dbraw/zinc/43/74/47/183437447.db2.gz CLVXIFKQNMXQFQ-HNNXBMFYSA-N 1 0 241.334 3.108 50 0 BGAARO COc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000580409 175156707 /nfs/dbraw/zinc/15/67/07/175156707.db2.gz HZAZEFOPMLDKIC-UHFFFAOYSA-N 1 0 239.278 3.315 50 0 BGAARO CC(C)[NH+](Cc1nc2ccccc2[nH]1)C(C)C ZINC000000615957 383877269 /nfs/dbraw/zinc/87/72/69/383877269.db2.gz GQIKGPQNTHPGIN-UHFFFAOYSA-N 1 0 231.343 3.182 50 0 aggregator BGAARO CC(C)(C)C(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000753498 166522310 /nfs/dbraw/zinc/52/23/10/166522310.db2.gz XJDQLQIOGQXLGH-UHFFFAOYSA-N 1 0 249.398 3.016 50 0 BGAARO CCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000000756979 169176670 /nfs/dbraw/zinc/17/66/70/169176670.db2.gz BBHFFLFJCYXAEP-UHFFFAOYSA-N 1 0 219.328 3.014 50 0 BGAARO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000000756996 177123341 /nfs/dbraw/zinc/12/33/41/177123341.db2.gz CWGJTPQDJXRMRM-WCQYABFASA-N 1 0 247.338 3.084 50 0 BGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000000756997 176123381 /nfs/dbraw/zinc/12/33/81/176123381.db2.gz CWGJTPQDJXRMRM-DGCLKSJQSA-N 1 0 247.338 3.084 50 0 BGAARO C[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000000756998 177137182 /nfs/dbraw/zinc/13/71/82/177137182.db2.gz CWGJTPQDJXRMRM-AAEUAGOBSA-N 1 0 247.338 3.084 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000000756999 176143939 /nfs/dbraw/zinc/14/39/39/176143939.db2.gz CWGJTPQDJXRMRM-YPMHNXCESA-N 1 0 247.338 3.084 50 0 BGAARO COc1ccc(NC[C@H]2CC=CCC2)cc1OC ZINC000000757076 175151472 /nfs/dbraw/zinc/15/14/72/175151472.db2.gz NYZQJRZNONTFOW-LBPRGKRZSA-N 1 0 247.338 3.472 50 0 BGAARO C[N@H+](CCc1ccccn1)CC1CCCCC1 ZINC000000757271 343269861 /nfs/dbraw/zinc/26/98/61/343269861.db2.gz RXBARMGQLQWNCX-UHFFFAOYSA-N 1 0 232.371 3.136 50 0 BGAARO C[C@@H](CC[N@@H+]1CCCC[C@H]1CO)c1ccccc1 ZINC000000757291 349326808 /nfs/dbraw/zinc/32/68/08/349326808.db2.gz BGANQIAXOIFQLM-HOCLYGCPSA-N 1 0 247.382 3.027 50 0 BGAARO CC(C)(C)C1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000000757543 343769586 /nfs/dbraw/zinc/76/95/86/343769586.db2.gz ZBTCHNNANVSKLS-JXQTWKCFSA-N 1 0 239.403 3.048 50 0 BGAARO CC(C)(C)C1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000000757545 343769624 /nfs/dbraw/zinc/76/96/24/343769624.db2.gz ZBTCHNNANVSKLS-RUXDESIVSA-N 1 0 239.403 3.048 50 0 BGAARO CC(C)(C)C1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000000757760 342692391 /nfs/dbraw/zinc/69/23/91/342692391.db2.gz QSFNMOWUAVJEOD-JXQTWKCFSA-N 1 0 239.403 3.360 50 0 BGAARO CC(C)(C)C1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000000757761 166544232 /nfs/dbraw/zinc/54/42/32/166544232.db2.gz QSFNMOWUAVJEOD-RUXDESIVSA-N 1 0 239.403 3.360 50 0 BGAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccnc1 ZINC000000757772 342692286 /nfs/dbraw/zinc/69/22/86/342692286.db2.gz UHHMVVJDCBNHQP-AWEZNQCLSA-N 1 0 240.350 3.193 50 0 BGAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccnc1 ZINC000000757773 342692525 /nfs/dbraw/zinc/69/25/25/342692525.db2.gz UHHMVVJDCBNHQP-CQSZACIVSA-N 1 0 240.350 3.193 50 0 BGAARO CC[NH+]1CCC(Nc2ccc3c(c2)CCC3)CC1 ZINC000000758173 342692699 /nfs/dbraw/zinc/69/26/99/342692699.db2.gz RTUDPETXJUYFCW-UHFFFAOYSA-N 1 0 244.382 3.072 50 0 BGAARO Cc1ccc(C[NH+]2CCCCCCC2)o1 ZINC000000759120 587622437 /nfs/dbraw/zinc/62/24/37/587622437.db2.gz UBADXAKKDIFIHJ-UHFFFAOYSA-N 1 0 207.317 3.354 50 0 BGAARO CC[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC000000761390 342692822 /nfs/dbraw/zinc/69/28/22/342692822.db2.gz LLCVOCKWBRMDOI-UHFFFAOYSA-N 1 0 226.323 3.104 50 0 BGAARO Clc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000000784585 342692643 /nfs/dbraw/zinc/69/26/43/342692643.db2.gz PNZCPRKQXNUELZ-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO C/C(Cl)=C\C[NH2+][C@@H](C)c1ccccc1 ZINC000000794179 383881416 /nfs/dbraw/zinc/88/14/16/383881416.db2.gz KLLJRHWVXBUIJY-UQSGXBNBSA-N 1 0 209.720 3.480 50 0 BGAARO C/C(Cl)=C\C[NH2+][C@H](C)c1ccccc1 ZINC000000794181 383880857 /nfs/dbraw/zinc/88/08/57/383880857.db2.gz KLLJRHWVXBUIJY-RJCSOLBVSA-N 1 0 209.720 3.480 50 0 BGAARO COc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000000801782 175189717 /nfs/dbraw/zinc/18/97/17/175189717.db2.gz PXPAOLAQWTWCON-NSHDSACASA-N 1 0 231.295 3.139 50 0 BGAARO COc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000000801783 175176992 /nfs/dbraw/zinc/17/69/92/175176992.db2.gz PXPAOLAQWTWCON-LLVKDONJSA-N 1 0 231.295 3.139 50 0 BGAARO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)o2)cc1 ZINC000000801784 175189382 /nfs/dbraw/zinc/18/93/82/175189382.db2.gz OEFKVDKXGYPFEL-LBPRGKRZSA-N 1 0 245.322 3.447 50 0 BGAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)o2)cc1 ZINC000000801785 175176592 /nfs/dbraw/zinc/17/65/92/175176592.db2.gz OEFKVDKXGYPFEL-GFCCVEGCSA-N 1 0 245.322 3.447 50 0 BGAARO Cc1[nH+]c2cc(N)ccc2n1C1CCCCC1 ZINC000000808030 180081127 /nfs/dbraw/zinc/08/11/27/180081127.db2.gz HFWLAZNWFBCWRS-UHFFFAOYSA-N 1 0 229.327 3.432 50 0 BGAARO Clc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000000810246 342692937 /nfs/dbraw/zinc/69/29/37/342692937.db2.gz BKOHWMDFYTVGML-UHFFFAOYSA-N 1 0 221.687 3.223 50 0 BGAARO CSc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000000810247 342693039 /nfs/dbraw/zinc/69/30/39/342693039.db2.gz GVNAUQHIPWUMLP-UHFFFAOYSA-N 1 0 233.336 3.291 50 0 BGAARO Fc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000000812222 342693022 /nfs/dbraw/zinc/69/30/22/342693022.db2.gz GBBGHUWXQLFMIS-UHFFFAOYSA-N 1 0 233.261 3.255 50 0 BGAARO Cc1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000000816351 178819903 /nfs/dbraw/zinc/81/99/03/178819903.db2.gz ZNHILEFNCURVGP-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO Cc1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000000816357 179314309 /nfs/dbraw/zinc/31/43/09/179314309.db2.gz VWZASXKWMZFTRY-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000000819174 386155888 /nfs/dbraw/zinc/15/58/88/386155888.db2.gz XDFWSUATJFROCP-UHFFFAOYSA-N 1 0 229.298 3.458 50 0 BGAARO c1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000000967306 183411041 /nfs/dbraw/zinc/41/10/41/183411041.db2.gz SKWVBQXMMPBKGW-UHFFFAOYSA-N 1 0 220.295 3.176 50 0 BGAARO C[NH+](C)Cc1ccccc1Cc1ccccc1 ZINC000000968648 356360024 /nfs/dbraw/zinc/36/00/24/356360024.db2.gz PJCWHWYSDUBFFR-UHFFFAOYSA-N 1 0 225.335 3.339 50 0 BGAARO C[C@H](NC1=[NH+]CCCCC1)c1ccccc1 ZINC000000975743 385705150 /nfs/dbraw/zinc/70/51/50/385705150.db2.gz GIXPHAOUKLITDB-LBPRGKRZSA-N 1 0 216.328 3.310 50 0 BGAARO CCCc1cc2cccc[n+]2cc1CCC ZINC000001019601 169568639 /nfs/dbraw/zinc/56/86/39/169568639.db2.gz HDFCJTOYYQLBQS-UHFFFAOYSA-N 1 0 214.332 3.330 50 0 BGAARO C[NH+](C)C(c1ccccc1)c1ccccc1 ZINC000001038887 172396410 /nfs/dbraw/zinc/39/64/10/172396410.db2.gz AUOKSPBBOCQYIX-UHFFFAOYSA-N 1 0 211.308 3.338 50 0 BGAARO C[N+]1=C2CCCC[C@]2(C)c2ccccc21 ZINC000001044420 187242240 /nfs/dbraw/zinc/24/22/40/187242240.db2.gz YQCJUQRBCGCFDH-CQSZACIVSA-N 1 0 200.305 3.247 50 0 BGAARO C[N+]1=C2CCCC[C@@]2(C)c2ccccc21 ZINC000001044421 356019992 /nfs/dbraw/zinc/01/99/92/356019992.db2.gz YQCJUQRBCGCFDH-AWEZNQCLSA-N 1 0 200.305 3.247 50 0 BGAARO CC(C)[n+]1ccccc1CCc1ccccc1 ZINC000001225195 167547062 /nfs/dbraw/zinc/54/70/62/167547062.db2.gz REEGZLXDFFGRTE-UHFFFAOYSA-N 1 0 226.343 3.340 50 0 BGAARO C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001234761 383891598 /nfs/dbraw/zinc/89/15/98/383891598.db2.gz WYZDCUGWXKHESN-UHFFFAOYSA-N 1 0 211.308 3.319 50 0 in-man BGAARO Cc1[nH]c2cc(Cl)cc(Cl)c2c1CC[NH3+] ZINC000001235017 342698404 /nfs/dbraw/zinc/69/84/04/342698404.db2.gz JCTJISIFGZHOFY-UHFFFAOYSA-N 1 0 243.137 3.284 50 0 in-vitro BGAARO CC[C@@H](C)c1ccc2[nH]c(C)c(CC[NH3+])c2c1 ZINC000001235030 383891019 /nfs/dbraw/zinc/89/10/19/383891019.db2.gz VLOQYQXITQGPDY-SNVBAGLBSA-N 1 0 230.355 3.491 50 0 BGAARO CC[C@H](C)c1ccc2[nH]c(C)c(CC[NH3+])c2c1 ZINC000001235031 383890926 /nfs/dbraw/zinc/89/09/26/383890926.db2.gz VLOQYQXITQGPDY-JTQLQIEISA-N 1 0 230.355 3.491 50 0 BGAARO C[NH+](C)CC(c1ccccc1)c1ccccc1 ZINC000001249433 172423068 /nfs/dbraw/zinc/42/30/68/172423068.db2.gz UAUJDKBNVRSJBD-UHFFFAOYSA-N 1 0 225.335 3.380 50 0 in-vivo BGAARO CC1=[N+](C(C)C)c2ccccc2C1(C)C ZINC000001251862 168138148 /nfs/dbraw/zinc/13/81/48/168138148.db2.gz ULHGIBWTCMQGRH-UHFFFAOYSA-N 1 0 202.321 3.491 50 0 BGAARO c1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000001279182 386222901 /nfs/dbraw/zinc/22/29/01/386222901.db2.gz FGTWRFGVFTTZOI-UHFFFAOYSA-N 1 0 209.292 3.202 50 0 BGAARO [NH3+]C[C@H](c1ccccc1)C1CCCCC1 ZINC000001304651 383893070 /nfs/dbraw/zinc/89/30/70/383893070.db2.gz RDHLDAJFFHIZAT-CQSZACIVSA-N 1 0 203.329 3.309 50 0 BGAARO [NH3+]C[C@@H](c1ccccc1)C1CCCCC1 ZINC000001304652 383894514 /nfs/dbraw/zinc/89/45/14/383894514.db2.gz RDHLDAJFFHIZAT-AWEZNQCLSA-N 1 0 203.329 3.309 50 0 BGAARO C[C@@H]1[NH2+]CC2(CCCC2)c2ccccc21 ZINC000001321341 386449549 /nfs/dbraw/zinc/44/95/49/386449549.db2.gz DIMIJKAJGUVQSO-NSHDSACASA-N 1 0 201.313 3.163 50 0 BGAARO C[C@H]1[NH2+]CC2(CCCC2)c2ccccc21 ZINC000001321342 353138867 /nfs/dbraw/zinc/13/88/67/353138867.db2.gz DIMIJKAJGUVQSO-LLVKDONJSA-N 1 0 201.313 3.163 50 0 BGAARO CC1(C)CC(C)(C)c2ccccc2C[NH2+]1 ZINC000001322613 167886153 /nfs/dbraw/zinc/88/61/53/167886153.db2.gz REIQGKWQWULFIW-UHFFFAOYSA-N 1 0 203.329 3.236 50 0 BGAARO C[NH+](C)C[C@H](Oc1ccccc1)c1ccccc1 ZINC000001455880 386233760 /nfs/dbraw/zinc/23/37/60/386233760.db2.gz LXDNEYZYEWIFMH-INIZCTEOSA-N 1 0 241.334 3.368 50 0 BGAARO C[NH+](C)C[C@@H](Oc1ccccc1)c1ccccc1 ZINC000001455881 386233588 /nfs/dbraw/zinc/23/35/88/386233588.db2.gz LXDNEYZYEWIFMH-MRXNPFEDSA-N 1 0 241.334 3.368 50 0 BGAARO C[C@@]([NH3+])(Cc1ccccc1)c1ccccc1 ZINC000001493171 342701811 /nfs/dbraw/zinc/70/18/11/342701811.db2.gz JINQHBRSXWQJAZ-OAHLLOKOSA-N 1 0 211.308 3.103 50 0 BGAARO CCC[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000001532968 169278233 /nfs/dbraw/zinc/27/82/33/169278233.db2.gz PBENSVGEGPJNFJ-AWEZNQCLSA-N 1 0 205.345 3.397 50 0 BGAARO [NH3+]CCN1c2ccccc2Sc2ccccc21 ZINC000001557018 132314148 /nfs/dbraw/zinc/31/41/48/132314148.db2.gz GEQNUMNORCDKBC-UHFFFAOYSA-N 1 0 242.347 3.248 50 0 BGAARO CC(C)[NH2+][C@@H](C)c1c[nH]c2ccccc21 ZINC000001575718 167132341 /nfs/dbraw/zinc/13/23/41/167132341.db2.gz XQWQVJRSFNDGOD-JTQLQIEISA-N 1 0 202.301 3.227 50 0 BGAARO c1ccc(CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000001593750 183393116 /nfs/dbraw/zinc/39/31/16/183393116.db2.gz OECRBORQHDSXLD-UHFFFAOYSA-N 1 0 237.346 3.287 50 0 BGAARO CCC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000001627165 169209113 /nfs/dbraw/zinc/20/91/13/169209113.db2.gz ZWANGODHJGISHB-NSHDSACASA-N 1 0 228.339 3.497 50 0 BGAARO c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000001634175 387199000 /nfs/dbraw/zinc/19/90/00/387199000.db2.gz PYVNEEKPCDOMIN-UHFFFAOYSA-N 1 0 223.319 3.245 50 0 BGAARO C[NH+](C)CCOC1(c2ccccc2)CCCCC1 ZINC000001641285 350579973 /nfs/dbraw/zinc/57/99/73/350579973.db2.gz YEKRATOGFMBDHG-UHFFFAOYSA-N 1 0 247.382 3.424 50 0 BGAARO c1ccc(CC[NH2+]CCc2ccccc2)cc1 ZINC000001641337 183393988 /nfs/dbraw/zinc/39/39/88/183393988.db2.gz ACSAKRLPJQIBFB-UHFFFAOYSA-N 1 0 225.335 3.061 50 0 BGAARO Nc1c2ccccc2[nH+]c2c1CCCCCC2 ZINC000001660914 342707357 /nfs/dbraw/zinc/70/73/57/342707357.db2.gz MOYCAFZXXXJGSU-UHFFFAOYSA-N 1 0 226.323 3.476 50 0 BGAARO C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000001662425 172410886 /nfs/dbraw/zinc/41/08/86/172410886.db2.gz YGSBKTJPXNJTKL-UHFFFAOYSA-N 1 0 209.292 3.318 50 0 BGAARO C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001667164 173425917 /nfs/dbraw/zinc/42/59/17/173425917.db2.gz GNMNPHPUCWQGJK-HNNXBMFYSA-N 1 0 211.308 3.190 50 0 BGAARO C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001667181 383917473 /nfs/dbraw/zinc/91/74/73/383917473.db2.gz OSBRASOCYMAZJL-INIZCTEOSA-N 1 0 241.334 3.198 50 0 BGAARO c1sc2ccccc2[n+]1CCc1ccccc1 ZINC000001668274 183395365 /nfs/dbraw/zinc/39/53/65/183395365.db2.gz ASSICHLHCHEXOD-UHFFFAOYSA-N 1 0 240.351 3.432 50 0 BGAARO Cc1ccc(C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000001668276 178647932 /nfs/dbraw/zinc/64/79/32/178647932.db2.gz ZICDZTXDTPZBKH-OAHLLOKOSA-N 1 0 211.308 3.238 50 0 BGAARO c1ccc(CC[n+]2ccc3ccccc3c2)cc1 ZINC000001668292 183395378 /nfs/dbraw/zinc/39/53/78/183395378.db2.gz DMZARGLVDWKKQW-UHFFFAOYSA-N 1 0 234.322 3.370 50 0 BGAARO [NH3+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000001668616 383918602 /nfs/dbraw/zinc/91/86/02/383918602.db2.gz UWARBRXWIXCVNO-LBWKMTJJSA-N 1 0 235.330 3.242 50 0 BGAARO Clc1ccc(C[C@H]2CCCC[NH2+]2)cc1 ZINC000001675109 342708226 /nfs/dbraw/zinc/70/82/26/342708226.db2.gz NCBKTNYICUGIBB-GFCCVEGCSA-N 1 0 209.720 3.025 50 0 BGAARO CC[NH+](CC)CCNc1cccc(Cl)c1 ZINC000001683212 342709099 /nfs/dbraw/zinc/70/90/99/342709099.db2.gz ZZKMDVYMXCIPIF-UHFFFAOYSA-N 1 0 226.751 3.094 50 0 BGAARO C[C@H](c1ccc(Br)cc1)[NH+](C)C ZINC000001703867 177031459 /nfs/dbraw/zinc/03/14/59/177031459.db2.gz YUNJWUBNQZOPRY-MRVPVSSYSA-N 1 0 228.133 3.072 50 0 BGAARO c1ccc(CCC[NH2+]CCc2ccccc2)cc1 ZINC000001707035 183391602 /nfs/dbraw/zinc/39/16/02/183391602.db2.gz MCXHGJLRTJKZGT-UHFFFAOYSA-N 1 0 239.362 3.452 50 0 in-vivo BGAARO C[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000001712465 342710642 /nfs/dbraw/zinc/71/06/42/342710642.db2.gz MRVIUBHXZKIUJZ-OAHLLOKOSA-N 1 0 239.362 3.450 50 0 BGAARO [NH3+]CCC(c1ccccc1)c1ccccc1 ZINC000001723265 181370546 /nfs/dbraw/zinc/37/05/46/181370546.db2.gz KISZTEOELCMZPY-UHFFFAOYSA-N 1 0 211.308 3.167 50 0 in-vivo BGAARO c1ccc(C[n+]2cccc3ccccc32)cc1 ZINC000001726653 383930889 /nfs/dbraw/zinc/93/08/89/383930889.db2.gz VQGBPCIONNQYIL-UHFFFAOYSA-N 1 0 220.295 3.176 50 0 BGAARO CCCC[N@H+]1C[C@@H]2CC(Cl)=CC[C@@H]2C1 ZINC000001746741 387490731 /nfs/dbraw/zinc/49/07/31/387490731.db2.gz PVRVHWLEIQVCSY-MNOVXSKESA-N 1 0 213.752 3.251 50 0 BGAARO C[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000001748031 342712071 /nfs/dbraw/zinc/71/20/71/342712071.db2.gz XNKICCFGYSXSAI-LBPRGKRZSA-N 1 0 211.308 3.166 50 0 BGAARO CCOCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000001755755 383935284 /nfs/dbraw/zinc/93/52/84/383935284.db2.gz QBHKPKCAZCWMAE-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO CCOCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000001755757 383935003 /nfs/dbraw/zinc/93/50/03/383935003.db2.gz KFZUYCXDRBLQLA-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO Cc1cc2c(cc1C)C(C)=[NH+]C(C)(C)C2 ZINC000001759018 168133147 /nfs/dbraw/zinc/13/31/47/168133147.db2.gz KVSKHGWQMZXGQL-UHFFFAOYSA-N 1 0 201.313 3.447 50 0 BGAARO CCCCC[N@H+](C)[C@H](C)[C@H](O)c1ccccc1 ZINC000001759116 358435395 /nfs/dbraw/zinc/43/53/95/358435395.db2.gz OOBZDMZDFWDBRU-HIFRSBDPSA-N 1 0 235.371 3.231 50 0 BGAARO C[NH+](C)CCn1c2ccccc2c2ccccc21 ZINC000001764875 351324369 /nfs/dbraw/zinc/32/43/69/351324369.db2.gz PMWWYUOBIQPGJM-UHFFFAOYSA-N 1 0 238.334 3.356 50 0 BGAARO CCCCc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000001787658 169024717 /nfs/dbraw/zinc/02/47/17/169024717.db2.gz LEVMBRDBNSGBQA-UHFFFAOYSA-N 1 0 216.328 3.012 50 0 BGAARO CCCCCCN1c2ccccc2N2CC[NH+]=C12 ZINC000001798308 168660885 /nfs/dbraw/zinc/66/08/85/168660885.db2.gz DYJKVFUFDARUDO-UHFFFAOYSA-N 1 0 243.354 3.263 50 0 BGAARO NC1=Cc2ccccc2C[N@@H+]1C1CCCCC1 ZINC000001806943 181338487 /nfs/dbraw/zinc/33/84/87/181338487.db2.gz KVIGRPXWURWBJS-UHFFFAOYSA-N 1 0 228.339 3.092 50 0 BGAARO CCCCn1c2c(c(=[NH2+])c3ccccc31)CCC2 ZINC000001814048 169034647 /nfs/dbraw/zinc/03/46/47/169034647.db2.gz NQLQTWGITUWPBT-UHFFFAOYSA-N 1 0 240.350 3.410 50 0 BGAARO CCCC[NH2+]Cc1cc2ccccc2o1 ZINC000001834910 383938744 /nfs/dbraw/zinc/93/87/44/383938744.db2.gz DINSXQNLQCYRJA-UHFFFAOYSA-N 1 0 203.285 3.323 50 0 BGAARO C[C@H]([NH3+])c1ccc(OC2CCCCC2)cc1 ZINC000001847341 342712895 /nfs/dbraw/zinc/71/28/95/342712895.db2.gz HHJBVFBJOXZBHX-NSHDSACASA-N 1 0 219.328 3.418 50 0 BGAARO C[C@@H]([NH3+])c1ccc(OC2CCCCC2)cc1 ZINC000001847344 383937643 /nfs/dbraw/zinc/93/76/43/383937643.db2.gz HHJBVFBJOXZBHX-LLVKDONJSA-N 1 0 219.328 3.418 50 0 BGAARO [NH3+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000001848523 342713093 /nfs/dbraw/zinc/71/30/93/342713093.db2.gz ABMVTYGGTMHHTN-HNNXBMFYSA-N 1 0 211.308 3.319 50 0 BGAARO CCC[C@@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000001849892 169347884 /nfs/dbraw/zinc/34/78/84/169347884.db2.gz SWUVZKWCOBGPTH-HNNXBMFYSA-N 1 0 245.366 3.442 50 0 in-man BGAARO C[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000001852596 342713099 /nfs/dbraw/zinc/71/30/99/342713099.db2.gz WSQOGHJCBFRHSI-NSHDSACASA-N 1 0 213.280 3.499 50 0 BGAARO C[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000001852597 383937894 /nfs/dbraw/zinc/93/78/94/383937894.db2.gz WSQOGHJCBFRHSI-LLVKDONJSA-N 1 0 213.280 3.499 50 0 BGAARO COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000001854822 383939507 /nfs/dbraw/zinc/93/95/07/383939507.db2.gz ONSSOYCKZSYAQS-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO CCSc1sc2sccc2[n+]1CC ZINC000001882648 346211503 /nfs/dbraw/zinc/21/15/03/346211503.db2.gz KQPGZJZJVVVZGP-UHFFFAOYSA-N 1 0 230.403 3.382 50 0 BGAARO c1ccc2c(c1)cccc2CSC1=[NH+]CCN1 ZINC000001994441 383943936 /nfs/dbraw/zinc/94/39/36/383943936.db2.gz VIWWPLJIBJJQAA-UHFFFAOYSA-N 1 0 242.347 3.032 50 0 BGAARO C[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000002003663 173357169 /nfs/dbraw/zinc/35/71/69/173357169.db2.gz AGSLYHYWLYGAOU-UHFFFAOYSA-N 1 0 241.334 3.012 50 0 world BGAARO Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C ZINC000002006083 342714224 /nfs/dbraw/zinc/71/42/24/342714224.db2.gz LBGPXIPGGRQBJW-UHFFFAOYSA-N 1 0 249.337 3.184 50 0 in-vitro BGAARO C[NH+](C)CCO[C@H]1CCCCc2ccccc21 ZINC000002007166 359690622 /nfs/dbraw/zinc/69/06/22/359690622.db2.gz DCEKGEWILPCXCE-HNNXBMFYSA-N 1 0 233.355 3.032 50 0 BGAARO C[NH+](C)CCO[C@@H]1CCCCc2ccccc21 ZINC000002007167 359690610 /nfs/dbraw/zinc/69/06/10/359690610.db2.gz DCEKGEWILPCXCE-OAHLLOKOSA-N 1 0 233.355 3.032 50 0 BGAARO CCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000002007513 387849773 /nfs/dbraw/zinc/84/97/73/387849773.db2.gz AWILLBFKRSNRGY-UHFFFAOYSA-N 1 0 207.361 3.201 50 0 BGAARO C[NH+](C)CCN(c1ccccc1)c1ccccc1 ZINC000002011464 398057454 /nfs/dbraw/zinc/05/74/54/398057454.db2.gz BVSCXLNOACOCHU-UHFFFAOYSA-N 1 0 240.350 3.386 50 0 BGAARO C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000002015004 342714380 /nfs/dbraw/zinc/71/43/80/342714380.db2.gz RPFHBVPOPMRKHB-LBPRGKRZSA-N 1 0 211.308 3.243 50 0 BGAARO C[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000002015005 383944573 /nfs/dbraw/zinc/94/45/73/383944573.db2.gz RPFHBVPOPMRKHB-GFCCVEGCSA-N 1 0 211.308 3.243 50 0 BGAARO Cc1cccc2c([C@H]3CCC[N@H+]3C)c[nH]c21 ZINC000002016833 179213700 /nfs/dbraw/zinc/21/37/00/179213700.db2.gz PALMSMPURBFZAO-CYBMUJFWSA-N 1 0 214.312 3.243 50 0 BGAARO Cc1cccc2c([C@@H]3CCC[N@H+]3C)c[nH]c21 ZINC000002016834 179211725 /nfs/dbraw/zinc/21/17/25/179211725.db2.gz PALMSMPURBFZAO-ZDUSSCGKSA-N 1 0 214.312 3.243 50 0 BGAARO Cc1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C ZINC000002016862 368735792 /nfs/dbraw/zinc/73/57/92/368735792.db2.gz CWGDEZCIDYRJGS-CYBMUJFWSA-N 1 0 214.312 3.243 50 0 BGAARO Cc1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C ZINC000002016863 368735970 /nfs/dbraw/zinc/73/59/70/368735970.db2.gz CWGDEZCIDYRJGS-ZDUSSCGKSA-N 1 0 214.312 3.243 50 0 BGAARO c1ccc2cc(C[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000002024280 383944065 /nfs/dbraw/zinc/94/40/65/383944065.db2.gz WYUUOCBNKQDCRG-HNNXBMFYSA-N 1 0 211.308 3.134 50 0 BGAARO C[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000002033994 342714864 /nfs/dbraw/zinc/71/48/64/342714864.db2.gz MRVIUBHXZKIUJZ-HNNXBMFYSA-N 1 0 239.362 3.450 50 0 BGAARO c1c(C[NH+]2CCCCC2)onc1-c1ccccc1 ZINC000002039731 183378040 /nfs/dbraw/zinc/37/80/40/183378040.db2.gz IDNKMEIJFTWUEG-UHFFFAOYSA-N 1 0 242.322 3.328 50 0 BGAARO C[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000002042148 175801837 /nfs/dbraw/zinc/80/18/37/175801837.db2.gz XNKICCFGYSXSAI-GFCCVEGCSA-N 1 0 211.308 3.166 50 0 BGAARO [NH3+]CCc1csc2ccc(Cl)cc12 ZINC000002127331 181413568 /nfs/dbraw/zinc/41/35/68/181413568.db2.gz QTODCBPICKEITJ-UHFFFAOYSA-N 1 0 211.717 3.056 50 0 BGAARO CC(C)CC[C@@H](CC[NH3+])c1ccc2c(c1)OCO2 ZINC000002131153 166895262 /nfs/dbraw/zinc/89/52/62/166895262.db2.gz NUIAJNSUEMKDMQ-LBPRGKRZSA-N 1 0 249.354 3.284 50 0 BGAARO CC(C)CC[C@H](CC[NH3+])c1ccc2c(c1)OCO2 ZINC000002131154 351979157 /nfs/dbraw/zinc/97/91/57/351979157.db2.gz NUIAJNSUEMKDMQ-GFCCVEGCSA-N 1 0 249.354 3.284 50 0 BGAARO C[C@@H]1CC[C@H]2[C@@H]([NH2+]1)c1ccccc1OC2(C)C ZINC000002137998 643455801 /nfs/dbraw/zinc/45/58/01/643455801.db2.gz JKYWBXHMWFQXCG-OSMZGAPFSA-N 1 0 231.339 3.287 50 0 BGAARO c1ccc(CCCC2CC[NH2+]CC2)cc1 ZINC000002164489 383953674 /nfs/dbraw/zinc/95/36/74/383953674.db2.gz HASRFXGIJALRRB-UHFFFAOYSA-N 1 0 203.329 3.009 50 0 BGAARO C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000002165188 173454307 /nfs/dbraw/zinc/45/43/07/173454307.db2.gz GNMNPHPUCWQGJK-OAHLLOKOSA-N 1 0 211.308 3.190 50 0 BGAARO CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000002168856 170126669 /nfs/dbraw/zinc/12/66/69/170126669.db2.gz MAJQQCVMLVPMIW-UHFFFAOYSA-N 1 0 204.100 3.103 50 0 BGAARO CCCC[NH2+]Cc1ccc(SC)cc1 ZINC000002181866 383956424 /nfs/dbraw/zinc/95/64/24/383956424.db2.gz YNMRZUDIWMFTKC-UHFFFAOYSA-N 1 0 209.358 3.298 50 0 BGAARO Cc1cccc(C)c1OCCC[NH+]1CCCC1 ZINC000002183537 179046907 /nfs/dbraw/zinc/04/69/07/179046907.db2.gz YLOLSXUINNMEAR-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO C[NH+](C)CCC[C@@](C)(O)C(C)(C)c1ccccc1 ZINC000002187330 383957181 /nfs/dbraw/zinc/95/71/81/383957181.db2.gz PHYAOSLAMQIOAR-MRXNPFEDSA-N 1 0 249.398 3.057 50 0 BGAARO C[NH+](C)CCC[C@](C)(O)C(C)(C)c1ccccc1 ZINC000002187331 172445828 /nfs/dbraw/zinc/44/58/28/172445828.db2.gz PHYAOSLAMQIOAR-INIZCTEOSA-N 1 0 249.398 3.057 50 0 BGAARO C[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000002187415 173350027 /nfs/dbraw/zinc/35/00/27/173350027.db2.gz XKUZHEKJQDWTDB-UHFFFAOYSA-N 1 0 241.334 3.342 50 0 BGAARO c1ccc(SCC[NH2+]C2CCCC2)cc1 ZINC000002191174 188274805 /nfs/dbraw/zinc/27/48/05/188274805.db2.gz MNOILUSTUQOBJF-UHFFFAOYSA-N 1 0 221.369 3.311 50 0 BGAARO Cc1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002191206 342716747 /nfs/dbraw/zinc/71/67/47/342716747.db2.gz NJHSKWBUPOZGDD-UHFFFAOYSA-N 1 0 233.355 3.296 50 0 BGAARO Cc1cccc(OCCC[NH2+]C2CCCC2)c1 ZINC000002191207 179164289 /nfs/dbraw/zinc/16/42/89/179164289.db2.gz VJCJLIDSQQZCTD-UHFFFAOYSA-N 1 0 233.355 3.296 50 0 BGAARO Cc1cccc(C)c1OCC[NH2+]C1CCCC1 ZINC000002191215 179046153 /nfs/dbraw/zinc/04/61/53/179046153.db2.gz PGIISYITGKRICR-UHFFFAOYSA-N 1 0 233.355 3.214 50 0 BGAARO CC[NH+](CC)CC(=O)c1c[nH]c2ccc(C)cc12 ZINC000002194142 169768975 /nfs/dbraw/zinc/76/89/75/169768975.db2.gz AGEDXJOYWDYTTN-UHFFFAOYSA-N 1 0 244.338 3.001 50 0 BGAARO O[C@H](CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000002285980 183219240 /nfs/dbraw/zinc/21/92/40/183219240.db2.gz BCMRGEAATQZFCK-MRXNPFEDSA-N 1 0 247.382 3.376 50 0 BGAARO O[C@@H](CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000002285981 183173015 /nfs/dbraw/zinc/17/30/15/183173015.db2.gz BCMRGEAATQZFCK-INIZCTEOSA-N 1 0 247.382 3.376 50 0 BGAARO FC(F)(F)c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000002382424 383960022 /nfs/dbraw/zinc/96/00/22/383960022.db2.gz GSOGADJIIMVREB-JTQLQIEISA-N 1 0 215.218 3.130 50 0 BGAARO CC(C)(C)c1ccc(CSCC[NH3+])cc1 ZINC000002383489 342719544 /nfs/dbraw/zinc/71/95/44/342719544.db2.gz LNKKHWPAUNSIQI-UHFFFAOYSA-N 1 0 223.385 3.176 50 0 BGAARO [NH3+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000002386702 383961512 /nfs/dbraw/zinc/96/15/12/383961512.db2.gz ZQTJTARQSZTPGD-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO Cc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000002390501 179090816 /nfs/dbraw/zinc/09/08/16/179090816.db2.gz FFWZPSNFUSWMAH-UHFFFAOYSA-N 1 0 203.329 3.417 50 0 BGAARO Cc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000002390503 342719712 /nfs/dbraw/zinc/71/97/12/342719712.db2.gz DEIYMPNQHPOHSK-UHFFFAOYSA-N 1 0 211.308 3.285 50 0 BGAARO Cc1ccccc1C[NH2+]Cc1ccccc1 ZINC000002390507 179282600 /nfs/dbraw/zinc/28/26/00/179282600.db2.gz QSBDXBZYSGBRBS-UHFFFAOYSA-N 1 0 211.308 3.285 50 0 BGAARO c1ccc2cc(C3CC[NH2+]CC3)ccc2c1 ZINC000002391676 383961908 /nfs/dbraw/zinc/96/19/08/383961908.db2.gz TXJOHNASMKJWGI-UHFFFAOYSA-N 1 0 211.308 3.307 50 0 BGAARO c1ccc2c(c1)cccc2C1CC[NH2+]CC1 ZINC000002391678 383961897 /nfs/dbraw/zinc/96/18/97/383961897.db2.gz SSSBLYQLIOQJSB-UHFFFAOYSA-N 1 0 211.308 3.307 50 0 BGAARO c1ccc2c(c1)CC[NH2+][C@H]2C1CCCCC1 ZINC000002391826 383961783 /nfs/dbraw/zinc/96/17/83/383961783.db2.gz OMYOTQLWOQIIKW-HNNXBMFYSA-N 1 0 215.340 3.454 50 0 BGAARO CCCC[N@H+](C)[C@@H](C)CCc1ccc(O)cc1 ZINC000002464078 642352464 /nfs/dbraw/zinc/35/24/64/642352464.db2.gz CNBLYLWPZUMVSN-ZDUSSCGKSA-N 1 0 235.371 3.445 50 0 BGAARO CCCC[N@H+](C)[C@H](C)CCc1ccc(O)cc1 ZINC000002464081 642351801 /nfs/dbraw/zinc/35/18/01/642351801.db2.gz CNBLYLWPZUMVSN-CYBMUJFWSA-N 1 0 235.371 3.445 50 0 BGAARO CC(C)(C)[NH2+]CCCCOc1ccccc1 ZINC000002464413 166630060 /nfs/dbraw/zinc/63/00/60/166630060.db2.gz QWPFSABAAGLGDN-UHFFFAOYSA-N 1 0 221.344 3.234 50 0 BGAARO CC(C)(C)[NH2+]CCCCOc1ccc(F)cc1 ZINC000002466281 342720972 /nfs/dbraw/zinc/72/09/72/342720972.db2.gz UBBUNAKFEUCDTH-UHFFFAOYSA-N 1 0 239.334 3.373 50 0 BGAARO CCC[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000002472399 169209734 /nfs/dbraw/zinc/20/97/34/169209734.db2.gz NZBMCFAPUPWLPQ-OFQRWUPVSA-N 1 0 247.382 3.015 50 0 BGAARO C[NH+](C)CC1(c2ccccc2)CCCC1 ZINC000002483478 385738571 /nfs/dbraw/zinc/73/85/71/385738571.db2.gz SMWMZOJNQVTHHT-UHFFFAOYSA-N 1 0 203.329 3.060 50 0 BGAARO CCC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000002485346 169281001 /nfs/dbraw/zinc/28/10/01/169281001.db2.gz COECAFGALBNHGR-HNNXBMFYSA-N 1 0 226.323 3.171 50 0 BGAARO CCC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000002485350 169290565 /nfs/dbraw/zinc/29/05/65/169290565.db2.gz COECAFGALBNHGR-OAHLLOKOSA-N 1 0 226.323 3.171 50 0 BGAARO CC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000002485545 170167199 /nfs/dbraw/zinc/16/71/99/170167199.db2.gz RJUTVACDIZQGRJ-AWEZNQCLSA-N 1 0 228.339 3.463 50 0 BGAARO CC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000002485547 170151903 /nfs/dbraw/zinc/15/19/03/170151903.db2.gz RJUTVACDIZQGRJ-CQSZACIVSA-N 1 0 228.339 3.463 50 0 BGAARO Cc1ccc(C)c2c1CC(C)(C)[NH+]=C2C ZINC000002491820 168132874 /nfs/dbraw/zinc/13/28/74/168132874.db2.gz LHDLZNZCZGIHPG-UHFFFAOYSA-N 1 0 201.313 3.447 50 0 BGAARO CC[NH+](CC)CCCOc1cccc(C)c1 ZINC000002493473 642391573 /nfs/dbraw/zinc/39/15/73/642391573.db2.gz RHFIOMSEPXMKDB-UHFFFAOYSA-N 1 0 221.344 3.106 50 0 BGAARO CC[NH+](CC)CCCCOc1ccc(C)cc1 ZINC000002493474 642392062 /nfs/dbraw/zinc/39/20/62/642392062.db2.gz CRJZWTFYDLQOOF-UHFFFAOYSA-N 1 0 235.371 3.496 50 0 BGAARO CC[NH+](CC)CCCCOc1ccccc1 ZINC000002493490 346509460 /nfs/dbraw/zinc/50/94/60/346509460.db2.gz DIWLMMWVOYYSPY-UHFFFAOYSA-N 1 0 221.344 3.187 50 0 BGAARO CC[NH+](CC)CCCCOc1ccccc1C ZINC000002493498 642392200 /nfs/dbraw/zinc/39/22/00/642392200.db2.gz AGJXQYDTNBTMNS-UHFFFAOYSA-N 1 0 235.371 3.496 50 0 BGAARO CC[NH+](CC)CCCOc1ccc(C)cc1 ZINC000002493502 342721358 /nfs/dbraw/zinc/72/13/58/342721358.db2.gz NNWVAFDBMZAAAY-UHFFFAOYSA-N 1 0 221.344 3.106 50 0 BGAARO c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002493543 183418991 /nfs/dbraw/zinc/41/89/91/183418991.db2.gz XLDXCWGOXWMBAX-UHFFFAOYSA-N 1 0 233.355 3.332 50 0 BGAARO CCCCOc1ccc(CSCC[NH3+])cc1 ZINC000002493807 346509907 /nfs/dbraw/zinc/50/99/07/346509907.db2.gz PCAKBDKRPGYNHG-UHFFFAOYSA-N 1 0 239.384 3.057 50 0 BGAARO Cc1ccc(OCCC[NH+]2CCCC2)c(C)c1 ZINC000002494136 642398245 /nfs/dbraw/zinc/39/82/45/642398245.db2.gz SNTAZEDPTDOUDD-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO Clc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000002494174 342721185 /nfs/dbraw/zinc/72/11/85/342721185.db2.gz GUHJJQWNGDNIPD-UHFFFAOYSA-N 1 0 239.746 3.205 50 0 BGAARO Cc1ccc(OCCC[NH+]2CCCC2)cc1C ZINC000002494196 388459090 /nfs/dbraw/zinc/45/90/90/388459090.db2.gz UDCYTQIHZMADOO-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO Clc1ccccc1OCCC[NH+]1CCCC1 ZINC000002494216 632737979 /nfs/dbraw/zinc/73/79/79/632737979.db2.gz CTNLCMSBWISPRM-UHFFFAOYSA-N 1 0 239.746 3.205 50 0 BGAARO CC[NH+](CC)CCCOc1ccc(C)cc1C ZINC000002494289 169775973 /nfs/dbraw/zinc/77/59/73/169775973.db2.gz VPFAGHDUXYBKGM-UHFFFAOYSA-N 1 0 235.371 3.414 50 0 BGAARO CC[NH+](CC)CCCOc1ccccc1Cl ZINC000002494482 642393947 /nfs/dbraw/zinc/39/39/47/642393947.db2.gz HOPSRWJIFPRXEN-UHFFFAOYSA-N 1 0 241.762 3.451 50 0 BGAARO CCCC[N@H+](C)Cc1ccnc2ccccc12 ZINC000002494729 343270650 /nfs/dbraw/zinc/27/06/50/343270650.db2.gz GBFIJNUFPUUOER-UHFFFAOYSA-N 1 0 228.339 3.467 50 0 BGAARO Cc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000002496038 179165149 /nfs/dbraw/zinc/16/51/49/179165149.db2.gz FYIOQHDESQBGQB-UHFFFAOYSA-N 1 0 233.355 3.250 50 0 BGAARO Cc1cccc(OCCCC[NH+]2CCCC2)c1 ZINC000002496717 343270886 /nfs/dbraw/zinc/27/08/86/343270886.db2.gz GCCJEEQXUUQZLR-UHFFFAOYSA-N 1 0 233.355 3.250 50 0 BGAARO Cc1ccccc1OCCCC[NH+]1CCCC1 ZINC000002496737 343270658 /nfs/dbraw/zinc/27/06/58/343270658.db2.gz HXFHBACJOBGZTP-UHFFFAOYSA-N 1 0 233.355 3.250 50 0 BGAARO CC[NH+](CC)CCCCOc1cccc(C)c1 ZINC000002496992 642399897 /nfs/dbraw/zinc/39/98/97/642399897.db2.gz WUJFNRUWHOSYRK-UHFFFAOYSA-N 1 0 235.371 3.496 50 0 BGAARO Cc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002497065 188100882 /nfs/dbraw/zinc/10/08/82/188100882.db2.gz NTENYUBRKABRBW-UHFFFAOYSA-N 1 0 233.355 3.250 50 0 BGAARO Fc1ccccc1OCCC[NH+]1CCCCC1 ZINC000002497101 181014650 /nfs/dbraw/zinc/01/46/50/181014650.db2.gz JODOMTDMZBPPRN-UHFFFAOYSA-N 1 0 237.318 3.081 50 0 BGAARO CC[NH+](CC)CCCOc1ccc(C)c(C)c1 ZINC000002497106 346163077 /nfs/dbraw/zinc/16/30/77/346163077.db2.gz XCVARTIIACTNHF-UHFFFAOYSA-N 1 0 235.371 3.414 50 0 BGAARO Fc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000002497140 342721339 /nfs/dbraw/zinc/72/13/39/342721339.db2.gz TZYJWARWZPFUOP-UHFFFAOYSA-N 1 0 237.318 3.081 50 0 BGAARO Fc1ccccc1OCCCC[NH+]1CCCC1 ZINC000002497156 642399531 /nfs/dbraw/zinc/39/95/31/642399531.db2.gz AWXQKFVBRBRYLZ-UHFFFAOYSA-N 1 0 237.318 3.081 50 0 BGAARO CC[NH+](CC)CCCOc1ccc(Cl)cc1 ZINC000002497206 169775979 /nfs/dbraw/zinc/77/59/79/169775979.db2.gz WTASLUMHTZXNRB-UHFFFAOYSA-N 1 0 241.762 3.451 50 0 BGAARO CCCC[NH2+]Cc1cccn1-c1ccccc1 ZINC000002497413 168870976 /nfs/dbraw/zinc/87/09/76/168870976.db2.gz OEXNNNBNBYYUKQ-UHFFFAOYSA-N 1 0 228.339 3.367 50 0 BGAARO CC[NH+](CC)CCCOc1cccc(C)c1C ZINC000002497608 642408268 /nfs/dbraw/zinc/40/82/68/642408268.db2.gz ZHKBVCXVTBWGQW-UHFFFAOYSA-N 1 0 235.371 3.414 50 0 BGAARO C[C@@H](CC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1 ZINC000002498641 343270735 /nfs/dbraw/zinc/27/07/35/343270735.db2.gz BGANQIAXOIFQLM-GOEBONIOSA-N 1 0 247.382 3.027 50 0 BGAARO COCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000002498859 174245756 /nfs/dbraw/zinc/24/57/56/174245756.db2.gz LXMGPWOOWGYLKO-UHFFFAOYSA-N 1 0 227.392 3.217 50 0 BGAARO COCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000002498904 174247616 /nfs/dbraw/zinc/24/76/16/174247616.db2.gz XANKGJBVERJPKW-UHFFFAOYSA-N 1 0 247.382 3.339 50 0 BGAARO Cc1ccc(C)c(OCCC[NH+]2CCCC2)c1 ZINC000002499454 383966485 /nfs/dbraw/zinc/96/64/85/383966485.db2.gz UMTZUYYGPAQGFO-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO C[C@@H]([NH3+])C(F)(c1ccccc1)c1ccccc1 ZINC000002506628 383966450 /nfs/dbraw/zinc/96/64/50/383966450.db2.gz FFNWFJOGQBZZQZ-GFCCVEGCSA-N 1 0 229.298 3.247 50 0 BGAARO C[C@H]([NH3+])C(F)(c1ccccc1)c1ccccc1 ZINC000002506629 383967473 /nfs/dbraw/zinc/96/74/73/383967473.db2.gz FFNWFJOGQBZZQZ-LBPRGKRZSA-N 1 0 229.298 3.247 50 0 BGAARO [NH3+]CCSCc1c(Cl)cccc1Cl ZINC000002510234 383968755 /nfs/dbraw/zinc/96/87/55/383968755.db2.gz VCKWYLGEZYGACK-UHFFFAOYSA-N 1 0 236.167 3.185 50 0 BGAARO C[C@@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000002512919 383968653 /nfs/dbraw/zinc/96/86/53/383968653.db2.gz IUBFAZSFGODJPA-SECBINFHSA-N 1 0 236.315 3.053 50 0 BGAARO Clc1cc(Cl)cc(C2CC[NH2+]CC2)c1 ZINC000002512979 180575417 /nfs/dbraw/zinc/57/54/17/180575417.db2.gz SDAZCHLLTBVGCL-UHFFFAOYSA-N 1 0 230.138 3.460 50 0 BGAARO [NH3+]Cc1ccccc1Oc1ccc(F)cc1 ZINC000002513065 383968970 /nfs/dbraw/zinc/96/89/70/383968970.db2.gz FCOKAHQJFXLPJJ-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO Cc1ccc(Oc2ccccc2C[NH3+])cc1 ZINC000002513066 383968094 /nfs/dbraw/zinc/96/80/94/383968094.db2.gz PPOVZAQWWRVUAE-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO Cc1ccccc1Oc1ccccc1C[NH3+] ZINC000002513069 179314366 /nfs/dbraw/zinc/31/43/66/179314366.db2.gz LRHMRCCAQCASKV-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO [NH3+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC000002513115 187756317 /nfs/dbraw/zinc/75/63/17/187756317.db2.gz DUVFUYQHKUSTFB-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO Cc1ccc(Oc2cccc(C[NH3+])c2)cc1 ZINC000002513116 383969033 /nfs/dbraw/zinc/96/90/33/383969033.db2.gz 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50 0 BGAARO O=C(c1cccc(C[NH+]2CCCC2)c1)C1CCC1 ZINC000002515094 342721959 /nfs/dbraw/zinc/72/19/59/342721959.db2.gz FRULAKPZZZCKKX-UHFFFAOYSA-N 1 0 243.350 3.265 50 0 BGAARO O=C(c1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000002515535 342722009 /nfs/dbraw/zinc/72/20/09/342722009.db2.gz PBCQIRPRGXUYAF-UHFFFAOYSA-N 1 0 243.350 3.265 50 0 BGAARO CC[n+]1c(C)sc2ccc(Cl)cc21 ZINC000002516793 383969798 /nfs/dbraw/zinc/96/97/98/383969798.db2.gz XQMQGXDUQPLVES-UHFFFAOYSA-N 1 0 212.725 3.171 50 0 BGAARO C[C@H](C[NH+](C)C)Oc1ccc2ccccc2c1 ZINC000002518817 176653028 /nfs/dbraw/zinc/65/30/28/176653028.db2.gz VPNHZLCKWXYDBR-GFCCVEGCSA-N 1 0 229.323 3.169 50 0 BGAARO C[C@@H](COc1ccc2ccccc2c1)[NH+](C)C ZINC000002518819 342722222 /nfs/dbraw/zinc/72/22/22/342722222.db2.gz KIXZRSGSEUGRLJ-LBPRGKRZSA-N 1 0 229.323 3.169 50 0 BGAARO Cc1ccc(NC(=[NH2+])NCc2ccccc2)cc1 ZINC000002518946 383968989 /nfs/dbraw/zinc/96/89/89/383968989.db2.gz SMRIWVOQZHSARY-UHFFFAOYSA-N 1 0 239.322 3.131 50 0 BGAARO Cc1c[nH]c(/C=C2\[NH+]=CC(C)=C2C)c1C ZINC000002519583 168080264 /nfs/dbraw/zinc/08/02/64/168080264.db2.gz PNMMFDNNDUJODJ-ACAGNQJTSA-N 1 0 200.285 3.393 50 0 BGAARO C[C@@H](CCCC(C)(C)O)[NH2+]Cc1ccccc1 ZINC000002522204 342722238 /nfs/dbraw/zinc/72/22/38/342722238.db2.gz OJBAKWHMDUKQLQ-ZDUSSCGKSA-N 1 0 235.371 3.106 50 0 BGAARO c1ccc(C2(c3ccccc3)CCC[NH2+]C2)cc1 ZINC000002526853 183389588 /nfs/dbraw/zinc/38/95/88/183389588.db2.gz HDZJBTLCBDRDGW-UHFFFAOYSA-N 1 0 237.346 3.356 50 0 BGAARO FC(F)(F)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000002526862 383970633 /nfs/dbraw/zinc/97/06/33/383970633.db2.gz UERYHSFWMVCBIC-NSHDSACASA-N 1 0 243.272 3.248 50 0 BGAARO c1nc(C2CC[NH2+]CC2)sc1-c1ccccc1 ZINC000002527197 183380749 /nfs/dbraw/zinc/38/07/49/183380749.db2.gz RDKOIBCQMYSNMS-UHFFFAOYSA-N 1 0 244.363 3.277 50 0 BGAARO COc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000002527487 175192710 /nfs/dbraw/zinc/19/27/10/175192710.db2.gz CCICTLJYDLLZDO-CQSZACIVSA-N 1 0 247.725 3.397 50 0 BGAARO CC(C)CC[n+]1cccc2ccccc21 ZINC000002528005 342722709 /nfs/dbraw/zinc/72/27/09/342722709.db2.gz JPOILWIMUUPRBX-UHFFFAOYSA-N 1 0 200.305 3.173 50 0 BGAARO Clc1cccc(CSC2CC[NH2+]CC2)c1 ZINC000002529348 342787796 /nfs/dbraw/zinc/78/77/96/342787796.db2.gz MYGAKMJZJUEFJP-UHFFFAOYSA-N 1 0 241.787 3.325 50 0 BGAARO Clc1cccc(SCC2CC[NH2+]CC2)c1 ZINC000002529360 342787726 /nfs/dbraw/zinc/78/77/26/342787726.db2.gz WBTRSCCVDWXZPM-UHFFFAOYSA-N 1 0 241.787 3.432 50 0 BGAARO C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000002529366 342722874 /nfs/dbraw/zinc/72/28/74/342722874.db2.gz FKLWAGSVAKNRAS-UHFFFAOYSA-N 1 0 207.704 3.059 50 0 BGAARO COc1ccc(Cl)cc1[C@H]1CCCC[NH2+]1 ZINC000002534018 175123495 /nfs/dbraw/zinc/12/34/95/175123495.db2.gz NLOGRNGKMMVGMQ-LLVKDONJSA-N 1 0 225.719 3.163 50 0 BGAARO CCCCC[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000002534281 520226279 /nfs/dbraw/zinc/22/62/79/520226279.db2.gz WKGMUFSOCSNUOH-UHFFFAOYSA-N 1 0 245.326 3.016 50 0 BGAARO [NH3+]Cc1ccc(Oc2ccccc2F)cc1 ZINC000002538834 181485698 /nfs/dbraw/zinc/48/56/98/181485698.db2.gz QYXCKJOXQGBFIV-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO [NH3+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000002538835 383973208 /nfs/dbraw/zinc/97/32/08/383973208.db2.gz LIOGVDBYTRYBOL-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO [NH3+]Cc1ccccc1Oc1ccccc1F ZINC000002538843 383972946 /nfs/dbraw/zinc/97/29/46/383972946.db2.gz XXDIHNKOCHOMLH-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO [NH3+]Cc1ccccc1Oc1cccc(F)c1 ZINC000002538844 383974244 /nfs/dbraw/zinc/97/42/44/383974244.db2.gz AUOSSKULKZMAGD-UHFFFAOYSA-N 1 0 217.243 3.077 50 0 BGAARO Cc1cc(C)[n+](-c2ccccc2F)c(C)c1 ZINC000002544836 388836892 /nfs/dbraw/zinc/83/68/92/388836892.db2.gz MJGNAJFRGPHELA-UHFFFAOYSA-N 1 0 216.279 3.028 50 0 BGAARO [NH3+][C@@H](Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC000002545436 342723495 /nfs/dbraw/zinc/72/34/95/342723495.db2.gz CYPAYHLZVBWGSA-AWEZNQCLSA-N 1 0 236.318 3.410 50 0 BGAARO COc1ccc(C=O)cc1C[NH+](C(C)C)C(C)C ZINC000002545445 175085912 /nfs/dbraw/zinc/08/59/12/175085912.db2.gz 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220.360 3.388 50 0 BGAARO Cc1ccc(C[C@H]([NH3+])c2ccccc2)cc1 ZINC000002559332 342724026 /nfs/dbraw/zinc/72/40/26/342724026.db2.gz ZICDZTXDTPZBKH-HNNXBMFYSA-N 1 0 211.308 3.238 50 0 BGAARO Clc1ccc(S[C@H]2CCC[NH2+]C2)cc1 ZINC000002559473 342723988 /nfs/dbraw/zinc/72/39/88/342723988.db2.gz QMPCXJUTUMFBQB-NSHDSACASA-N 1 0 227.760 3.184 50 0 BGAARO C[C@@H]1c2c3cc(N)ccc3oc2[C@@H](C)C[N@@H+]1C ZINC000002565473 177240208 /nfs/dbraw/zinc/24/02/08/177240208.db2.gz QMKJMCYBXWJHIO-DTWKUNHWSA-N 1 0 230.311 3.125 50 0 BGAARO CCC[NH2+][C@H]1CCc2c(OC)cccc2[C@H]1C ZINC000002567737 169292449 /nfs/dbraw/zinc/29/24/49/169292449.db2.gz YGHLYBIUVOLKCV-RISCZKNCSA-N 1 0 233.355 3.113 50 0 in-vitro BGAARO c1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000002571299 183394065 /nfs/dbraw/zinc/39/40/65/183394065.db2.gz HYESTPIIALLAAO-UHFFFAOYSA-N 1 0 203.329 3.151 50 0 BGAARO COc1ccc(OC)c(C[NH2+]C2CCCCC2)c1 ZINC000002573318 175165700 /nfs/dbraw/zinc/16/57/00/175165700.db2.gz QOLDMSMUZHEJEG-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO c1ccc(C2=[NH+]CCc3ccccc32)cc1 ZINC000002575417 183389150 /nfs/dbraw/zinc/38/91/50/183389150.db2.gz CTOQBSUYGFNMJX-UHFFFAOYSA-N 1 0 207.276 3.080 50 0 BGAARO [NH3+]C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002576552 383978768 /nfs/dbraw/zinc/97/87/68/383978768.db2.gz PNKKPFLBOWGVSF-CQSZACIVSA-N 1 0 231.726 3.431 50 0 in-vivo BGAARO C[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000002576558 173390517 /nfs/dbraw/zinc/39/05/17/173390517.db2.gz IMIUMEQDSKHKST-UHFFFAOYSA-N 1 0 213.280 3.198 50 0 BGAARO C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000002576559 173389839 /nfs/dbraw/zinc/38/98/39/173389839.db2.gz GDVLOOQWWBPGSV-UHFFFAOYSA-N 1 0 213.280 3.198 50 0 BGAARO C[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000002576561 342725322 /nfs/dbraw/zinc/72/53/22/342725322.db2.gz YWBKPTGYRUSBFV-UHFFFAOYSA-N 1 0 213.280 3.198 50 0 BGAARO Cc1ccc([C@H](C[NH3+])c2ccccc2)cc1 ZINC000002576603 342725339 /nfs/dbraw/zinc/72/53/39/342725339.db2.gz ZYFLABCDJVBRMZ-OAHLLOKOSA-N 1 0 211.308 3.086 50 0 BGAARO FC(F)(F)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000002577358 383978803 /nfs/dbraw/zinc/97/88/03/383978803.db2.gz AKGAUMQWPLQYHW-UHFFFAOYSA-N 1 0 229.245 3.172 50 0 BGAARO FC(F)(F)c1cccc(C2CC[NH2+]CC2)c1 ZINC000002577359 383978895 /nfs/dbraw/zinc/97/88/95/383978895.db2.gz IPKSNWXGEIHOMR-UHFFFAOYSA-N 1 0 229.245 3.172 50 0 BGAARO FC(F)(F)c1ccccc1C1CC[NH2+]CC1 ZINC000002577360 383978759 /nfs/dbraw/zinc/97/87/59/383978759.db2.gz KFWQOXAWVPAOKE-UHFFFAOYSA-N 1 0 229.245 3.172 50 0 BGAARO c1ccc2c(c1)cccc2[C@@H]1CCC[NH2+]C1 ZINC000002577391 383978227 /nfs/dbraw/zinc/97/82/27/383978227.db2.gz WFIGZOLXTMXGGX-CYBMUJFWSA-N 1 0 211.308 3.307 50 0 BGAARO CC(C)(C)c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000002582575 383979070 /nfs/dbraw/zinc/97/90/70/383979070.db2.gz JFBLTILAHRPXNP-ZDUSSCGKSA-N 1 0 203.329 3.409 50 0 BGAARO Clc1ccc([C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000002582601 342725830 /nfs/dbraw/zinc/72/58/30/342725830.db2.gz WCTZJESQSBXRJL-JTQLQIEISA-N 1 0 216.111 3.418 50 0 BGAARO Clc1ccc([C@@H]2CCC[NH2+]2)cc1Cl ZINC000002582603 342725790 /nfs/dbraw/zinc/72/57/90/342725790.db2.gz LTITXVXGJJQFJC-JTQLQIEISA-N 1 0 216.111 3.418 50 0 BGAARO Brc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000002582620 166100275 /nfs/dbraw/zinc/10/02/75/166100275.db2.gz GHEZGFYJGORZRD-NSHDSACASA-N 1 0 240.144 3.264 50 0 BGAARO c1ccc(CCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000002582634 183391095 /nfs/dbraw/zinc/39/10/95/183391095.db2.gz TZYMFYBXXDGLJD-AWEZNQCLSA-N 1 0 203.329 3.151 50 0 BGAARO Brc1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000002582642 166101935 /nfs/dbraw/zinc/10/19/35/166101935.db2.gz PIABJNAPJPTVKN-NSHDSACASA-N 1 0 240.144 3.264 50 0 BGAARO Clc1cc(Cl)cc([C@@H]2CCC[NH2+]2)c1 ZINC000002583832 342725747 /nfs/dbraw/zinc/72/57/47/342725747.db2.gz RGJUGOHYPAYSDI-JTQLQIEISA-N 1 0 216.111 3.418 50 0 BGAARO FC(F)(F)c1ccccc1[C@@H]1CCC[NH2+]1 ZINC000002583833 383981285 /nfs/dbraw/zinc/98/12/85/383981285.db2.gz DRQIUNNVQDIWJF-JTQLQIEISA-N 1 0 215.218 3.130 50 0 BGAARO FC(F)(F)c1ccc([C@@H]2C[NH2+]CCS2)cc1 ZINC000002585751 383981707 /nfs/dbraw/zinc/98/17/07/383981707.db2.gz ZTAJHAOFIGRZJZ-JTQLQIEISA-N 1 0 247.285 3.083 50 0 BGAARO [NH3+]CCc1ccc(/C=C/c2ccccc2)cc1 ZINC000002599334 181412114 /nfs/dbraw/zinc/41/21/14/181412114.db2.gz BKOIAMMXTBGSGT-VOTSOKGWSA-N 1 0 223.319 3.358 50 0 BGAARO Cc1ccc(C)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC000002638070 371616326 /nfs/dbraw/zinc/61/63/26/371616326.db2.gz SZCZFABPGTWKFP-INIZCTEOSA-N 1 0 242.366 3.408 50 0 BGAARO Cc1ccc(C)n1C[C@H](c1ccccc1)[NH+](C)C ZINC000002638071 371615514 /nfs/dbraw/zinc/61/55/14/371615514.db2.gz SZCZFABPGTWKFP-MRXNPFEDSA-N 1 0 242.366 3.408 50 0 BGAARO O[C@H](C[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC000002643681 183222607 /nfs/dbraw/zinc/22/26/07/183222607.db2.gz VFFVDKDAELAPEN-MRXNPFEDSA-N 1 0 245.366 3.200 50 0 BGAARO O[C@@H](C[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC000002643682 183179741 /nfs/dbraw/zinc/17/97/41/183179741.db2.gz VFFVDKDAELAPEN-INIZCTEOSA-N 1 0 245.366 3.200 50 0 BGAARO Cc1ccc(C)n1CC[NH+](C(C)C)C(C)C ZINC000002647823 371621694 /nfs/dbraw/zinc/62/16/94/371621694.db2.gz WEUMYYYJMWTATJ-UHFFFAOYSA-N 1 0 222.376 3.224 50 0 BGAARO [NH3+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000002650212 181425788 /nfs/dbraw/zinc/42/57/88/181425788.db2.gz QLJAEMUUZBSJJF-LLVKDONJSA-N 1 0 242.347 3.320 50 0 BGAARO [NH3+]C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000002650213 383981473 /nfs/dbraw/zinc/98/14/73/383981473.db2.gz QLJAEMUUZBSJJF-NSHDSACASA-N 1 0 242.347 3.320 50 0 BGAARO COc1ccccc1C[NH2+]Cc1cccs1 ZINC000002651913 175330645 /nfs/dbraw/zinc/33/06/45/175330645.db2.gz BNUOVFLGFYELTB-UHFFFAOYSA-N 1 0 233.336 3.047 50 0 BGAARO COc1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000002738648 175091583 /nfs/dbraw/zinc/09/15/83/175091583.db2.gz XHHDGXBYSDCBSY-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(C)cc1 ZINC000002765151 342727055 /nfs/dbraw/zinc/72/70/55/342727055.db2.gz KHCANPMOSXIPON-UHFFFAOYSA-N 1 0 248.370 3.056 50 0 BGAARO CCCC[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000002783912 342727003 /nfs/dbraw/zinc/72/70/03/342727003.db2.gz XYEWZOOFIKVHPP-UHFFFAOYSA-N 1 0 248.370 3.056 50 0 BGAARO c1ccc2cc(C[NH+]3CCSCC3)ccc2c1 ZINC000002816601 383990346 /nfs/dbraw/zinc/99/03/46/383990346.db2.gz YKUCZWQSDBHQOJ-UHFFFAOYSA-N 1 0 243.375 3.389 50 0 BGAARO Cc1cccc(OCC[NH2+]Cc2ccccc2)c1 ZINC000002821860 524749311 /nfs/dbraw/zinc/74/93/11/524749311.db2.gz NXBDNBLQPFCSRG-UHFFFAOYSA-N 1 0 241.334 3.164 50 0 BGAARO Cc1cc(C)c(C)c(OCCCC[NH+](C)C)c1 ZINC000002821927 385103473 /nfs/dbraw/zinc/10/34/73/385103473.db2.gz WKOZCVNKRUESDH-UHFFFAOYSA-N 1 0 235.371 3.332 50 0 BGAARO C[NH+](C)CCCOc1ccc(C(C)(C)C)cc1 ZINC000002822084 388479758 /nfs/dbraw/zinc/47/97/58/388479758.db2.gz PMLCJKFAEQJPJR-UHFFFAOYSA-N 1 0 235.371 3.315 50 0 BGAARO CC[C@@H](C)[NH2+]CCCOc1ccc(C)cc1 ZINC000002822174 170751968 /nfs/dbraw/zinc/75/19/68/170751968.db2.gz RVUBIEYXBZNZPX-CYBMUJFWSA-N 1 0 221.344 3.152 50 0 BGAARO CC[C@H](C)[NH2+]CCCOc1ccc(C)cc1 ZINC000002822175 171340701 /nfs/dbraw/zinc/34/07/01/171340701.db2.gz RVUBIEYXBZNZPX-ZDUSSCGKSA-N 1 0 221.344 3.152 50 0 BGAARO CC[C@@H](C)[NH2+]CCOc1ccc(C)c(C)c1 ZINC000002822286 363080494 /nfs/dbraw/zinc/08/04/94/363080494.db2.gz PPPFNGAGZJHJKP-CYBMUJFWSA-N 1 0 221.344 3.070 50 0 BGAARO CC[C@H](C)[NH2+]CCOc1ccc(C)c(C)c1 ZINC000002822287 171340451 /nfs/dbraw/zinc/34/04/51/171340451.db2.gz PPPFNGAGZJHJKP-ZDUSSCGKSA-N 1 0 221.344 3.070 50 0 BGAARO Cc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000002822552 388479858 /nfs/dbraw/zinc/47/98/58/388479858.db2.gz YKLDEHREGBUFKH-OAHLLOKOSA-N 1 0 247.382 3.496 50 0 BGAARO Cc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000002822554 191114029 /nfs/dbraw/zinc/11/40/29/191114029.db2.gz YKLDEHREGBUFKH-HNNXBMFYSA-N 1 0 247.382 3.496 50 0 BGAARO CCc1ccccc1OCCC[NH2+][C@@H](C)CC ZINC000002822818 388479364 /nfs/dbraw/zinc/47/93/64/388479364.db2.gz PMBZIGPMCXEXSW-ZDUSSCGKSA-N 1 0 235.371 3.406 50 0 BGAARO CCc1ccccc1OCCC[NH2+][C@H](C)CC ZINC000002822819 388480018 /nfs/dbraw/zinc/48/00/18/388480018.db2.gz PMBZIGPMCXEXSW-CYBMUJFWSA-N 1 0 235.371 3.406 50 0 BGAARO CC[C@@H](C)[NH2+]CCOc1cc(C)ccc1Cl ZINC000002823232 170751371 /nfs/dbraw/zinc/75/13/71/170751371.db2.gz LIZKXPIBUYKDNY-LLVKDONJSA-N 1 0 241.762 3.415 50 0 BGAARO CC[C@H](C)[NH2+]CCOc1cc(C)ccc1Cl ZINC000002823233 171340657 /nfs/dbraw/zinc/34/06/57/171340657.db2.gz LIZKXPIBUYKDNY-NSHDSACASA-N 1 0 241.762 3.415 50 0 BGAARO Cc1ccc(OCCCC[NH+](C)C)cc1C ZINC000002823298 363080616 /nfs/dbraw/zinc/08/06/16/363080616.db2.gz SMAVYQPFNIKQSA-UHFFFAOYSA-N 1 0 221.344 3.024 50 0 BGAARO CC[C@@H](C)[NH2+]CCCOc1cc(C)ccc1C ZINC000002823327 363080389 /nfs/dbraw/zinc/08/03/89/363080389.db2.gz IQKUNPPEPISLLY-CQSZACIVSA-N 1 0 235.371 3.460 50 0 BGAARO CC[C@H](C)[NH2+]CCCOc1cc(C)ccc1C ZINC000002823328 171340387 /nfs/dbraw/zinc/34/03/87/171340387.db2.gz IQKUNPPEPISLLY-AWEZNQCLSA-N 1 0 235.371 3.460 50 0 BGAARO C[NH+](C)CCCCOc1cccc(Cl)c1 ZINC000002823599 172430218 /nfs/dbraw/zinc/43/02/18/172430218.db2.gz IVQWLNDHNJHWNB-UHFFFAOYSA-N 1 0 227.735 3.061 50 0 BGAARO CC[C@@H](C)[NH2+]CCOc1ccc(C)cc1Cl ZINC000002823701 363080184 /nfs/dbraw/zinc/08/01/84/363080184.db2.gz NVULQAXUTCYNTI-LLVKDONJSA-N 1 0 241.762 3.415 50 0 BGAARO CC[C@H](C)[NH2+]CCOc1ccc(C)cc1Cl ZINC000002823702 171340066 /nfs/dbraw/zinc/34/00/66/171340066.db2.gz NVULQAXUTCYNTI-NSHDSACASA-N 1 0 241.762 3.415 50 0 BGAARO CC(C)c1cccc(OCCC[NH+](C)C)c1 ZINC000002823869 363080306 /nfs/dbraw/zinc/08/03/06/363080306.db2.gz CKMDFSDJDTWGNN-UHFFFAOYSA-N 1 0 221.344 3.141 50 0 BGAARO CC[C@@H](C)[NH2+]CCOc1cc(C)cc(C)c1C ZINC000002824045 363079969 /nfs/dbraw/zinc/07/99/69/363079969.db2.gz XIUBFULPZMVJOZ-CYBMUJFWSA-N 1 0 235.371 3.379 50 0 BGAARO CC[C@H](C)[NH2+]CCOc1cc(C)cc(C)c1C ZINC000002824046 171340027 /nfs/dbraw/zinc/34/00/27/171340027.db2.gz XIUBFULPZMVJOZ-ZDUSSCGKSA-N 1 0 235.371 3.379 50 0 BGAARO C[NH+](C)CCCOc1ccc2ccccc2c1 ZINC000002824188 388479377 /nfs/dbraw/zinc/47/93/77/388479377.db2.gz FWOASNXNHKEEEW-UHFFFAOYSA-N 1 0 229.323 3.170 50 0 BGAARO Cc1cc(C)c(OCCC[NH+](C)C)c(Cl)c1 ZINC000002825152 388479697 /nfs/dbraw/zinc/47/96/97/388479697.db2.gz LOFKUVDOIMUDRV-UHFFFAOYSA-N 1 0 241.762 3.287 50 0 BGAARO CCc1cccc(OCCC[NH2+][C@@H](C)CC)c1 ZINC000002825200 388479712 /nfs/dbraw/zinc/47/97/12/388479712.db2.gz IMVMASUMAJULST-ZDUSSCGKSA-N 1 0 235.371 3.406 50 0 BGAARO CCc1cccc(OCCC[NH2+][C@H](C)CC)c1 ZINC000002825201 171864421 /nfs/dbraw/zinc/86/44/21/171864421.db2.gz IMVMASUMAJULST-CYBMUJFWSA-N 1 0 235.371 3.406 50 0 BGAARO CCCC[n+]1c(C)sc2ccccc21 ZINC000002831200 188100667 /nfs/dbraw/zinc/10/06/67/188100667.db2.gz WUBADEYCUXCRMK-UHFFFAOYSA-N 1 0 206.334 3.297 50 0 BGAARO COc1ccc([C@H](CC[NH3+])c2ccccc2)cc1 ZINC000002841286 343268810 /nfs/dbraw/zinc/26/88/10/343268810.db2.gz BOXAQKOVJLKRPK-MRXNPFEDSA-N 1 0 241.334 3.176 50 0 BGAARO C[NH2+]CCOc1c(Cl)ccc2ccccc21 ZINC000002844253 173356640 /nfs/dbraw/zinc/35/66/40/173356640.db2.gz JYGNWHMHDIZVPI-UHFFFAOYSA-N 1 0 235.714 3.091 50 0 BGAARO CCc1cc(OCCCC[NH2+]C)ccc1Cl ZINC000002845030 342727234 /nfs/dbraw/zinc/72/72/34/342727234.db2.gz OVMRPTRWLMVAPK-UHFFFAOYSA-N 1 0 241.762 3.281 50 0 BGAARO Cc1cccc(OCC[NH2+]C2CCCC2)c1C ZINC000002845067 179168442 /nfs/dbraw/zinc/16/84/42/179168442.db2.gz PCILJLDKKNGWEM-UHFFFAOYSA-N 1 0 233.355 3.214 50 0 BGAARO Fc1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002845104 342727274 /nfs/dbraw/zinc/72/72/74/342727274.db2.gz QUSRIQJVMXFYQF-UHFFFAOYSA-N 1 0 237.318 3.127 50 0 BGAARO C[NH2+]CCOc1cccc(Oc2ccccc2)c1 ZINC000002845143 173357800 /nfs/dbraw/zinc/35/78/00/173357800.db2.gz ZHFCBQAHNGTIAW-UHFFFAOYSA-N 1 0 243.306 3.077 50 0 BGAARO c1cc(OCC[NH2+]C2CCCC2)cc2c1CCC2 ZINC000002845176 183370542 /nfs/dbraw/zinc/37/05/42/183370542.db2.gz XJXOHLMKWJBOCF-UHFFFAOYSA-N 1 0 245.366 3.086 50 0 BGAARO C[NH2+]CCCOc1ccc2ccccc2c1Cl ZINC000002845261 173349688 /nfs/dbraw/zinc/34/96/88/173349688.db2.gz WRLLLWMMGNRVDF-UHFFFAOYSA-N 1 0 249.741 3.482 50 0 BGAARO C[NH2+]CCOc1ccc(C(C)(C)C)cc1Cl ZINC000002845399 173357673 /nfs/dbraw/zinc/35/76/73/173357673.db2.gz USZYZFNEVOVBAG-UHFFFAOYSA-N 1 0 241.762 3.236 50 0 BGAARO CCCCN1c2cc(C)c(C)cc2N2CC[NH+]=C12 ZINC000002847355 383990569 /nfs/dbraw/zinc/99/05/69/383990569.db2.gz LZYKGTQGQNWPHK-UHFFFAOYSA-N 1 0 243.354 3.100 50 0 BGAARO CC[NH+](CC)CCCOc1ccccc1C ZINC000002848621 346536087 /nfs/dbraw/zinc/53/60/87/346536087.db2.gz PVPYSZHAYDNLPL-UHFFFAOYSA-N 1 0 221.344 3.106 50 0 BGAARO COc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000002885301 175105688 /nfs/dbraw/zinc/10/56/88/175105688.db2.gz PCBPDEHTFUGNNP-UHFFFAOYSA-N 1 0 227.735 3.237 50 0 BGAARO CC[NH+](CC)CCCOc1cccc(Cl)c1 ZINC000002885660 347518820 /nfs/dbraw/zinc/51/88/20/347518820.db2.gz LOVZUALCXNWVLS-UHFFFAOYSA-N 1 0 241.762 3.451 50 0 BGAARO CCCOc1ccc(C[NH+](C)C)cc1Cl ZINC000002886584 169318260 /nfs/dbraw/zinc/31/82/60/169318260.db2.gz FBXZUKLYZGHYIF-UHFFFAOYSA-N 1 0 227.735 3.190 50 0 BGAARO CCCOc1ccccc1C[NH2+]C(C)(C)C ZINC000002887316 169327057 /nfs/dbraw/zinc/32/70/57/169327057.db2.gz WVYBCWFPXDVWLL-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC[NH+](CC)CCCOc1cc(C)cc(C)c1 ZINC000002894832 528114107 /nfs/dbraw/zinc/11/41/07/528114107.db2.gz XJYMNJRPFNCESI-UHFFFAOYSA-N 1 0 235.371 3.414 50 0 BGAARO CC[NH+](CC)CCCOc1cc(C)ccc1C ZINC000002896637 347518846 /nfs/dbraw/zinc/51/88/46/347518846.db2.gz SQHVNWNPPLHIOA-UHFFFAOYSA-N 1 0 235.371 3.414 50 0 BGAARO CCCCN(C)Cc1c(F)cccc1F ZINC000002897638 342727794 /nfs/dbraw/zinc/72/77/94/342727794.db2.gz LLHIPXHTWQWGCP-UHFFFAOYSA-N 1 0 213.271 3.197 50 0 BGAARO CC(C)(C)[NH2+]CCCCOc1ccccc1F ZINC000002897692 342727842 /nfs/dbraw/zinc/72/78/42/342727842.db2.gz ZUWLHLMEZNEWFZ-UHFFFAOYSA-N 1 0 239.334 3.373 50 0 BGAARO Cc1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000002898070 187246212 /nfs/dbraw/zinc/24/62/12/187246212.db2.gz HXKYHQIGGWZIQX-UHFFFAOYSA-N 1 0 221.344 3.152 50 0 BGAARO Cc1cccc(C)c1OCCC[NH2+]C(C)(C)C ZINC000002898128 179046859 /nfs/dbraw/zinc/04/68/59/179046859.db2.gz GHOGJQBNVZWHPY-UHFFFAOYSA-N 1 0 235.371 3.460 50 0 BGAARO Cc1cccc(OCCC[NH2+]C(C)(C)C)c1C ZINC000002898300 179164222 /nfs/dbraw/zinc/16/42/22/179164222.db2.gz WTHSFRHVQPYNLR-UHFFFAOYSA-N 1 0 235.371 3.460 50 0 BGAARO CCCC[NH2+]CCCOc1c(C)cccc1C ZINC000002898527 168867215 /nfs/dbraw/zinc/86/72/15/168867215.db2.gz NVPRCNAKLUSQJU-UHFFFAOYSA-N 1 0 235.371 3.462 50 0 BGAARO CCCC[NH2+]CCCOc1ccccc1Cl ZINC000002898659 386062296 /nfs/dbraw/zinc/06/22/96/386062296.db2.gz XAOVBNVQDJRUPZ-UHFFFAOYSA-N 1 0 241.762 3.499 50 0 BGAARO Cc1cc(C)cc(OCCC[NH2+]C(C)(C)C)c1 ZINC000002900122 631957031 /nfs/dbraw/zinc/95/70/31/631957031.db2.gz FHHVIZBMEKEYCV-UHFFFAOYSA-N 1 0 235.371 3.460 50 0 BGAARO CCCC[NH2+]CCCCOc1ccccc1 ZINC000002900305 346538593 /nfs/dbraw/zinc/53/85/93/346538593.db2.gz MYQAURDYZDFDDI-UHFFFAOYSA-N 1 0 221.344 3.235 50 0 BGAARO CCCC[NH2+]CCCOc1cccc(C)c1C ZINC000002900424 136207922 /nfs/dbraw/zinc/20/79/22/136207922.db2.gz YTFUYHWXIXJPKM-UHFFFAOYSA-N 1 0 235.371 3.462 50 0 BGAARO CCCC[NH2+]CCCCOc1ccc(F)cc1 ZINC000002900491 136207866 /nfs/dbraw/zinc/20/78/66/136207866.db2.gz JTOBUFBJSBVNAF-UHFFFAOYSA-N 1 0 239.334 3.374 50 0 BGAARO CCCC[NH2+]CCCOc1cccc(C)c1 ZINC000002900863 383993357 /nfs/dbraw/zinc/99/33/57/383993357.db2.gz QSWYKULKTMYAQH-UHFFFAOYSA-N 1 0 221.344 3.154 50 0 BGAARO CCCC[NH2+]CCCOc1ccc(C)cc1 ZINC000002900904 384682383 /nfs/dbraw/zinc/68/23/83/384682383.db2.gz KUMBRMHTEZMZFP-UHFFFAOYSA-N 1 0 221.344 3.154 50 0 BGAARO CCc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000002900995 187246117 /nfs/dbraw/zinc/24/61/17/187246117.db2.gz QFIBBWHTCOWEHS-UHFFFAOYSA-N 1 0 233.355 3.114 50 0 BGAARO CC(C)(C)[NH2+]CCCOc1ccccc1Cl ZINC000002901485 342727790 /nfs/dbraw/zinc/72/77/90/342727790.db2.gz UPDRUSWCMUSBGA-UHFFFAOYSA-N 1 0 241.762 3.497 50 0 BGAARO CCc1ccccc1OCCC[NH2+]C(C)(C)C ZINC000002901581 384991668 /nfs/dbraw/zinc/99/16/68/384991668.db2.gz WWFBQKSEJXCWBT-UHFFFAOYSA-N 1 0 235.371 3.406 50 0 BGAARO Cc1ccc(OCCC[NH2+]C(C)(C)C)cc1C ZINC000002901593 187245816 /nfs/dbraw/zinc/24/58/16/187245816.db2.gz BDQXPEPVHMAHAV-UHFFFAOYSA-N 1 0 235.371 3.460 50 0 BGAARO CC(C)(C)[NH2+]CCCOc1ccc(Cl)cc1 ZINC000002901657 342727856 /nfs/dbraw/zinc/72/78/56/342727856.db2.gz FKKGOUXJCMBJQJ-UHFFFAOYSA-N 1 0 241.762 3.497 50 0 BGAARO CCCC[NH2+]CCCOc1ccc(C)cc1C ZINC000002901789 136207645 /nfs/dbraw/zinc/20/76/45/136207645.db2.gz GMCMESODUPPJPR-UHFFFAOYSA-N 1 0 235.371 3.462 50 0 BGAARO CCCC[NH2+]CCCOc1cc(C)ccc1C ZINC000002901811 136207925 /nfs/dbraw/zinc/20/79/25/136207925.db2.gz BDCPZKZZINWZJO-UHFFFAOYSA-N 1 0 235.371 3.462 50 0 BGAARO Fc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002902673 180979799 /nfs/dbraw/zinc/97/97/99/180979799.db2.gz LXTKAXPZXFIXLK-UHFFFAOYSA-N 1 0 237.318 3.081 50 0 BGAARO Cc1cccc(OCCC[NH2+]C(C)(C)C)c1 ZINC000002902726 179164654 /nfs/dbraw/zinc/16/46/54/179164654.db2.gz JRJOLNOQQQRSDE-UHFFFAOYSA-N 1 0 221.344 3.152 50 0 BGAARO CC(C)(C)[NH2+]CCCOc1cccc(Cl)c1 ZINC000002902826 343139303 /nfs/dbraw/zinc/13/93/03/343139303.db2.gz RYWJFTUDILKRPG-UHFFFAOYSA-N 1 0 241.762 3.497 50 0 BGAARO CCCC[NH2+]CCCOc1cccc(Cl)c1 ZINC000002903104 385285799 /nfs/dbraw/zinc/28/57/99/385285799.db2.gz WHHOEMWVORQSAZ-UHFFFAOYSA-N 1 0 241.762 3.499 50 0 BGAARO CCCC[NH2+]CCCOc1ccccc1CC ZINC000002903164 383993550 /nfs/dbraw/zinc/99/35/50/383993550.db2.gz XQGSFSIGLWMSBG-UHFFFAOYSA-N 1 0 235.371 3.408 50 0 BGAARO CCCC[NH2+]CCCOc1ccccc1C ZINC000002903186 631963645 /nfs/dbraw/zinc/96/36/45/631963645.db2.gz ABKXZEXXEAYJRG-UHFFFAOYSA-N 1 0 221.344 3.154 50 0 BGAARO Cc1ccccc1OCCC[NH2+]C(C)(C)C ZINC000002903239 179309209 /nfs/dbraw/zinc/30/92/09/179309209.db2.gz FNVWOXHUDLVNQA-UHFFFAOYSA-N 1 0 221.344 3.152 50 0 BGAARO CCCC[NH2+]CCCCOc1ccccc1F ZINC000002903247 168867343 /nfs/dbraw/zinc/86/73/43/168867343.db2.gz KVTAKQSQWPVAGF-UHFFFAOYSA-N 1 0 239.334 3.374 50 0 BGAARO CCCC[NH2+]CCCOc1cc(C)cc(C)c1 ZINC000002903426 383993858 /nfs/dbraw/zinc/99/38/58/383993858.db2.gz FSBINGXPUBYXQF-UHFFFAOYSA-N 1 0 235.371 3.462 50 0 BGAARO Cc1ccc(C)c(OCCC[NH2+]C(C)(C)C)c1 ZINC000002904093 383992238 /nfs/dbraw/zinc/99/22/38/383992238.db2.gz SUURLRIHXQTWQA-UHFFFAOYSA-N 1 0 235.371 3.460 50 0 BGAARO CC[N+]1=C(C)C(C)(C)c2cc(C)ccc21 ZINC000002910725 371701611 /nfs/dbraw/zinc/70/16/11/371701611.db2.gz WUWKQZABOJJLQC-UHFFFAOYSA-N 1 0 202.321 3.411 50 0 BGAARO CCc1ccc(OCC[NH2+]C(C)(C)C)cc1 ZINC000002930937 383993788 /nfs/dbraw/zinc/99/37/88/383993788.db2.gz SXEALRYVJDSJCL-UHFFFAOYSA-N 1 0 221.344 3.016 50 0 BGAARO CCCC[NH2+]CCOc1ccc(C)c(C)c1 ZINC000002930947 168866781 /nfs/dbraw/zinc/86/67/81/168866781.db2.gz IQUSSYACPVWAQS-UHFFFAOYSA-N 1 0 221.344 3.072 50 0 BGAARO Cc1ccc(OCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000002931016 178812303 /nfs/dbraw/zinc/81/23/03/178812303.db2.gz HFUKFFXDKPGKBC-UHFFFAOYSA-N 1 0 241.762 3.415 50 0 BGAARO CCc1ccccc1OCC[NH2+]C(C)(C)C ZINC000002931039 383994054 /nfs/dbraw/zinc/99/40/54/383994054.db2.gz RZTFXDKCIWCBKL-UHFFFAOYSA-N 1 0 221.344 3.016 50 0 BGAARO CC(C)(C)[NH2+]CCOc1cccc(Cl)c1 ZINC000002931281 166631532 /nfs/dbraw/zinc/63/15/32/166631532.db2.gz BQCSPHIPQWJIIS-UHFFFAOYSA-N 1 0 227.735 3.107 50 0 BGAARO CCCC[NH2+]CCOc1ccccc1CC ZINC000002931282 383993836 /nfs/dbraw/zinc/99/38/36/383993836.db2.gz VKALLMPJVAPYAH-UHFFFAOYSA-N 1 0 221.344 3.018 50 0 BGAARO Cc1cc(Cl)ccc1OCC[NH2+]C(C)(C)C ZINC000002931290 178068927 /nfs/dbraw/zinc/06/89/27/178068927.db2.gz HKBVQUKDLTVEPS-UHFFFAOYSA-N 1 0 241.762 3.415 50 0 BGAARO CCCC[NH2+]CCOc1cc(C)ccc1C ZINC000002931723 168866801 /nfs/dbraw/zinc/86/68/01/168866801.db2.gz MYUPGADJNIIIFE-UHFFFAOYSA-N 1 0 221.344 3.072 50 0 BGAARO CC(C)(C)[NH2+]CCOc1ccccc1Cl ZINC000002931741 342728340 /nfs/dbraw/zinc/72/83/40/342728340.db2.gz BLEWVQXCYMEPFS-UHFFFAOYSA-N 1 0 227.735 3.107 50 0 BGAARO Cc1cc(C)c(C)c(OCC[NH2+]C(C)(C)C)c1 ZINC000002931791 177853796 /nfs/dbraw/zinc/85/37/96/177853796.db2.gz UHQJTURVQAGYAA-UHFFFAOYSA-N 1 0 235.371 3.379 50 0 BGAARO Cc1ccc(C)c(OCC[NH2+]C(C)(C)C)c1 ZINC000002931978 383992058 /nfs/dbraw/zinc/99/20/58/383992058.db2.gz NLSFQWLBJWFEOM-UHFFFAOYSA-N 1 0 221.344 3.070 50 0 BGAARO Cc1cccc(C)c1OCC[NH2+]C(C)(C)C ZINC000002931980 179046506 /nfs/dbraw/zinc/04/65/06/179046506.db2.gz NWYBHNHZWOCONY-UHFFFAOYSA-N 1 0 221.344 3.070 50 0 BGAARO CCCC[NH2+]CCOc1ccc(CC)cc1 ZINC000002932165 383992313 /nfs/dbraw/zinc/99/23/13/383992313.db2.gz OSFPAYTZJBHUIN-UHFFFAOYSA-N 1 0 221.344 3.018 50 0 BGAARO CCCC[NH2+]CCOc1ccc(C)cc1C ZINC000002932213 383994225 /nfs/dbraw/zinc/99/42/25/383994225.db2.gz DBASKEXELMKOIU-UHFFFAOYSA-N 1 0 221.344 3.072 50 0 BGAARO CCCC[NH2+]CCOc1c(C)ccc(C)c1C ZINC000002932244 168866680 /nfs/dbraw/zinc/86/66/80/168866680.db2.gz TWPGIUVQWLVQFW-UHFFFAOYSA-N 1 0 235.371 3.380 50 0 BGAARO Cc1ccc(C)c(OCCC[NH+]2CCCC2)c1C ZINC000002932547 631987639 /nfs/dbraw/zinc/98/76/39/631987639.db2.gz FXMDWHVTCLGBSF-UHFFFAOYSA-N 1 0 247.382 3.477 50 0 BGAARO CC(C)(C)[NH2+]CCOc1ccc(Cl)cc1 ZINC000002932593 342728291 /nfs/dbraw/zinc/72/82/91/342728291.db2.gz MXTXCMQOGSJCIR-UHFFFAOYSA-N 1 0 227.735 3.107 50 0 BGAARO CCc1ccccc1OCCC[NH+]1CCCC1 ZINC000002932806 383993887 /nfs/dbraw/zinc/99/38/87/383993887.db2.gz JQNIYYUOYGSFGJ-UHFFFAOYSA-N 1 0 233.355 3.114 50 0 BGAARO CCCC[NH2+]CCOc1ccc(Cl)cc1 ZINC000002933086 383994160 /nfs/dbraw/zinc/99/41/60/383994160.db2.gz ZSCNKOHVCKTDRS-UHFFFAOYSA-N 1 0 227.735 3.109 50 0 BGAARO CCc1ccccc1OCCC[NH+](CC)CC ZINC000002933126 383993938 /nfs/dbraw/zinc/99/39/38/383993938.db2.gz IRXFDDHIYXAXLH-UHFFFAOYSA-N 1 0 235.371 3.360 50 0 BGAARO Cc1cccc(Cl)c1OCC[NH2+]C(C)(C)C ZINC000002933221 179107361 /nfs/dbraw/zinc/10/73/61/179107361.db2.gz FZMXBPSPYUFYEF-UHFFFAOYSA-N 1 0 241.762 3.415 50 0 BGAARO Cc1ccc(OCC[NH2+]C(C)(C)C)cc1C ZINC000002933386 178812862 /nfs/dbraw/zinc/81/28/62/178812862.db2.gz BMRRNUNFXVGJJH-UHFFFAOYSA-N 1 0 221.344 3.070 50 0 BGAARO CCCC[NH2+]CCOc1ccc(C)cc1Cl ZINC000002933405 383993976 /nfs/dbraw/zinc/99/39/76/383993976.db2.gz FWPORLOVAAAOQM-UHFFFAOYSA-N 1 0 241.762 3.417 50 0 BGAARO Cc1ccc(Cl)c(OCC[NH2+]C(C)(C)C)c1 ZINC000002933457 178657700 /nfs/dbraw/zinc/65/77/00/178657700.db2.gz YHBJSFJBXFWMFG-UHFFFAOYSA-N 1 0 241.762 3.415 50 0 BGAARO CCCC[NH2+]CCOc1cccc(CC)c1 ZINC000003000548 383997035 /nfs/dbraw/zinc/99/70/35/383997035.db2.gz QROSTMOOWFHKLZ-UHFFFAOYSA-N 1 0 221.344 3.018 50 0 BGAARO Cc1ccc(C(C)C)cc1OCC[NH2+]C(C)C ZINC000003001195 632044386 /nfs/dbraw/zinc/04/43/86/632044386.db2.gz ATOCGVOJKDLGFH-UHFFFAOYSA-N 1 0 235.371 3.495 50 0 BGAARO CCc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000003003462 383997697 /nfs/dbraw/zinc/99/76/97/383997697.db2.gz GABMLRUWGZTXFH-UHFFFAOYSA-N 1 0 233.355 3.114 50 0 BGAARO CCCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000003003856 342729276 /nfs/dbraw/zinc/72/92/76/342729276.db2.gz HPOJPGGBPBXFSR-UHFFFAOYSA-N 1 0 241.762 3.451 50 0 BGAARO CCc1cccc(OCCC[NH2+]C(C)(C)C)c1 ZINC000003003875 171864371 /nfs/dbraw/zinc/86/43/71/171864371.db2.gz GNAXARPQGTWZMJ-UHFFFAOYSA-N 1 0 235.371 3.406 50 0 BGAARO C[C@]([NH3+])(Cc1ccccc1)c1ccccc1 ZINC000003031437 383996602 /nfs/dbraw/zinc/99/66/02/383996602.db2.gz JINQHBRSXWQJAZ-HNNXBMFYSA-N 1 0 211.308 3.103 50 0 BGAARO C[C@H]1CC(C)(C)[NH+]=C(NCc2ccccc2)S1 ZINC000003056465 371859019 /nfs/dbraw/zinc/85/90/19/371859019.db2.gz HQWMCPWZGZUHLU-NSHDSACASA-N 1 0 248.395 3.436 50 0 BGAARO C[C@@H]1CC(C)(C)[NH+]=C(NCc2ccccc2)S1 ZINC000003056467 371859078 /nfs/dbraw/zinc/85/90/78/371859078.db2.gz HQWMCPWZGZUHLU-LLVKDONJSA-N 1 0 248.395 3.436 50 0 BGAARO Clc1ccc(C[NH+]2CCCCC2)cc1 ZINC000003058557 342729978 /nfs/dbraw/zinc/72/99/78/342729978.db2.gz DCEXCMVFRCTUOL-UHFFFAOYSA-N 1 0 209.720 3.326 50 0 BGAARO C[C@H]1CC[C@H]2C3=C(CCCC3)CC[N@@H+]2C1 ZINC000003066438 177207614 /nfs/dbraw/zinc/20/76/14/177207614.db2.gz YOWPHHCBRMTILZ-FZMZJTMJSA-N 1 0 205.345 3.361 50 0 BGAARO C[NH+](C)C1(c2ccccc2)CCCCC1 ZINC000003075600 388839409 /nfs/dbraw/zinc/83/94/09/388839409.db2.gz FQPQJXVSQZUUQU-UHFFFAOYSA-N 1 0 203.329 3.408 50 0 BGAARO c1ccc(-[n+]2cccc3ccccc32)cc1 ZINC000003091445 183378461 /nfs/dbraw/zinc/37/84/61/183378461.db2.gz OAYVLSROVHAHCM-UHFFFAOYSA-N 1 0 206.268 3.117 50 0 BGAARO C[C@@H]1/C(=C\c2ccco2)C[C@H](C)C[N@@H+]1C ZINC000003093385 177060925 /nfs/dbraw/zinc/06/09/25/177060925.db2.gz ZVFSUINMTCQBSE-JNBVNVQXSA-N 1 0 205.301 3.023 50 0 BGAARO C[n+]1c(C(C)(C)C)cccc1C(C)(C)C ZINC000003107512 187246077 /nfs/dbraw/zinc/24/60/77/187246077.db2.gz DJILDQHYELMRDU-UHFFFAOYSA-N 1 0 206.353 3.106 50 0 BGAARO Clc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000003110261 347534084 /nfs/dbraw/zinc/53/40/84/347534084.db2.gz ZGQLABMXCVAVBY-UHFFFAOYSA-N 1 0 239.746 3.205 50 0 BGAARO CCCCc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000003119082 169018912 /nfs/dbraw/zinc/01/89/12/169018912.db2.gz KDYXMRKKCLXREV-UHFFFAOYSA-N 1 0 233.355 3.164 50 0 BGAARO CCc1ccc(C)[n+](CCc2ccccc2)c1 ZINC000003124368 363350393 /nfs/dbraw/zinc/35/03/93/363350393.db2.gz LCKSKQOXGWLLDJ-UHFFFAOYSA-N 1 0 226.343 3.088 50 0 BGAARO CCCC[C@H](CC)C[NH2+]Cc1ccccn1 ZINC000003127707 168998850 /nfs/dbraw/zinc/99/88/50/168998850.db2.gz NXQKSYDDMDZBNG-ZDUSSCGKSA-N 1 0 220.360 3.388 50 0 BGAARO CCCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000003138547 188101024 /nfs/dbraw/zinc/10/10/24/188101024.db2.gz KTLNULDALWGMKW-UHFFFAOYSA-N 1 0 247.382 3.204 50 0 BGAARO CCCCCSCn1c(N)[nH+]c2ccccc21 ZINC000003158759 346668883 /nfs/dbraw/zinc/66/88/83/346668883.db2.gz HKGAYCGNLOYPQN-UHFFFAOYSA-N 1 0 249.383 3.499 50 0 BGAARO CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000003159994 170128835 /nfs/dbraw/zinc/12/88/35/170128835.db2.gz SCOWKNXYFQEIPG-UHFFFAOYSA-N 1 0 241.334 3.375 50 0 BGAARO CN1c2ccccc2C2(CCCCC2)C1=[NH2+] ZINC000003162406 346872147 /nfs/dbraw/zinc/87/21/47/346872147.db2.gz WCFPVXRCEYCFMQ-UHFFFAOYSA-N 1 0 214.312 3.316 50 0 BGAARO CCN(CC)C(=[NH2+])c1ccc(Cl)cc1 ZINC000003163579 347658430 /nfs/dbraw/zinc/65/84/30/347658430.db2.gz IBKVBPBACKQYPE-UHFFFAOYSA-N 1 0 210.708 3.007 50 0 BGAARO Cc1ccc2c(c1)c1c3n2C=[NH+]C[C@H]3CCC1 ZINC000003165872 342731176 /nfs/dbraw/zinc/73/11/76/342731176.db2.gz KZTHWNZVYOEEIE-LLVKDONJSA-N 1 0 224.307 3.260 50 0 BGAARO Cc1ccc2c(c1)c1c3n2C=[NH+]C[C@@H]3CCC1 ZINC000003165873 342731077 /nfs/dbraw/zinc/73/10/77/342731077.db2.gz KZTHWNZVYOEEIE-NSHDSACASA-N 1 0 224.307 3.260 50 0 BGAARO Cc1cc[n+](-c2ccccc2)c2ccccc12 ZINC000003167858 178308523 /nfs/dbraw/zinc/30/85/23/178308523.db2.gz KZIWZOOEBFXZHH-UHFFFAOYSA-N 1 0 220.295 3.425 50 0 BGAARO FC(F)(F)CC[n+]1cccc2ccccc21 ZINC000003168162 410203045 /nfs/dbraw/zinc/20/30/45/410203045.db2.gz XKFCPFWBUUBYDL-UHFFFAOYSA-N 1 0 226.221 3.080 50 0 BGAARO CCCCC[n+]1cccc2ccccc21 ZINC000003168168 342731206 /nfs/dbraw/zinc/73/12/06/342731206.db2.gz PJECZBJZHZTIEA-UHFFFAOYSA-N 1 0 200.305 3.318 50 0 BGAARO COc1cccc(NC2=[NH+]CCCCC2)c1 ZINC000003170177 175278189 /nfs/dbraw/zinc/27/81/89/175278189.db2.gz ASLXWGDYFXXKLG-UHFFFAOYSA-N 1 0 218.300 3.080 50 0 BGAARO CC[n+]1c(C)sc2cc(Cl)ccc21 ZINC000003176953 188332295 /nfs/dbraw/zinc/33/22/95/188332295.db2.gz XJBGHZUJIIFMIP-UHFFFAOYSA-N 1 0 212.725 3.171 50 0 BGAARO CC[N+](CC)=C1C=C(N2CCCC2)CC(C)(C)C1 ZINC000003181395 371904264 /nfs/dbraw/zinc/90/42/64/371904264.db2.gz GYEAWEXUZSBOFM-UHFFFAOYSA-N 1 0 249.422 3.279 50 0 BGAARO c1cnc2c(c1)cccc2C[NH+]1CCCCC1 ZINC000003181436 183484450 /nfs/dbraw/zinc/48/44/50/183484450.db2.gz LCJHZLPOIVVVMT-UHFFFAOYSA-N 1 0 226.323 3.221 50 0 BGAARO Cc1ccccc1[C@@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000003185080 537956618 /nfs/dbraw/zinc/95/66/18/537956618.db2.gz XYUPEYRXKSKWTG-INIZCTEOSA-N 1 0 247.382 3.171 50 0 BGAARO Cc1ccccc1[C@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000003185081 537956693 /nfs/dbraw/zinc/95/66/93/537956693.db2.gz XYUPEYRXKSKWTG-MRXNPFEDSA-N 1 0 247.382 3.171 50 0 BGAARO Cc1n(C)c2ccccc2[n+]1-c1ccccc1C ZINC000003185876 179234476 /nfs/dbraw/zinc/23/44/76/179234476.db2.gz PRJRARQCZSKRLN-UHFFFAOYSA-N 1 0 237.326 3.072 50 0 BGAARO CC[NH+](CC)Cc1cccc2cccnc21 ZINC000003189923 371905297 /nfs/dbraw/zinc/90/52/97/371905297.db2.gz HZPLVCJPJINTGM-UHFFFAOYSA-N 1 0 214.312 3.077 50 0 BGAARO CC(C)(C)c1cc(N)c2ccccc2[nH+]1 ZINC000003202617 351999059 /nfs/dbraw/zinc/99/90/59/351999059.db2.gz HEJQKYWPZHNEOV-UHFFFAOYSA-N 1 0 200.285 3.115 50 0 BGAARO c1sc2[n+](c1-c1ccccc1)CCCCC2 ZINC000003203761 183381789 /nfs/dbraw/zinc/38/17/89/183381789.db2.gz IGHUCKRGEDBWJK-UHFFFAOYSA-N 1 0 230.356 3.429 50 0 BGAARO C[C@@H]1CCCC[C@H]1NC1=[NH+]C(C)(C)CS1 ZINC000003259396 176087821 /nfs/dbraw/zinc/08/78/21/176087821.db2.gz MTTASESOWMUBMJ-NXEZZACHSA-N 1 0 226.389 3.036 50 0 BGAARO C[C@@H]1CCCC[C@@H]1NC1=[NH+]C(C)(C)CS1 ZINC000003259399 176081109 /nfs/dbraw/zinc/08/11/09/176081109.db2.gz MTTASESOWMUBMJ-ZJUUUORDSA-N 1 0 226.389 3.036 50 0 BGAARO CC[C@@H]1CSC(Nc2ccccc2C)=N1 ZINC000003268497 171114852 /nfs/dbraw/zinc/11/48/52/171114852.db2.gz FNVQIBCUAKXTQS-SNVBAGLBSA-N 1 0 220.341 3.288 50 0 BGAARO C[C@H](NCC(=O)c1cccs1)c1ccccc1 ZINC000003268733 388370840 /nfs/dbraw/zinc/37/08/40/388370840.db2.gz FMQHPYQNLYHRBH-NSHDSACASA-N 1 0 245.347 3.282 50 0 BGAARO C[C@@H](NCC(=O)c1cccs1)c1ccccc1 ZINC000003268735 388370427 /nfs/dbraw/zinc/37/04/27/388370427.db2.gz FMQHPYQNLYHRBH-LLVKDONJSA-N 1 0 245.347 3.282 50 0 BGAARO CC[C@@H]1CSC(Nc2cccc(C)c2)=N1 ZINC000003289261 171113373 /nfs/dbraw/zinc/11/33/73/171113373.db2.gz RAEVCTCSJDXTPE-SNVBAGLBSA-N 1 0 220.341 3.288 50 0 BGAARO CC[N@H+](CC(=O)c1ccco1)C1CCCCC1 ZINC000003306816 371949770 /nfs/dbraw/zinc/94/97/70/371949770.db2.gz YFVVFUFCTKPEIH-UHFFFAOYSA-N 1 0 235.327 3.117 50 0 BGAARO [NH3+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000003356980 384004802 /nfs/dbraw/zinc/00/48/02/384004802.db2.gz DNFUQWUUNLYWSL-UHFFFAOYSA-N 1 0 207.660 3.059 50 0 BGAARO CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000003378564 170127768 /nfs/dbraw/zinc/12/77/68/170127768.db2.gz KMTWOQMCJLOVSS-UHFFFAOYSA-N 1 0 241.334 3.375 50 0 BGAARO CCCOc1ccc([C@@H](C)[NH3+])cc1OCCC ZINC000003444692 169321091 /nfs/dbraw/zinc/32/10/91/169321091.db2.gz LBRQOEWXHJCCRA-LLVKDONJSA-N 1 0 237.343 3.284 50 0 BGAARO CCCOc1ccc([C@H](C)[NH3+])cc1OCCC ZINC000003444695 169321360 /nfs/dbraw/zinc/32/13/60/169321360.db2.gz LBRQOEWXHJCCRA-NSHDSACASA-N 1 0 237.343 3.284 50 0 BGAARO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000003491369 173388366 /nfs/dbraw/zinc/38/83/66/173388366.db2.gz BYMWBJBTSONWMH-UHFFFAOYSA-N 1 0 221.687 3.319 50 0 BGAARO CC(C)(c1ccccc1)[NH+]1CCCCC1 ZINC000003619859 187927961 /nfs/dbraw/zinc/92/79/61/187927961.db2.gz HORGQLWAZQOQNU-UHFFFAOYSA-N 1 0 203.329 3.408 50 0 in-vitro BGAARO [NH3+]C1c2ccccc2C=Cc2ccccc21 ZINC000003624633 181346406 /nfs/dbraw/zinc/34/64/06/181346406.db2.gz HKLYXHWNPAGMMW-UHFFFAOYSA-N 1 0 207.276 3.219 50 0 BGAARO CCC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000003631332 169209425 /nfs/dbraw/zinc/20/94/25/169209425.db2.gz ZWANGODHJGISHB-LLVKDONJSA-N 1 0 228.339 3.497 50 0 BGAARO CC(C)(C(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000003635394 342735435 /nfs/dbraw/zinc/73/54/35/342735435.db2.gz GCSDBSRRPSYHQU-UHFFFAOYSA-N 1 0 231.339 3.134 50 0 BGAARO CCC[C@@]1(c2cccc(OC)c2)C[C@@H](C)[N@H+](C)C1 ZINC000003640416 384022669 /nfs/dbraw/zinc/02/26/69/384022669.db2.gz FQHBZOZTHKHSBP-CZUORRHYSA-N 1 0 247.382 3.457 50 0 BGAARO CC(C)[NH2+][C@@H](C)C(=O)c1ccc2c(c1)CCCC2 ZINC000003680592 167129142 /nfs/dbraw/zinc/12/91/42/167129142.db2.gz NIKRIWIMZPNPQP-LBPRGKRZSA-N 1 0 245.366 3.135 50 0 BGAARO CC(C)[NH2+][C@H](C)C(=O)c1ccc2c(c1)CCCC2 ZINC000003680593 167138516 /nfs/dbraw/zinc/13/85/16/167138516.db2.gz NIKRIWIMZPNPQP-GFCCVEGCSA-N 1 0 245.366 3.135 50 0 BGAARO CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000003680932 384021096 /nfs/dbraw/zinc/02/10/96/384021096.db2.gz DUVCPZKQVRGBMO-LSDHHAIUSA-N 1 0 239.403 3.216 50 0 BGAARO CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@H](O)C1 ZINC000003680934 384021146 /nfs/dbraw/zinc/02/11/46/384021146.db2.gz DUVCPZKQVRGBMO-GJZGRUSLSA-N 1 0 239.403 3.216 50 0 BGAARO C[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CC=CCC1 ZINC000003681009 388500337 /nfs/dbraw/zinc/50/03/37/388500337.db2.gz XTEFZUUUYVDILA-GOEBONIOSA-N 1 0 245.366 3.008 50 0 BGAARO c1cncc(C[NH2+]C2CCCCCCC2)c1 ZINC000003683463 183492165 /nfs/dbraw/zinc/49/21/65/183492165.db2.gz CKRJCPUPWKBCRV-UHFFFAOYSA-N 1 0 218.344 3.284 50 0 BGAARO CC(C)(C)C1CCC([NH+]2CCC(O)CC2)CC1 ZINC000003683536 166543980 /nfs/dbraw/zinc/54/39/80/166543980.db2.gz GAEOEISWYAJVPH-UHFFFAOYSA-N 1 0 239.403 3.048 50 0 BGAARO CC1(C)C=C(c2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000003683707 384023410 /nfs/dbraw/zinc/02/34/10/384023410.db2.gz OMZWFKGBMAAUGV-UHFFFAOYSA-N 1 0 231.339 3.326 50 0 BGAARO CCCC[C@@H]1C[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000003684219 343272907 /nfs/dbraw/zinc/27/29/07/343272907.db2.gz QSWUHCIUQIOCAM-HZPDHXFCSA-N 1 0 247.382 3.016 50 0 BGAARO C[C@H](C[NH+]1CCC(C)CC1)C(=O)c1ccccc1 ZINC000003684426 168182880 /nfs/dbraw/zinc/18/28/80/168182880.db2.gz WCUNKLPJSIFWCQ-CQSZACIVSA-N 1 0 245.366 3.237 50 0 BGAARO C[C@@H](C[NH+]1CCC(C)CC1)C(=O)c1ccccc1 ZINC000003684427 168183258 /nfs/dbraw/zinc/18/32/58/168183258.db2.gz WCUNKLPJSIFWCQ-AWEZNQCLSA-N 1 0 245.366 3.237 50 0 BGAARO C[C@@H]1C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000003704273 342736552 /nfs/dbraw/zinc/73/65/52/342736552.db2.gz PQNWKBAYDBUQAL-KWQFWETISA-N 1 0 229.245 3.376 50 0 BGAARO C[C@H]1C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000003704274 384023237 /nfs/dbraw/zinc/02/32/37/384023237.db2.gz PQNWKBAYDBUQAL-KCJUWKMLSA-N 1 0 229.245 3.376 50 0 BGAARO C[C@@H]1C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000003704275 176330860 /nfs/dbraw/zinc/33/08/60/176330860.db2.gz PQNWKBAYDBUQAL-GZMMTYOYSA-N 1 0 229.245 3.376 50 0 BGAARO C[C@H]1C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000003704276 384022907 /nfs/dbraw/zinc/02/29/07/384022907.db2.gz PQNWKBAYDBUQAL-LDYMZIIASA-N 1 0 229.245 3.376 50 0 BGAARO C[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000003705526 342736958 /nfs/dbraw/zinc/73/69/58/342736958.db2.gz QMDCQFSPDUEVRF-LBPRGKRZSA-N 1 0 227.307 3.285 50 0 BGAARO C[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000003705527 384023338 /nfs/dbraw/zinc/02/33/38/384023338.db2.gz QMDCQFSPDUEVRF-GFCCVEGCSA-N 1 0 227.307 3.285 50 0 BGAARO C[C@@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000003705633 384027031 /nfs/dbraw/zinc/02/70/31/384027031.db2.gz KHMOVQVVIPNUFM-GFCCVEGCSA-N 1 0 227.307 3.285 50 0 BGAARO C[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000003705634 176777697 /nfs/dbraw/zinc/77/76/97/176777697.db2.gz JKNMXKXVOBRNTO-LBPRGKRZSA-N 1 0 227.307 3.285 50 0 BGAARO C[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000003705635 384026839 /nfs/dbraw/zinc/02/68/39/384026839.db2.gz JKNMXKXVOBRNTO-GFCCVEGCSA-N 1 0 227.307 3.285 50 0 BGAARO Cc1sc(C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000003709635 180557029 /nfs/dbraw/zinc/55/70/29/180557029.db2.gz YHMUQPIOJRKBPT-UHFFFAOYSA-N 1 0 238.743 3.231 50 0 BGAARO [NH3+]Cc1nc(-c2ccc3ccccc3c2)cs1 ZINC000003709644 384026348 /nfs/dbraw/zinc/02/63/48/384026348.db2.gz FPRFIRHKNQFWTF-UHFFFAOYSA-N 1 0 240.331 3.422 50 0 BGAARO CC(C)(C)c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000003732237 187928179 /nfs/dbraw/zinc/92/81/79/187928179.db2.gz JFBLTILAHRPXNP-CYBMUJFWSA-N 1 0 203.329 3.409 50 0 BGAARO Clc1cccc(Cl)c1[C@H]1CCC[NH2+]1 ZINC000003732284 342737207 /nfs/dbraw/zinc/73/72/07/342737207.db2.gz DVMVRBKARAKTQK-SECBINFHSA-N 1 0 216.111 3.418 50 0 BGAARO Clc1cccc(Cl)c1[C@@H]1CCC[NH2+]1 ZINC000003732285 342737166 /nfs/dbraw/zinc/73/71/66/342737166.db2.gz DVMVRBKARAKTQK-VIFPVBQESA-N 1 0 216.111 3.418 50 0 BGAARO c1ccc2c(c1)cccc2C[C@H]1CCC[NH2+]1 ZINC000003732314 183438810 /nfs/dbraw/zinc/43/88/10/183438810.db2.gz NXMHVSMJEUHOPT-CQSZACIVSA-N 1 0 211.308 3.134 50 0 BGAARO c1ccc2c(c1)cccc2C[C@@H]1CCC[NH2+]1 ZINC000003732315 384025785 /nfs/dbraw/zinc/02/57/85/384025785.db2.gz NXMHVSMJEUHOPT-AWEZNQCLSA-N 1 0 211.308 3.134 50 0 BGAARO Clc1ccc([C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000003732349 180585939 /nfs/dbraw/zinc/58/59/39/180585939.db2.gz WCTZJESQSBXRJL-SNVBAGLBSA-N 1 0 216.111 3.418 50 0 BGAARO Clc1ccc([C@H]2CCC[NH2+]2)cc1Cl ZINC000003732351 342737182 /nfs/dbraw/zinc/73/71/82/342737182.db2.gz LTITXVXGJJQFJC-SNVBAGLBSA-N 1 0 216.111 3.418 50 0 BGAARO FC(F)(F)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000003732370 384024776 /nfs/dbraw/zinc/02/47/76/384024776.db2.gz JLVNEMRUEAMGSZ-SNVBAGLBSA-N 1 0 215.218 3.130 50 0 BGAARO FC(F)(F)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000003732371 384026913 /nfs/dbraw/zinc/02/69/13/384026913.db2.gz JLVNEMRUEAMGSZ-JTQLQIEISA-N 1 0 215.218 3.130 50 0 BGAARO Clc1ccc(C[C@H]2CCC[NH2+]2)cc1Cl ZINC000003732400 342737129 /nfs/dbraw/zinc/73/71/29/342737129.db2.gz QDAOUERSYUOTTJ-SECBINFHSA-N 1 0 230.138 3.288 50 0 BGAARO Clc1ccc(C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000003732401 180580703 /nfs/dbraw/zinc/58/07/03/180580703.db2.gz QDAOUERSYUOTTJ-VIFPVBQESA-N 1 0 230.138 3.288 50 0 BGAARO FC(F)(F)c1ccccc1[C@H]1CCC[NH2+]1 ZINC000003732404 384025510 /nfs/dbraw/zinc/02/55/10/384025510.db2.gz DRQIUNNVQDIWJF-SNVBAGLBSA-N 1 0 215.218 3.130 50 0 BGAARO FC(F)(F)c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000003732405 384026263 /nfs/dbraw/zinc/02/62/63/384026263.db2.gz GSOGADJIIMVREB-SNVBAGLBSA-N 1 0 215.218 3.130 50 0 BGAARO c1c2ccccc2sc1[C@H]1CCC[NH2+]1 ZINC000003732431 384026562 /nfs/dbraw/zinc/02/65/62/384026562.db2.gz XXJFJEFPNFNWGX-SNVBAGLBSA-N 1 0 203.310 3.326 50 0 BGAARO c1c2ccccc2sc1[C@@H]1CCC[NH2+]1 ZINC000003732432 384026398 /nfs/dbraw/zinc/02/63/98/384026398.db2.gz XXJFJEFPNFNWGX-JTQLQIEISA-N 1 0 203.310 3.326 50 0 BGAARO C[C@H]1CC[NH2+][C@H]1c1ccc(C(F)(F)F)cc1 ZINC000003734373 177176352 /nfs/dbraw/zinc/17/63/52/177176352.db2.gz SZKSMGYUQBSYES-GZMMTYOYSA-N 1 0 229.245 3.376 50 0 BGAARO C[C@@H]1CC[NH2+][C@H]1c1ccc(C(F)(F)F)cc1 ZINC000003734374 176187214 /nfs/dbraw/zinc/18/72/14/176187214.db2.gz SZKSMGYUQBSYES-LDYMZIIASA-N 1 0 229.245 3.376 50 0 BGAARO C[C@H]1CC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000003734375 177175577 /nfs/dbraw/zinc/17/55/77/177175577.db2.gz SZKSMGYUQBSYES-KWQFWETISA-N 1 0 229.245 3.376 50 0 BGAARO C[C@@H]1CC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000003734376 176185932 /nfs/dbraw/zinc/18/59/32/176185932.db2.gz SZKSMGYUQBSYES-KCJUWKMLSA-N 1 0 229.245 3.376 50 0 BGAARO Brc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000003734447 166099708 /nfs/dbraw/zinc/09/97/08/166099708.db2.gz GHEZGFYJGORZRD-LLVKDONJSA-N 1 0 240.144 3.264 50 0 BGAARO Brc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000003734448 166103523 /nfs/dbraw/zinc/10/35/23/166103523.db2.gz BZQYYLIFPSPOKO-LLVKDONJSA-N 1 0 240.144 3.264 50 0 BGAARO Brc1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000003734449 166103047 /nfs/dbraw/zinc/10/30/47/166103047.db2.gz BZQYYLIFPSPOKO-NSHDSACASA-N 1 0 240.144 3.264 50 0 BGAARO Clc1cccc(C[C@H]2CCCC[NH2+]2)c1 ZINC000003734593 342737222 /nfs/dbraw/zinc/73/72/22/342737222.db2.gz PDSYSGSATYWYTH-GFCCVEGCSA-N 1 0 209.720 3.025 50 0 BGAARO Clc1cccc(C[C@@H]2CCCC[NH2+]2)c1 ZINC000003734594 342737075 /nfs/dbraw/zinc/73/70/75/342737075.db2.gz PDSYSGSATYWYTH-LBPRGKRZSA-N 1 0 209.720 3.025 50 0 BGAARO COc1ccc(Cl)cc1[C@@H]1CCCC[NH2+]1 ZINC000003734603 175122255 /nfs/dbraw/zinc/12/22/55/175122255.db2.gz NLOGRNGKMMVGMQ-NSHDSACASA-N 1 0 225.719 3.163 50 0 BGAARO c1ccc(CCC[C@H]2CCCC[NH2+]2)cc1 ZINC000003734644 183391769 /nfs/dbraw/zinc/39/17/69/183391769.db2.gz TZYMFYBXXDGLJD-CQSZACIVSA-N 1 0 203.329 3.151 50 0 BGAARO CSc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000003734650 342737209 /nfs/dbraw/zinc/73/72/09/342737209.db2.gz RNJZOAIKTCXGNG-LLVKDONJSA-N 1 0 207.342 3.223 50 0 BGAARO CSc1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000003734651 175584876 /nfs/dbraw/zinc/58/48/76/175584876.db2.gz RNJZOAIKTCXGNG-NSHDSACASA-N 1 0 207.342 3.223 50 0 BGAARO Clc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000003734670 342737210 /nfs/dbraw/zinc/73/72/10/342737210.db2.gz NCBKTNYICUGIBB-LBPRGKRZSA-N 1 0 209.720 3.025 50 0 BGAARO Brc1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000003734692 166101731 /nfs/dbraw/zinc/10/17/31/166101731.db2.gz PIABJNAPJPTVKN-LLVKDONJSA-N 1 0 240.144 3.264 50 0 BGAARO c1ccc2sc([C@H]3CCCC[NH2+]3)nc2c1 ZINC000003734755 384025645 /nfs/dbraw/zinc/02/56/45/384025645.db2.gz QXJHTXUNRZNJKT-SNVBAGLBSA-N 1 0 218.325 3.111 50 0 BGAARO c1ccc2sc([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000003734756 384025521 /nfs/dbraw/zinc/02/55/21/384025521.db2.gz QXJHTXUNRZNJKT-JTQLQIEISA-N 1 0 218.325 3.111 50 0 BGAARO Brc1ccc([C@H]2CCCC[NH2+]2)s1 ZINC000003734799 166100231 /nfs/dbraw/zinc/10/02/31/166100231.db2.gz URXSDDBKOOFFJD-SSDOTTSWSA-N 1 0 246.173 3.325 50 0 BGAARO Brc1ccc([C@@H]2CCCC[NH2+]2)s1 ZINC000003734800 166100186 /nfs/dbraw/zinc/10/01/86/166100186.db2.gz URXSDDBKOOFFJD-ZETCQYMHSA-N 1 0 246.173 3.325 50 0 BGAARO Cc1ccccc1C[C@H]1CCCCC[NH2+]1 ZINC000003734903 179292309 /nfs/dbraw/zinc/29/23/09/179292309.db2.gz JLYLRNHRKUXOMK-CQSZACIVSA-N 1 0 203.329 3.070 50 0 BGAARO Cc1ccccc1C[C@@H]1CCCCC[NH2+]1 ZINC000003734904 179289491 /nfs/dbraw/zinc/28/94/91/179289491.db2.gz JLYLRNHRKUXOMK-AWEZNQCLSA-N 1 0 203.329 3.070 50 0 BGAARO CCOc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000003734905 384027101 /nfs/dbraw/zinc/02/71/01/384027101.db2.gz DMMRUUPDPAVQQH-CQSZACIVSA-N 1 0 219.328 3.290 50 0 BGAARO CCOc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000003734906 384026002 /nfs/dbraw/zinc/02/60/02/384026002.db2.gz DMMRUUPDPAVQQH-AWEZNQCLSA-N 1 0 219.328 3.290 50 0 BGAARO Cc1cccc(C[C@H]2CCCCC[NH2+]2)c1 ZINC000003734989 179106355 /nfs/dbraw/zinc/10/63/55/179106355.db2.gz BVEYMEOFVJRZEG-CQSZACIVSA-N 1 0 203.329 3.070 50 0 BGAARO Cc1cccc(C[C@@H]2CCCCC[NH2+]2)c1 ZINC000003734990 179104013 /nfs/dbraw/zinc/10/40/13/179104013.db2.gz BVEYMEOFVJRZEG-AWEZNQCLSA-N 1 0 203.329 3.070 50 0 BGAARO Cc1ccc(C[C@H]2CCCCC[NH2+]2)cc1 ZINC000003734991 342737321 /nfs/dbraw/zinc/73/73/21/342737321.db2.gz SXSKIGANCQBMFE-CQSZACIVSA-N 1 0 203.329 3.070 50 0 BGAARO Cc1ccc(C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000003734992 342737437 /nfs/dbraw/zinc/73/74/37/342737437.db2.gz SXSKIGANCQBMFE-AWEZNQCLSA-N 1 0 203.329 3.070 50 0 BGAARO CC(C)Cc1ccc([C@H]([NH3+])C2CC2)cc1 ZINC000003739186 384026253 /nfs/dbraw/zinc/02/62/53/384026253.db2.gz IVMVLJNXWHRWCW-AWEZNQCLSA-N 1 0 203.329 3.295 50 0 BGAARO CC(C)Cc1ccc([C@@H]([NH3+])C2CC2)cc1 ZINC000003739187 188101461 /nfs/dbraw/zinc/10/14/61/188101461.db2.gz IVMVLJNXWHRWCW-CQSZACIVSA-N 1 0 203.329 3.295 50 0 BGAARO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000003739228 342737370 /nfs/dbraw/zinc/73/73/70/342737370.db2.gz NSVKYISBQIIXQE-SNVBAGLBSA-N 1 0 215.218 3.115 50 0 BGAARO [NH3+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000003739229 342737423 /nfs/dbraw/zinc/73/74/23/342737423.db2.gz NSVKYISBQIIXQE-JTQLQIEISA-N 1 0 215.218 3.115 50 0 BGAARO [NH2+]=C1c2ccccc2C(=O)[C@H]1c1ccccc1 ZINC000003832448 181207632 /nfs/dbraw/zinc/20/76/32/181207632.db2.gz SSNSXBMTVMEFKG-ZDUSSCGKSA-N 1 0 221.259 3.035 50 0 BGAARO CC1=[N+](C)c2ccc(Cl)cc2C1(C)C ZINC000003845434 168137610 /nfs/dbraw/zinc/13/76/10/168137610.db2.gz NLRLYUZZDFIGOR-UHFFFAOYSA-N 1 0 208.712 3.366 50 0 BGAARO [NH3+]Cc1cccc2c(Br)cccc12 ZINC000003845647 342738027 /nfs/dbraw/zinc/73/80/27/342738027.db2.gz URYBNZXHAKEZTF-UHFFFAOYSA-N 1 0 236.112 3.061 50 0 BGAARO [NH3+]Cc1ccc2c(Br)cccc2c1 ZINC000003845650 384028852 /nfs/dbraw/zinc/02/88/52/384028852.db2.gz GDSVAYBSAGVXNK-UHFFFAOYSA-N 1 0 236.112 3.061 50 0 BGAARO [NH2+]=C[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003846235 181208337 /nfs/dbraw/zinc/20/83/37/181208337.db2.gz GYYRCNNQEVBKNR-CQSZACIVSA-N 1 0 223.275 3.303 50 0 BGAARO [NH2+]=C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003846236 181208356 /nfs/dbraw/zinc/20/83/56/181208356.db2.gz GYYRCNNQEVBKNR-AWEZNQCLSA-N 1 0 223.275 3.303 50 0 BGAARO CC(=O)c1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000003866652 384031092 /nfs/dbraw/zinc/03/10/92/384031092.db2.gz XCBMRNGMICSGQM-UHFFFAOYSA-N 1 0 230.311 3.274 50 0 BGAARO COc1ccc(C)cc1NC1=[NH+]CCCCC1 ZINC000003866658 175077923 /nfs/dbraw/zinc/07/79/23/175077923.db2.gz DRMDEMHMKXAAFV-UHFFFAOYSA-N 1 0 232.327 3.388 50 0 BGAARO CCC[NH+](CCC)[C@@H]1CCc2ccc(O)cc2C1 ZINC000003870310 169150666 /nfs/dbraw/zinc/15/06/66/169150666.db2.gz BLYMJBIZMIGWFK-OAHLLOKOSA-N 1 0 247.382 3.372 50 0 in-vivo BGAARO CCC[NH+](CCC)[C@H]1CCc2ccc(O)cc2C1 ZINC000003870311 169152426 /nfs/dbraw/zinc/15/24/26/169152426.db2.gz BLYMJBIZMIGWFK-HNNXBMFYSA-N 1 0 247.382 3.372 50 0 in-vivo BGAARO CCC[NH+](CCC)[C@@H]1CCc2cccc(O)c2C1 ZINC000003870312 169151264 /nfs/dbraw/zinc/15/12/64/169151264.db2.gz ASXGJMSKWNBENU-CQSZACIVSA-N 1 0 247.382 3.372 50 0 in-vitro BGAARO CCC[NH+](CCC)[C@H]1CCc2cccc(O)c2C1 ZINC000003870313 169152301 /nfs/dbraw/zinc/15/23/01/169152301.db2.gz ASXGJMSKWNBENU-AWEZNQCLSA-N 1 0 247.382 3.372 50 0 in-vitro BGAARO Cn1c2ccccc2[n+](C)c1/C=C/c1ccccc1 ZINC000003878964 342738680 /nfs/dbraw/zinc/73/86/80/342738680.db2.gz LUGYDRGZQHGHLA-OUKQBFOZSA-N 1 0 249.337 3.173 50 0 BGAARO [NH2+]=C1Cc2ccccc2CN1c1ccccc1 ZINC000003880447 343272879 /nfs/dbraw/zinc/27/28/79/343272879.db2.gz DILLVVUEXAEBIC-UHFFFAOYSA-N 1 0 222.291 3.227 50 0 BGAARO C[NH2+]Cc1ccccc1-c1cccs1 ZINC000003880928 188275381 /nfs/dbraw/zinc/27/53/81/188275381.db2.gz MRKJJEJYTBOUTH-UHFFFAOYSA-N 1 0 203.310 3.135 50 0 in-vivo BGAARO CCC[N@@H+](Cc1cnc(Cl)s1)CC1CC1 ZINC000003884438 169180101 /nfs/dbraw/zinc/18/01/01/169180101.db2.gz ZXEIJEITQMYTKG-UHFFFAOYSA-N 1 0 244.791 3.419 50 0 BGAARO CC1(C)CC(=[NH2+])C=C(N2CCCCC2)C1 ZINC000003885447 187411380 /nfs/dbraw/zinc/41/13/80/187411380.db2.gz OAQBRZYZPLCAQO-UHFFFAOYSA-N 1 0 206.333 3.196 50 0 BGAARO CC[C@@H](C)CCCCNC1=[NH+]CCCS1 ZINC000003885618 535488532 /nfs/dbraw/zinc/48/85/32/535488532.db2.gz PVMDQZFDLAEDFH-LLVKDONJSA-N 1 0 228.405 3.285 50 0 BGAARO CC[C@H](C)CCCCNC1=[NH+]CCCS1 ZINC000003885619 384031505 /nfs/dbraw/zinc/03/15/05/384031505.db2.gz PVMDQZFDLAEDFH-NSHDSACASA-N 1 0 228.405 3.285 50 0 BGAARO CC[C@@H]1CSC(Nc2ccc(C)cc2)=N1 ZINC000003885629 171114480 /nfs/dbraw/zinc/11/44/80/171114480.db2.gz AYJLDWNXWJOGPT-SNVBAGLBSA-N 1 0 220.341 3.288 50 0 BGAARO C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000003886966 384031276 /nfs/dbraw/zinc/03/12/76/384031276.db2.gz ONUTUHCURYPKKQ-AWEZNQCLSA-N 1 0 215.271 3.135 50 0 BGAARO C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000003886967 384031252 /nfs/dbraw/zinc/03/12/52/384031252.db2.gz ONUTUHCURYPKKQ-CQSZACIVSA-N 1 0 215.271 3.135 50 0 BGAARO C[C@H]([NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000003895599 176743890 /nfs/dbraw/zinc/74/38/90/176743890.db2.gz OOQVJPLFOITUKD-MWKHJINRSA-N 1 0 207.361 3.153 50 0 BGAARO C[C@@H]([NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000003895600 633153802 /nfs/dbraw/zinc/15/38/02/633153802.db2.gz OOQVJPLFOITUKD-ZGCIAEMCSA-N 1 0 207.361 3.153 50 0 BGAARO CC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000003897590 170138972 /nfs/dbraw/zinc/13/89/72/170138972.db2.gz GLDFVSWZLHGRPN-MWKHJINRSA-N 1 0 207.361 3.201 50 0 BGAARO CC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000003897591 170156750 /nfs/dbraw/zinc/15/67/50/170156750.db2.gz GLDFVSWZLHGRPN-ZGCIAEMCSA-N 1 0 207.361 3.201 50 0 BGAARO CC[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000003897592 347635920 /nfs/dbraw/zinc/63/59/20/347635920.db2.gz XEHNZBKIGUJPRZ-UHFFFAOYSA-N 1 0 207.361 3.155 50 0 BGAARO Cc1sc2c3ccsc3ccc2[n+]1C ZINC000003905664 351490878 /nfs/dbraw/zinc/49/08/78/351490878.db2.gz WBENDUCCZNGGIM-UHFFFAOYSA-N 1 0 220.342 3.249 50 0 BGAARO CCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C ZINC000003995669 169283255 /nfs/dbraw/zinc/28/32/55/169283255.db2.gz YGHLYBIUVOLKCV-SMDDNHRTSA-N 1 0 233.355 3.113 50 0 in-vitro BGAARO C[C@@H]1C[N@@H+](C(C)(C)C)CC[C@]1(O)c1ccccc1 ZINC000003996529 176265961 /nfs/dbraw/zinc/26/59/61/176265961.db2.gz BXLPAZLWXATNBH-CZUORRHYSA-N 1 0 247.382 3.015 50 0 BGAARO NC(=[NH2+])SCc1ccc(Cl)c(Cl)c1 ZINC000004013992 181192651 /nfs/dbraw/zinc/19/26/51/181192651.db2.gz LZTCFLDZLBOLDW-UHFFFAOYSA-N 1 0 235.139 3.120 50 0 in-vivo BGAARO [NH2+]=C(c1ccc(Cl)cc1)N1CCCCC1 ZINC000004014390 181206950 /nfs/dbraw/zinc/20/69/50/181206950.db2.gz PUGDMMRYGLZYBP-UHFFFAOYSA-N 1 0 222.719 3.151 50 0 BGAARO CCCC[C@@H]1C[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000004019957 343272758 /nfs/dbraw/zinc/27/27/58/343272758.db2.gz QSWUHCIUQIOCAM-CVEARBPZSA-N 1 0 247.382 3.016 50 0 BGAARO CCCC[C@H]1C[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000004019958 343272981 /nfs/dbraw/zinc/27/29/81/343272981.db2.gz QSWUHCIUQIOCAM-HOTGVXAUSA-N 1 0 247.382 3.016 50 0 BGAARO C[N@H+](C[C@H](O)c1ccccc1)C[C@@H]1CC=CCC1 ZINC000004021490 384036047 /nfs/dbraw/zinc/03/60/47/384036047.db2.gz XTEFZUUUYVDILA-ZBFHGGJFSA-N 1 0 245.366 3.008 50 0 BGAARO C[C@H](CC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1 ZINC000004022265 343273077 /nfs/dbraw/zinc/27/30/77/343273077.db2.gz BGANQIAXOIFQLM-GDBMZVCRSA-N 1 0 247.382 3.027 50 0 BGAARO CC[C@]1(C)C[C@@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004029707 372121202 /nfs/dbraw/zinc/12/12/02/372121202.db2.gz FHRPULWHPSYQMC-CVEARBPZSA-N 1 0 247.382 3.252 50 0 BGAARO CC[C@]1(C)C[C@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004029709 171721679 /nfs/dbraw/zinc/72/16/79/171721679.db2.gz FHRPULWHPSYQMC-HZPDHXFCSA-N 1 0 247.382 3.252 50 0 BGAARO CC[C@@]1(C)C[C@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004029710 171208363 /nfs/dbraw/zinc/20/83/63/171208363.db2.gz FHRPULWHPSYQMC-JKSUJKDBSA-N 1 0 247.382 3.252 50 0 BGAARO CCC[N@@H+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000004031164 169210535 /nfs/dbraw/zinc/21/05/35/169210535.db2.gz NZBMCFAPUPWLPQ-DZKIICNBSA-N 1 0 247.382 3.015 50 0 BGAARO CC(C)CC[C@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000004046707 352624684 /nfs/dbraw/zinc/62/46/84/352624684.db2.gz NDWXIYYHLSYDIT-AWEZNQCLSA-N 1 0 227.392 3.347 50 0 BGAARO CC(C)CC[C@@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000004046709 352624706 /nfs/dbraw/zinc/62/47/06/352624706.db2.gz NDWXIYYHLSYDIT-CQSZACIVSA-N 1 0 227.392 3.347 50 0 BGAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC1 ZINC000004073037 175770552 /nfs/dbraw/zinc/77/05/52/175770552.db2.gz GQNWODKVERAJKJ-VIFPVBQESA-N 1 0 209.720 3.023 50 0 BGAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC1 ZINC000004073038 176721864 /nfs/dbraw/zinc/72/18/64/176721864.db2.gz GQNWODKVERAJKJ-SECBINFHSA-N 1 0 209.720 3.023 50 0 BGAARO c1cncc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000004075378 183492296 /nfs/dbraw/zinc/49/22/96/183492296.db2.gz MQGCWYOYOGXQBU-UHFFFAOYSA-N 1 0 242.366 3.140 50 0 BGAARO CCCc1c(CC)c(=[NH2+])c2ccccc2n1C ZINC000004082935 169561321 /nfs/dbraw/zinc/56/13/21/169561321.db2.gz JAPBALWUJAIERZ-UHFFFAOYSA-N 1 0 228.339 3.173 50 0 BGAARO C[C@@H]1CC[C@@H]2[C@@H]([NH2+]1)c1ccccc1OC2(C)C ZINC000004084095 634016331 /nfs/dbraw/zinc/01/63/31/634016331.db2.gz JKYWBXHMWFQXCG-QKCSRTOESA-N 1 0 231.339 3.287 50 0 BGAARO C[N@H+](CCc1ccccc1)C1CCCCC1 ZINC000004105464 372142640 /nfs/dbraw/zinc/14/26/40/372142640.db2.gz VHFMWNMKPNOLAD-UHFFFAOYSA-N 1 0 217.356 3.494 50 0 BGAARO Cc1ccc(/C=C/c2cccc[n+]2C)c(C)c1 ZINC000004118581 188102183 /nfs/dbraw/zinc/10/21/83/188102183.db2.gz QKQZYJUUBQROMS-MDZDMXLPSA-N 1 0 224.327 3.298 50 0 BGAARO CSc1ccc(/C=C/c2cccc[n+]2C)cc1 ZINC000004118587 372146577 /nfs/dbraw/zinc/14/65/77/372146577.db2.gz CWWCLJGOQRIHTN-RMKNXTFCSA-N 1 0 242.367 3.403 50 0 BGAARO CC[C@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000004125087 384042228 /nfs/dbraw/zinc/04/22/28/384042228.db2.gz HUCUZLRORHFRHN-PRTVBDMESA-N 1 0 207.361 3.330 50 0 BGAARO CC[C@@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000004125088 384043095 /nfs/dbraw/zinc/04/30/95/384043095.db2.gz HUCUZLRORHFRHN-JEFIIJIESA-N 1 0 207.361 3.330 50 0 BGAARO Cc1[nH]c2ccc(C(C)(C)C)cc2c1CC[NH3+] ZINC000004127206 177511249 /nfs/dbraw/zinc/51/12/49/177511249.db2.gz SMTUHKLKUIOTOF-UHFFFAOYSA-N 1 0 230.355 3.275 50 0 BGAARO C[C@H]([NH3+])C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000004159387 342743362 /nfs/dbraw/zinc/74/33/62/342743362.db2.gz OOWLVAALHKQYIB-AQPKCQGTSA-N 1 0 207.361 3.330 50 0 BGAARO C[C@@H]([NH3+])C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000004159388 384041749 /nfs/dbraw/zinc/04/17/49/384041749.db2.gz OOWLVAALHKQYIB-HUEPFSFMSA-N 1 0 207.361 3.330 50 0 BGAARO Cc1ccccc1C[NH2+]C1CCCCC1 ZINC000004167823 179280800 /nfs/dbraw/zinc/28/08/00/179280800.db2.gz LKCSEKZOYZOQAS-UHFFFAOYSA-N 1 0 203.329 3.417 50 0 BGAARO Cc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000004167824 179096337 /nfs/dbraw/zinc/09/63/37/179096337.db2.gz QBRIQEJWKAPIEE-UHFFFAOYSA-N 1 0 211.308 3.285 50 0 BGAARO C1=C(CCNC2=[NH+]CCCCC2)CCCC1 ZINC000004195371 372162301 /nfs/dbraw/zinc/16/23/01/372162301.db2.gz YMNIENAYMIMJBW-UHFFFAOYSA-N 1 0 220.360 3.439 50 0 BGAARO COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000004196466 175106180 /nfs/dbraw/zinc/10/61/80/175106180.db2.gz XBULMJLIEXHYQR-UHFFFAOYSA-N 1 0 219.328 3.118 50 0 BGAARO C[C@H]([NH3+])c1cc(F)c(Cl)cc1Cl ZINC000004200304 342743652 /nfs/dbraw/zinc/74/36/52/342743652.db2.gz UUGIXMDBIAKDBF-BYPYZUCNSA-N 1 0 208.063 3.152 50 0 BGAARO C[C@@H]([NH3+])c1cc(F)c(Cl)cc1Cl ZINC000004200305 384044678 /nfs/dbraw/zinc/04/46/78/384044678.db2.gz UUGIXMDBIAKDBF-SCSAIBSYSA-N 1 0 208.063 3.152 50 0 BGAARO Cc1ccc([C@H]([NH3+])c2ccccc2)cc1C ZINC000004200433 342743621 /nfs/dbraw/zinc/74/36/21/342743621.db2.gz SHTRAWTWCSATJL-OAHLLOKOSA-N 1 0 211.308 3.352 50 0 BGAARO Cc1ccc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000004200434 384044770 /nfs/dbraw/zinc/04/47/70/384044770.db2.gz SHTRAWTWCSATJL-HNNXBMFYSA-N 1 0 211.308 3.352 50 0 BGAARO C[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000004200648 173388045 /nfs/dbraw/zinc/38/80/45/173388045.db2.gz DRDAOZOONYPMPX-UHFFFAOYSA-N 1 0 203.310 3.135 50 0 BGAARO [NH3+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004205253 384044132 /nfs/dbraw/zinc/04/41/32/384044132.db2.gz UWARBRXWIXCVNO-OSSATUEASA-N 1 0 235.330 3.242 50 0 BGAARO [NH3+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000004206130 342744340 /nfs/dbraw/zinc/74/43/40/342744340.db2.gz SNPZHPCBEJLTAZ-ZDUSSCGKSA-N 1 0 249.260 3.336 50 0 BGAARO [NH3+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000004206131 181633327 /nfs/dbraw/zinc/63/33/27/181633327.db2.gz SNPZHPCBEJLTAZ-CYBMUJFWSA-N 1 0 249.260 3.336 50 0 BGAARO CCc1ccc([C@H]([NH3+])c2cccc(F)c2)cc1 ZINC000004206136 384045466 /nfs/dbraw/zinc/04/54/66/384045466.db2.gz 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BGAARO CCc1ccc([C@H]([NH3+])c2cccs2)cc1 ZINC000004207022 384045091 /nfs/dbraw/zinc/04/50/91/384045091.db2.gz XZZLXEAHTSBXKM-ZDUSSCGKSA-N 1 0 217.337 3.359 50 0 BGAARO CCc1ccc([C@@H]([NH3+])c2cccs2)cc1 ZINC000004207023 384044190 /nfs/dbraw/zinc/04/41/90/384044190.db2.gz XZZLXEAHTSBXKM-CYBMUJFWSA-N 1 0 217.337 3.359 50 0 BGAARO CC(C)([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000004217454 187247173 /nfs/dbraw/zinc/24/71/73/187247173.db2.gz OWKXRDQRMTVCEX-UHFFFAOYSA-N 1 0 207.361 3.330 50 0 in-man BGAARO c1csc([C@H]2[NH2+]CCc3sccc32)c1 ZINC000004218455 342744454 /nfs/dbraw/zinc/74/44/54/342744454.db2.gz FNAIZDXMURLVGG-NSHDSACASA-N 1 0 221.350 3.045 50 0 BGAARO c1csc([C@@H]2[NH2+]CCc3sccc32)c1 ZINC000004218456 342744487 /nfs/dbraw/zinc/74/44/87/342744487.db2.gz FNAIZDXMURLVGG-LLVKDONJSA-N 1 0 221.350 3.045 50 0 BGAARO CCOc1ccc([C@H]([NH3+])C(C)C)cc1OCC ZINC000004218941 342744503 /nfs/dbraw/zinc/74/45/03/342744503.db2.gz SLDDUIBPQBTDJT-CQSZACIVSA-N 1 0 237.343 3.140 50 0 BGAARO CCOc1ccc([C@@H]([NH3+])C(C)C)cc1OCC ZINC000004218942 342744661 /nfs/dbraw/zinc/74/46/61/342744661.db2.gz SLDDUIBPQBTDJT-AWEZNQCLSA-N 1 0 237.343 3.140 50 0 BGAARO Cc1nc(-c2ccc([C@@H](C)[NH3+])cc2)cs1 ZINC000004219195 384047970 /nfs/dbraw/zinc/04/79/70/384047970.db2.gz SHQUBDGUMVSAGB-MRVPVSSYSA-N 1 0 218.325 3.138 50 0 BGAARO Cc1nc(-c2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000004219196 179864870 /nfs/dbraw/zinc/86/48/70/179864870.db2.gz SHQUBDGUMVSAGB-QMMMGPOBSA-N 1 0 218.325 3.138 50 0 BGAARO [NH3+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000004219218 384048273 /nfs/dbraw/zinc/04/82/73/384048273.db2.gz GQCOQKCMXKBKIE-UHFFFAOYSA-N 1 0 230.292 3.015 50 0 BGAARO C[C@@H]([NH3+])Cc1c[nH]c2c1ccc1ccccc21 ZINC000004229269 634283647 /nfs/dbraw/zinc/28/36/47/634283647.db2.gz UONRZFDQJUGVBJ-SNVBAGLBSA-N 1 0 224.307 3.211 50 0 BGAARO Clc1cc(Cl)cc([C@H]2CCC[NH2+]2)c1 ZINC000004234766 342744948 /nfs/dbraw/zinc/74/49/48/342744948.db2.gz RGJUGOHYPAYSDI-SNVBAGLBSA-N 1 0 216.111 3.418 50 0 BGAARO COc1ccc([C@@H]2CCCCC[NH2+]2)cc1C ZINC000004234883 175181652 /nfs/dbraw/zinc/18/16/52/175181652.db2.gz RJUOODMAZIKLOR-ZDUSSCGKSA-N 1 0 219.328 3.208 50 0 BGAARO COc1ccc([C@H]2CCCCC[NH2+]2)cc1C ZINC000004234884 175194508 /nfs/dbraw/zinc/19/45/08/175194508.db2.gz RJUOODMAZIKLOR-CYBMUJFWSA-N 1 0 219.328 3.208 50 0 BGAARO CC(C)(C)[C@]1(C(F)(F)C(F)(F)F)CCC[NH2+]1 ZINC000004234950 384050578 /nfs/dbraw/zinc/05/05/78/384050578.db2.gz GCGLXVQHXLANBF-QMMMGPOBSA-N 1 0 245.235 3.352 50 0 BGAARO CC(C)(C)[C@@]1(C(F)(F)C(F)(F)F)CCC[NH2+]1 ZINC000004234951 187247313 /nfs/dbraw/zinc/24/73/13/187247313.db2.gz GCGLXVQHXLANBF-MRVPVSSYSA-N 1 0 245.235 3.352 50 0 BGAARO CCCC[C@]1(C(F)(F)C(F)(F)F)CCC[NH2+]1 ZINC000004234956 169015430 /nfs/dbraw/zinc/01/54/30/169015430.db2.gz WATUAYSAIHYCTR-MRVPVSSYSA-N 1 0 245.235 3.496 50 0 BGAARO CCCC[C@@]1(C(F)(F)C(F)(F)F)CCC[NH2+]1 ZINC000004234957 342744895 /nfs/dbraw/zinc/74/48/95/342744895.db2.gz WATUAYSAIHYCTR-QMMMGPOBSA-N 1 0 245.235 3.496 50 0 BGAARO CC(C)(C)c1ccc(C[C@@H]2CCC[NH2+]2)cc1 ZINC000004237817 342745126 /nfs/dbraw/zinc/74/51/26/342745126.db2.gz OUJRIDWDESNLOR-AWEZNQCLSA-N 1 0 217.356 3.279 50 0 BGAARO CC(C)(C)c1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000004237818 342745205 /nfs/dbraw/zinc/74/52/05/342745205.db2.gz OUJRIDWDESNLOR-CQSZACIVSA-N 1 0 217.356 3.279 50 0 BGAARO COc1cc(Cl)ccc1[C@@H]1CCCC[NH2+]1 ZINC000004237915 342745226 /nfs/dbraw/zinc/74/52/26/342745226.db2.gz CCMUQPOROGJDHB-NSHDSACASA-N 1 0 225.719 3.163 50 0 BGAARO COc1cc(Cl)ccc1[C@H]1CCCC[NH2+]1 ZINC000004237916 342745151 /nfs/dbraw/zinc/74/51/51/342745151.db2.gz CCMUQPOROGJDHB-LLVKDONJSA-N 1 0 225.719 3.163 50 0 BGAARO c1cc(N2CC[NH2+]CC2)ccc1C1CCCCC1 ZINC000004244735 132316256 /nfs/dbraw/zinc/31/62/56/132316256.db2.gz CRUVZSXCXPWZAC-UHFFFAOYSA-N 1 0 244.382 3.144 50 0 BGAARO CC(C)c1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000004244803 342745465 /nfs/dbraw/zinc/74/54/65/342745465.db2.gz CMOHNGCNRWFAFR-UHFFFAOYSA-N 1 0 240.350 3.495 50 0 BGAARO c1ccc2c(c1)cccc2[C@@H]1CSCC[NH2+]1 ZINC000004253925 384049363 /nfs/dbraw/zinc/04/93/63/384049363.db2.gz JROQJAPTCKSEBT-AWEZNQCLSA-N 1 0 229.348 3.217 50 0 BGAARO c1ccc2c(c1)cccc2[C@H]1CSCC[NH2+]1 ZINC000004253932 384049593 /nfs/dbraw/zinc/04/95/93/384049593.db2.gz JROQJAPTCKSEBT-CQSZACIVSA-N 1 0 229.348 3.217 50 0 BGAARO C[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000004265705 384052244 /nfs/dbraw/zinc/05/22/44/384052244.db2.gz GWRYGVPRPBVFRS-NSHDSACASA-N 1 0 201.269 3.130 50 0 BGAARO C[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000004265707 342745810 /nfs/dbraw/zinc/74/58/10/342745810.db2.gz GWRYGVPRPBVFRS-LLVKDONJSA-N 1 0 201.269 3.130 50 0 BGAARO CC(C)(C[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000004270260 372190522 /nfs/dbraw/zinc/19/05/22/372190522.db2.gz FXECDZNMHXXDIB-UHFFFAOYSA-N 1 0 207.361 3.188 50 0 BGAARO Cc1ccc(C([NH3+])c2ccc(C)cc2)cc1 ZINC000004283734 397923639 /nfs/dbraw/zinc/92/36/39/397923639.db2.gz KMPMUIHLWYUKCS-UHFFFAOYSA-N 1 0 211.308 3.352 50 0 BGAARO CCCC[N@@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1 ZINC000004289834 388398441 /nfs/dbraw/zinc/39/84/41/388398441.db2.gz PVRVHWLEIQVCSY-WDEREUQCSA-N 1 0 213.752 3.251 50 0 BGAARO CCCC[N@@H+]1C[C@H]2CC=C(Cl)C[C@@H]2C1 ZINC000004289835 388398854 /nfs/dbraw/zinc/39/88/54/388398854.db2.gz PVRVHWLEIQVCSY-GHMZBOCLSA-N 1 0 213.752 3.251 50 0 BGAARO CC(C)[NH2+]Cc1cc2ccccc2s1 ZINC000004298820 167116642 /nfs/dbraw/zinc/11/66/42/167116642.db2.gz AQCLDPJJUASHRM-UHFFFAOYSA-N 1 0 205.326 3.399 50 0 BGAARO CC(C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000004298842 167121209 /nfs/dbraw/zinc/12/12/09/167121209.db2.gz BODLDGBIAIUIMV-UHFFFAOYSA-N 1 0 232.352 3.308 50 0 BGAARO Clc1ccc(CCC2CC[NH2+]CC2)cc1 ZINC000004312789 342746429 /nfs/dbraw/zinc/74/64/29/342746429.db2.gz AQCBKTINMFHGHG-UHFFFAOYSA-N 1 0 223.747 3.272 50 0 BGAARO Clc1cccc(CCC2CC[NH2+]CC2)c1 ZINC000004312790 342746468 /nfs/dbraw/zinc/74/64/68/342746468.db2.gz RRGOZBMVNAAEGW-UHFFFAOYSA-N 1 0 223.747 3.272 50 0 BGAARO CCOc1ccc(CCC2CC[NH2+]CC2)cc1 ZINC000004312833 170542037 /nfs/dbraw/zinc/54/20/37/170542037.db2.gz RHAXRQPWFIDGAB-UHFFFAOYSA-N 1 0 233.355 3.018 50 0 BGAARO COc1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000004312897 384057117 /nfs/dbraw/zinc/05/71/17/384057117.db2.gz PSFUKRBVHOUBEM-HNNXBMFYSA-N 1 0 227.307 3.052 50 0 BGAARO COc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000004312898 175192827 /nfs/dbraw/zinc/19/28/27/175192827.db2.gz PSFUKRBVHOUBEM-OAHLLOKOSA-N 1 0 227.307 3.052 50 0 BGAARO CCOc1ccc([C@H]([NH3+])c2ccccc2)cc1 ZINC000004312903 342746564 /nfs/dbraw/zinc/74/65/64/342746564.db2.gz DZZLERCMSWAOHE-OAHLLOKOSA-N 1 0 227.307 3.133 50 0 BGAARO CCOc1ccc([C@@H]([NH3+])c2ccccc2)cc1 ZINC000004312905 342746613 /nfs/dbraw/zinc/74/66/13/342746613.db2.gz DZZLERCMSWAOHE-HNNXBMFYSA-N 1 0 227.307 3.133 50 0 BGAARO [NH3+]CCCCCCc1c[nH]c2ccccc12 ZINC000004320822 181374798 /nfs/dbraw/zinc/37/47/98/181374798.db2.gz GSOQFCIVGOXYMC-UHFFFAOYSA-N 1 0 216.328 3.230 50 0 BGAARO c1ccc(C(c2ccccc2)[NH+]2CCC2)cc1 ZINC000004321895 183388086 /nfs/dbraw/zinc/38/80/86/183388086.db2.gz AZHWVHNIAGJINK-UHFFFAOYSA-N 1 0 223.319 3.482 50 0 in-vitro BGAARO C[C@@H]1CC2(CC[NH+](C)CC2)Nc2ccccc21 ZINC000004342688 176057638 /nfs/dbraw/zinc/05/76/38/176057638.db2.gz XRLSOHOYLFSEFM-GFCCVEGCSA-N 1 0 230.355 3.070 50 0 BGAARO C[C@H]1CC2(CC[NH+](C)CC2)Nc2ccccc21 ZINC000004342689 177067568 /nfs/dbraw/zinc/06/75/68/177067568.db2.gz XRLSOHOYLFSEFM-LBPRGKRZSA-N 1 0 230.355 3.070 50 0 BGAARO Cc1sc(C=O)cc1C[NH+]1CCCCCC1 ZINC000004343216 342746863 /nfs/dbraw/zinc/74/68/63/342746863.db2.gz UUPWYPAENGDKNI-UHFFFAOYSA-N 1 0 237.368 3.245 50 0 BGAARO [NH3+]CCc1ccc2oc3ccccc3c2c1 ZINC000004344119 181412435 /nfs/dbraw/zinc/41/24/35/181412435.db2.gz ZOKROQUVFLNFCS-UHFFFAOYSA-N 1 0 211.264 3.087 50 0 BGAARO Cc1c(C)c(C)c(CSC(N)=[NH2+])c(C)c1C ZINC000004344462 347361571 /nfs/dbraw/zinc/36/15/71/347361571.db2.gz AHAZESQMJNHUGF-UHFFFAOYSA-N 1 0 236.384 3.355 50 0 BGAARO CSC(=[NH2+])Nc1cc(C)c(C)cc1C ZINC000004347973 384055967 /nfs/dbraw/zinc/05/59/67/384055967.db2.gz FDYGEBPUZCBIRQ-UHFFFAOYSA-N 1 0 208.330 3.322 50 0 BGAARO CC(C)[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@H]1C ZINC000004359581 167032959 /nfs/dbraw/zinc/03/29/59/167032959.db2.gz SIPPYVOQXDDGOR-SQWLQELKSA-N 1 0 247.382 3.013 50 0 BGAARO CC(C)[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000004359584 167033759 /nfs/dbraw/zinc/03/37/59/167033759.db2.gz SIPPYVOQXDDGOR-OFQRWUPVSA-N 1 0 247.382 3.013 50 0 BGAARO CC(C)[N@@H+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C ZINC000004359587 342856965 /nfs/dbraw/zinc/85/69/65/342856965.db2.gz SIPPYVOQXDDGOR-LZWOXQAQSA-N 1 0 247.382 3.013 50 0 BGAARO c1ccc(C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000004364641 183389000 /nfs/dbraw/zinc/38/90/00/183389000.db2.gz BTVVEKSXUOEVAY-UHFFFAOYSA-N 1 0 237.346 3.356 50 0 BGAARO NC(=[NH2+])SCc1c(Cl)cccc1Cl ZINC000004377626 181192734 /nfs/dbraw/zinc/19/27/34/181192734.db2.gz PHDJNQQXOMCMRL-UHFFFAOYSA-N 1 0 235.139 3.120 50 0 BGAARO NC(=[NH2+])SCCCCCC=C(Cl)Cl ZINC000004397783 181192843 /nfs/dbraw/zinc/19/28/43/181192843.db2.gz SPWPZVQYULWTAG-UHFFFAOYSA-N 1 0 241.187 3.492 50 0 BGAARO Clc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000004413556 342747689 /nfs/dbraw/zinc/74/76/89/342747689.db2.gz INIBWQHGQYJGEZ-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO CSc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000004413635 342747731 /nfs/dbraw/zinc/74/77/31/342747731.db2.gz DGUKNBFDDUBTGP-UHFFFAOYSA-N 1 0 244.363 3.093 50 0 BGAARO c1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccn1 ZINC000004450508 183348588 /nfs/dbraw/zinc/34/85/88/183348588.db2.gz APISUIZGJDXZDM-UHFFFAOYSA-N 1 0 242.366 3.140 50 0 BGAARO C1CC[C@@H](C23CC4CC(CC(C4)C2)C3)[NH2+]C1 ZINC000004454592 342871409 /nfs/dbraw/zinc/87/14/09/342871409.db2.gz CGRWFWOAXCFBRF-IHXHZNKUSA-N 1 0 219.372 3.345 50 0 in-vivo BGAARO C1CC[C@H](C23CC4CC(CC(C4)C2)C3)[NH2+]C1 ZINC000004454593 342871413 /nfs/dbraw/zinc/87/14/13/342871413.db2.gz CGRWFWOAXCFBRF-WRHSUISWSA-N 1 0 219.372 3.345 50 0 in-vivo BGAARO CC(C)(C)c1ccccc1OCC[NH+]1CCCC1 ZINC000004472859 256511564 /nfs/dbraw/zinc/51/15/64/256511564.db2.gz FHGOJOCCKBAYLC-UHFFFAOYSA-N 1 0 247.382 3.459 50 0 BGAARO C[C@@H]1C/C(=C/c2ccco2)[C@H](C)[N@@H+](C)C1 ZINC000004474021 177056379 /nfs/dbraw/zinc/05/63/79/177056379.db2.gz ZVFSUINMTCQBSE-IESZJLAKSA-N 1 0 205.301 3.023 50 0 BGAARO Cc1ccc2oc(-c3ccc(C[NH3+])cc3)nc2c1 ZINC000004487753 178985758 /nfs/dbraw/zinc/98/57/58/178985758.db2.gz HNAMVKUEIKNELN-UHFFFAOYSA-N 1 0 238.290 3.262 50 0 BGAARO Fc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000004501803 342748265 /nfs/dbraw/zinc/74/82/65/342748265.db2.gz WIRGRJRGPWPUGN-UHFFFAOYSA-N 1 0 221.319 3.496 50 0 BGAARO c1coc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000004507159 183510214 /nfs/dbraw/zinc/51/02/14/183510214.db2.gz BQJTZOSPFAXOEO-UHFFFAOYSA-N 1 0 231.339 3.338 50 0 BGAARO CC(C)[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000004508861 188276405 /nfs/dbraw/zinc/27/64/05/188276405.db2.gz ANFOWSMYMVVVLD-ZDUSSCGKSA-N 1 0 214.312 3.011 50 0 BGAARO [NH3+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000004511922 342748561 /nfs/dbraw/zinc/74/85/61/342748561.db2.gz HJJRPYFDKVKGRQ-HNNXBMFYSA-N 1 0 223.275 3.481 50 0 BGAARO [NH3+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000004511923 342748556 /nfs/dbraw/zinc/74/85/56/342748556.db2.gz HJJRPYFDKVKGRQ-OAHLLOKOSA-N 1 0 223.275 3.481 50 0 BGAARO COc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000004512845 175107872 /nfs/dbraw/zinc/10/78/72/175107872.db2.gz RYPDWMMDTBTIGF-UHFFFAOYSA-N 1 0 233.336 3.047 50 0 BGAARO Cc1cc(OCC[NH3+])c(C(C)C)cc1Cl ZINC000004520664 178211583 /nfs/dbraw/zinc/21/15/83/178211583.db2.gz CFZGMLJESZUTFL-UHFFFAOYSA-N 1 0 227.735 3.109 50 0 BGAARO [NH3+]CCOc1ccc(C2CCCCC2)cc1 ZINC000004539155 384065905 /nfs/dbraw/zinc/06/59/05/384065905.db2.gz CRQJNXLEVBZGRP-UHFFFAOYSA-N 1 0 219.328 3.072 50 0 BGAARO Fc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004550722 347908229 /nfs/dbraw/zinc/90/82/29/347908229.db2.gz VNORDHUBNAOTKR-UHFFFAOYSA-N 1 0 241.309 3.384 50 0 BGAARO c1ccc2c(c1)CC[N@@H+](C1CCCCC1)C2 ZINC000004551742 384414846 /nfs/dbraw/zinc/41/48/46/384414846.db2.gz CHQJPAHAZTZYRZ-UHFFFAOYSA-N 1 0 215.340 3.377 50 0 BGAARO C[C@H](CCCC(C)(C)O)[NH2+]Cc1ccccc1 ZINC000004576905 176617573 /nfs/dbraw/zinc/61/75/73/176617573.db2.gz OJBAKWHMDUKQLQ-CYBMUJFWSA-N 1 0 235.371 3.106 50 0 BGAARO c1ccc(CC2=[NH+]CCc3ccccc32)cc1 ZINC000004578142 183390840 /nfs/dbraw/zinc/39/08/40/183390840.db2.gz BQIIGTSQOCWPDH-UHFFFAOYSA-N 1 0 221.303 3.275 50 0 BGAARO CC[n+]1ccc(/C=C\c2ccc(C)cc2)cc1 ZINC000004582356 187316740 /nfs/dbraw/zinc/31/67/40/187316740.db2.gz STPFFXHPRIQRSI-HJWRWDBZSA-N 1 0 224.327 3.473 50 0 BGAARO CC[n+]1ccc(/C=C\c2ccccc2)cc1 ZINC000004582469 191119076 /nfs/dbraw/zinc/11/90/76/191119076.db2.gz KQIKBCIUKCVUAH-HJWRWDBZSA-N 1 0 210.300 3.164 50 0 BGAARO C[C@@H]1CC[C@@H]2C3=C(CCCC3)CC[N@@H+]2C1 ZINC000004595177 176217839 /nfs/dbraw/zinc/21/78/39/176217839.db2.gz YOWPHHCBRMTILZ-BXUZGUMPSA-N 1 0 205.345 3.361 50 0 BGAARO C[C@H]1CC[C@@H]2C3=C(CCCC3)CC[N@@H+]2C1 ZINC000004595178 177195473 /nfs/dbraw/zinc/19/54/73/177195473.db2.gz YOWPHHCBRMTILZ-SMDDNHRTSA-N 1 0 205.345 3.361 50 0 BGAARO C[C@@H]1CC[C@H]2C3=C(CCCC3)CC[N@@H+]2C1 ZINC000004595179 176237482 /nfs/dbraw/zinc/23/74/82/176237482.db2.gz YOWPHHCBRMTILZ-RISCZKNCSA-N 1 0 205.345 3.361 50 0 BGAARO CC[NH+]1CCC(Nc2ccc(Cl)cc2)CC1 ZINC000004612736 342749683 /nfs/dbraw/zinc/74/96/83/342749683.db2.gz IZMUIBJSNGUGLL-UHFFFAOYSA-N 1 0 238.762 3.236 50 0 BGAARO c1ccc(C[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000004616709 183410703 /nfs/dbraw/zinc/41/07/03/183410703.db2.gz CACSCSLVJFTYHL-QGZVFWFLSA-N 1 0 237.346 3.160 50 0 BGAARO c1ccc(C[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000004616710 384771938 /nfs/dbraw/zinc/77/19/38/384771938.db2.gz CACSCSLVJFTYHL-KRWDZBQOSA-N 1 0 237.346 3.160 50 0 BGAARO C[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000004657474 173390703 /nfs/dbraw/zinc/39/07/03/173390703.db2.gz IAQFPBXPRHVJOS-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO Cc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004657560 342750042 /nfs/dbraw/zinc/75/00/42/342750042.db2.gz YASNPYRRQTVIKP-UHFFFAOYSA-N 1 0 229.298 3.424 50 0 BGAARO Cc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000004657617 179282945 /nfs/dbraw/zinc/28/29/45/179282945.db2.gz TZEGVBGWRZPZMT-UHFFFAOYSA-N 1 0 229.298 3.424 50 0 BGAARO CSc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000004657625 342749979 /nfs/dbraw/zinc/74/99/79/342749979.db2.gz DHRRLAAHGHNMGD-UHFFFAOYSA-N 1 0 209.358 3.297 50 0 BGAARO Cn1c([C@@H]2CCCCC[NH2+]2)cc2ccccc21 ZINC000004661744 343938330 /nfs/dbraw/zinc/93/83/30/343938330.db2.gz LHPYOUMKACYPFM-ZDUSSCGKSA-N 1 0 228.339 3.383 50 0 BGAARO Cn1c([C@H]2CCCCC[NH2+]2)cc2ccccc21 ZINC000004661745 343938302 /nfs/dbraw/zinc/93/83/02/343938302.db2.gz LHPYOUMKACYPFM-CYBMUJFWSA-N 1 0 228.339 3.383 50 0 BGAARO COc1ccc(C[NH2+]C2CCCCC2)c(OC)c1 ZINC000004661909 175106133 /nfs/dbraw/zinc/10/61/33/175106133.db2.gz LORGUVNNLNEAGO-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO c1[nH]c2ccccc2c1CCC1CC[NH2+]CC1 ZINC000004674528 384074787 /nfs/dbraw/zinc/07/47/87/384074787.db2.gz SADQVAVFGNTEOD-UHFFFAOYSA-N 1 0 228.339 3.100 50 0 investigational BGAARO CCN(Cc1ccncc1)Cc1ccccc1F ZINC000004676825 348015363 /nfs/dbraw/zinc/01/53/63/348015363.db2.gz CVCFJPUSALDQQN-UHFFFAOYSA-N 1 0 244.313 3.243 50 0 BGAARO CCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004680678 343957522 /nfs/dbraw/zinc/95/75/22/343957522.db2.gz VJVAWRRCYYEMQW-UHFFFAOYSA-N 1 0 203.329 3.235 50 0 BGAARO Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000004680814 178564874 /nfs/dbraw/zinc/56/48/74/178564874.db2.gz MFBYRXGAUMOSFM-UHFFFAOYSA-N 1 0 203.329 3.371 50 0 BGAARO Clc1ccccc1C[NH2+]C1CCCC1 ZINC000004681254 342750359 /nfs/dbraw/zinc/75/03/59/342750359.db2.gz YCUQBQVCEWRARR-UHFFFAOYSA-N 1 0 209.720 3.372 50 0 BGAARO COc1ccc(OC)c(C[NH+]2CCCCCC2)c1 ZINC000004681899 175165918 /nfs/dbraw/zinc/16/59/18/175165918.db2.gz LFGYSWPEUKSZOQ-UHFFFAOYSA-N 1 0 249.354 3.080 50 0 BGAARO Cc1ccc(C[N@@H+](C)C2CCCCC2)o1 ZINC000004682154 343958281 /nfs/dbraw/zinc/95/82/81/343958281.db2.gz QWRHNONZTZSHEP-UHFFFAOYSA-N 1 0 207.317 3.353 50 0 BGAARO CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004688968 169267243 /nfs/dbraw/zinc/26/72/43/169267243.db2.gz KOYCXIOVAMOAHI-UHFFFAOYSA-N 1 0 218.127 3.493 50 0 BGAARO CC(C)OCCC[NH2+]C/C=C/c1ccccc1 ZINC000004689001 167220714 /nfs/dbraw/zinc/22/07/14/167220714.db2.gz TWPMCVASBBEUSO-UXBLZVDNSA-N 1 0 233.355 3.105 50 0 BGAARO CCCC[N@H+](C)Cc1ccccc1OCC ZINC000004689235 343963431 /nfs/dbraw/zinc/96/34/31/343963431.db2.gz WZKAYLOPWWEBIX-UHFFFAOYSA-N 1 0 221.344 3.317 50 0 BGAARO CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000004689825 168183907 /nfs/dbraw/zinc/18/39/07/168183907.db2.gz TYDPVCNAEPKGLB-UHFFFAOYSA-N 1 0 207.292 3.058 50 0 BGAARO CCCC[N@H+](C)Cc1ccc(CC)cc1 ZINC000004690042 348020214 /nfs/dbraw/zinc/02/02/14/348020214.db2.gz AWVMBALEMUENQB-UHFFFAOYSA-N 1 0 205.345 3.481 50 0 BGAARO CCOc1ccccc1C[NH+]1CCC(C)CC1 ZINC000004691258 343964506 /nfs/dbraw/zinc/96/45/06/343964506.db2.gz NIRDGZRAHJUGNJ-UHFFFAOYSA-N 1 0 233.355 3.317 50 0 BGAARO c1ccc2c(c1)cccc2C[NH+]1CCCC1 ZINC000004695051 384171630 /nfs/dbraw/zinc/17/16/30/384171630.db2.gz FHHQIJOQAVJDQK-UHFFFAOYSA-N 1 0 211.308 3.436 50 0 BGAARO C[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004695084 346605636 /nfs/dbraw/zinc/60/56/36/346605636.db2.gz GPGAPOXPDQJNTJ-ZDUSSCGKSA-N 1 0 203.329 3.276 50 0 BGAARO C[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004695085 176665365 /nfs/dbraw/zinc/66/53/65/176665365.db2.gz GPGAPOXPDQJNTJ-CYBMUJFWSA-N 1 0 203.329 3.276 50 0 BGAARO C[C@@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000004695098 346605544 /nfs/dbraw/zinc/60/55/44/346605544.db2.gz CURGVIKWEJTIFQ-LBPRGKRZSA-N 1 0 203.329 3.322 50 0 BGAARO C[C@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000004695099 346605958 /nfs/dbraw/zinc/60/59/58/346605958.db2.gz CURGVIKWEJTIFQ-GFCCVEGCSA-N 1 0 203.329 3.322 50 0 BGAARO Cc1ccc2[nH+]c3c(c(N)c2c1)CCCCC3 ZINC000004697516 634534351 /nfs/dbraw/zinc/53/43/51/634534351.db2.gz MKSVFVUUGMOBJE-UHFFFAOYSA-N 1 0 226.323 3.394 50 0 BGAARO C(=C/c1ccccc1)\C[NH2+]Cc1ccccc1 ZINC000004699175 342750794 /nfs/dbraw/zinc/75/07/94/342750794.db2.gz RVJFXBCWUZCHPO-KPKJPENVSA-N 1 0 223.319 3.490 50 0 BGAARO CCOc1ccc(C[NH2+]C2CCCC2)cc1OC ZINC000004714856 342750970 /nfs/dbraw/zinc/75/09/70/342750970.db2.gz HIKNKIVOTIUOLG-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO CCOc1ccccc1C[NH+]1CCCCC1 ZINC000004715609 343974612 /nfs/dbraw/zinc/97/46/12/343974612.db2.gz IZBVYLXZZHDJCH-UHFFFAOYSA-N 1 0 219.328 3.071 50 0 BGAARO CSc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000004715613 342751014 /nfs/dbraw/zinc/75/10/14/342751014.db2.gz XNVSDJNPUWAVDQ-UHFFFAOYSA-N 1 0 221.369 3.441 50 0 BGAARO CC1(C)C=C(c2ccc(C=O)s2)CC(C)(C)[NH2+]1 ZINC000004718845 384078351 /nfs/dbraw/zinc/07/83/51/384078351.db2.gz SCSNIOQJNLWHLG-UHFFFAOYSA-N 1 0 249.379 3.495 50 0 BGAARO CC1(C)C[C@@](CC[NH3+])(Cc2ccccc2)CCO1 ZINC000004728665 167991348 /nfs/dbraw/zinc/99/13/48/167991348.db2.gz PIEDATHHFQLXTM-MRXNPFEDSA-N 1 0 247.382 3.153 50 0 BGAARO CC1(C)C[C@](CC[NH3+])(Cc2ccccc2)CCO1 ZINC000004728666 397925938 /nfs/dbraw/zinc/92/59/38/397925938.db2.gz PIEDATHHFQLXTM-INIZCTEOSA-N 1 0 247.382 3.153 50 0 BGAARO Cc1ccc2nc(-c3ccc(C[NH3+])cc3)oc2c1 ZINC000004736776 342751562 /nfs/dbraw/zinc/75/15/62/342751562.db2.gz VHBQFBZSMNLDCO-UHFFFAOYSA-N 1 0 238.290 3.262 50 0 BGAARO CC[n+]1ccccc1/C=C/c1ccc(OC)cc1 ZINC000004737169 187363646 /nfs/dbraw/zinc/36/36/46/187363646.db2.gz NTHQDLBETLUNMW-JXMROGBWSA-N 1 0 240.326 3.173 50 0 BGAARO COc1ccc(C[NH2+]C(C)C)c2ccccc12 ZINC000004746111 175105957 /nfs/dbraw/zinc/10/59/57/175105957.db2.gz LHCUVNNACFVGMN-UHFFFAOYSA-N 1 0 229.323 3.346 50 0 BGAARO COc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000004746112 175330508 /nfs/dbraw/zinc/33/05/08/175330508.db2.gz IUVJBOANWORKMQ-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO CC[NH+](CC)CC(=O)c1c[nH]c2cc(C)ccc12 ZINC000004764325 344195121 /nfs/dbraw/zinc/19/51/21/344195121.db2.gz PUUYXYNZNVBUAW-UHFFFAOYSA-N 1 0 244.338 3.001 50 0 BGAARO CC(C)[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004764775 344194411 /nfs/dbraw/zinc/19/44/11/344194411.db2.gz WOJVWLYVRMDBAB-HOTGVXAUSA-N 1 0 247.382 3.108 50 0 BGAARO CC(C)[C@H]1C[C@@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004764779 344194647 /nfs/dbraw/zinc/19/46/47/344194647.db2.gz WOJVWLYVRMDBAB-CVEARBPZSA-N 1 0 247.382 3.108 50 0 BGAARO CC(C)[C@@H]1C[C@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004764781 344194616 /nfs/dbraw/zinc/19/46/16/344194616.db2.gz WOJVWLYVRMDBAB-JKSUJKDBSA-N 1 0 247.382 3.108 50 0 BGAARO CC(C)[C@H]1C[C@](CC[NH3+])(c2ccccc2)CCO1 ZINC000004764782 167507221 /nfs/dbraw/zinc/50/72/21/167507221.db2.gz WOJVWLYVRMDBAB-HZPDHXFCSA-N 1 0 247.382 3.108 50 0 BGAARO CC[NH+](CC)CCOc1c(C)cccc1C ZINC000004769115 342751833 /nfs/dbraw/zinc/75/18/33/342751833.db2.gz CUPDSRNSEOOMSW-UHFFFAOYSA-N 1 0 221.344 3.024 50 0 BGAARO C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004773139 176100261 /nfs/dbraw/zinc/10/02/61/176100261.db2.gz ICMUUFNWMOFVCX-GFCCVEGCSA-N 1 0 228.339 3.400 50 0 BGAARO C[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004773141 177099674 /nfs/dbraw/zinc/09/96/74/177099674.db2.gz ICMUUFNWMOFVCX-LBPRGKRZSA-N 1 0 228.339 3.400 50 0 BGAARO CCOc1ccc(/C=C/c2cccc[n+]2C)cc1 ZINC000004774593 353708767 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/nfs/dbraw/zinc/08/36/76/384083676.db2.gz ZDHUKANJSFIXSX-INIZCTEOSA-N 1 0 247.382 3.171 50 0 BGAARO CCCC[N@H+](C)Cc1nc2ccccc2n1CC ZINC000004810344 342752742 /nfs/dbraw/zinc/75/27/42/342752742.db2.gz PXBKTGJWTRZFOW-UHFFFAOYSA-N 1 0 245.370 3.288 50 0 BGAARO CCn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000004810377 172144305 /nfs/dbraw/zinc/14/43/05/172144305.db2.gz PNYZMOWRJFSMJT-UHFFFAOYSA-N 1 0 243.354 3.042 50 0 BGAARO c1ccc(N2CC[N+](c3ccccc3)=N2)cc1 ZINC000004823039 384083814 /nfs/dbraw/zinc/08/38/14/384083814.db2.gz KOINZDXHUMPWTA-UHFFFAOYSA-N 1 0 224.287 3.218 50 0 BGAARO c1cc(OCC[NH+]2CCCCC2)cc2c1CCC2 ZINC000004840945 183370472 /nfs/dbraw/zinc/37/04/72/183370472.db2.gz CZSQLESDLFUGMM-UHFFFAOYSA-N 1 0 245.366 3.040 50 0 BGAARO Cc1ccc(SCC[NH2+]Cc2ccco2)cc1 ZINC000004840949 136208140 /nfs/dbraw/zinc/20/81/40/136208140.db2.gz QQUCTIVIJUJYPX-UHFFFAOYSA-N 1 0 247.363 3.470 50 0 BGAARO Fc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000004841377 342752951 /nfs/dbraw/zinc/75/29/51/342752951.db2.gz 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BGAARO CC1=C[C@H](C)[C@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC000004844212 168132072 /nfs/dbraw/zinc/13/20/72/168132072.db2.gz LYDDCMLXSZPXMZ-MJBXVCDLSA-N 1 0 209.377 3.470 50 0 BGAARO CC1=C[C@H](C)[C@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC000004844213 168132326 /nfs/dbraw/zinc/13/23/26/168132326.db2.gz LYDDCMLXSZPXMZ-IHRRRGAJSA-N 1 0 209.377 3.470 50 0 BGAARO Clc1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000004859459 635119422 /nfs/dbraw/zinc/11/94/22/635119422.db2.gz NKUATTPCTPEBMV-GFCCVEGCSA-N 1 0 246.741 3.275 50 0 BGAARO Clc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000004859461 635119408 /nfs/dbraw/zinc/11/94/08/635119408.db2.gz NKUATTPCTPEBMV-LBPRGKRZSA-N 1 0 246.741 3.275 50 0 BGAARO CC(C)[NH2+]CCC(=O)c1ccc(OC(C)C)cc1 ZINC000004863218 167100537 /nfs/dbraw/zinc/10/05/37/167100537.db2.gz MAAPPPDMIHIJRN-UHFFFAOYSA-N 1 0 249.354 3.045 50 0 BGAARO COc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000004868848 175120313 /nfs/dbraw/zinc/12/03/13/175120313.db2.gz CNMCMMBSTQIUHY-UHFFFAOYSA-N 1 0 239.746 3.381 50 0 BGAARO C[NH+](C)CCCOc1cccc(C(C)(C)C)c1 ZINC000004870190 384085585 /nfs/dbraw/zinc/08/55/85/384085585.db2.gz IDXVKDSNYFCQQD-UHFFFAOYSA-N 1 0 235.371 3.315 50 0 BGAARO COc1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000004891701 175330432 /nfs/dbraw/zinc/33/04/32/175330432.db2.gz PWDNPJWFVLWKHV-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OC ZINC000004891733 136208161 /nfs/dbraw/zinc/20/81/61/136208161.db2.gz YKPDYSCZQTXOCS-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO COc1ccc(C[NH2+]C2CCCC2)c(OC)c1C ZINC000004891803 175105615 /nfs/dbraw/zinc/10/56/15/175105615.db2.gz MFEGILGBQOUHLA-UHFFFAOYSA-N 1 0 249.354 3.044 50 0 BGAARO COc1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000004891808 175091439 /nfs/dbraw/zinc/09/14/39/175091439.db2.gz IVUYPDJEKVUQJW-UHFFFAOYSA-N 1 0 233.355 3.160 50 0 BGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000004891830 175112189 /nfs/dbraw/zinc/11/21/89/175112189.db2.gz DZPPROGWUHIKBN-DOMZBBRYSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000004891831 175112320 /nfs/dbraw/zinc/11/23/20/175112320.db2.gz DZPPROGWUHIKBN-WFASDCNBSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000004891833 342753782 /nfs/dbraw/zinc/75/37/82/342753782.db2.gz DZPPROGWUHIKBN-IUODEOHRSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000004891834 187757403 /nfs/dbraw/zinc/75/74/03/187757403.db2.gz DZPPROGWUHIKBN-SWLSCSKDSA-N 1 0 233.355 3.364 50 0 BGAARO Clc1ccccc1C[NH2+]Cc1ccncc1 ZINC000004897214 342754217 /nfs/dbraw/zinc/75/42/17/342754217.db2.gz SGDXBICEGHWCLB-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO Cc1ccc(C[NH2+]Cc2cccs2)s1 ZINC000004897316 342754236 /nfs/dbraw/zinc/75/42/36/342754236.db2.gz LFAPNUJMRRIHKY-UHFFFAOYSA-N 1 0 223.366 3.408 50 0 BGAARO CCC(C)(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000004906013 168305116 /nfs/dbraw/zinc/30/51/16/168305116.db2.gz DOWARIDMWQLNEP-UHFFFAOYSA-N 1 0 235.371 3.315 50 0 BGAARO Cc1cccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004906293 179167997 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/nfs/dbraw/zinc/21/11/72/178211172.db2.gz QWXYYTLLPZMARV-UHFFFAOYSA-N 1 0 221.344 3.059 50 0 BGAARO Cc1ccc(C(C)C)c(OCC[NH+](C)C)c1 ZINC000004913256 387475421 /nfs/dbraw/zinc/47/54/21/387475421.db2.gz MZPZTGNMUWMDBQ-UHFFFAOYSA-N 1 0 221.344 3.059 50 0 BGAARO C[NH+](C)CCOc1ccc(Cl)c2ccccc12 ZINC000004913526 360481055 /nfs/dbraw/zinc/48/10/55/360481055.db2.gz OKNZFNMDKOKGQX-UHFFFAOYSA-N 1 0 249.741 3.434 50 0 BGAARO C[NH+](C)CCOc1ccccc1-c1ccccc1 ZINC000004913607 387475223 /nfs/dbraw/zinc/47/52/23/387475223.db2.gz HEGXUUYKFGNKJB-UHFFFAOYSA-N 1 0 241.334 3.294 50 0 in-vivo BGAARO Cc1cc(C(C)(C)C)ccc1OCC[NH+](C)C ZINC000004915067 387474546 /nfs/dbraw/zinc/47/45/46/387474546.db2.gz FTYOSVOSXOLKLF-UHFFFAOYSA-N 1 0 235.371 3.233 50 0 BGAARO CC[C@@H](C)c1ccccc1OCC[NH+](C)C ZINC000004915306 170806159 /nfs/dbraw/zinc/80/61/59/170806159.db2.gz QAMFZHXJZVNNKV-GFCCVEGCSA-N 1 0 221.344 3.141 50 0 BGAARO CC[C@H](C)c1ccccc1OCC[NH+](C)C ZINC000004915309 387475131 /nfs/dbraw/zinc/47/51/31/387475131.db2.gz 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CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004942866 170126156 /nfs/dbraw/zinc/12/61/56/170126156.db2.gz UCXOKIBFFAIZJW-UHFFFAOYSA-N 1 0 219.259 3.195 50 0 BGAARO COc1ccc(CC[NH2+]Cc2ccsc2)cc1 ZINC000004942910 175091464 /nfs/dbraw/zinc/09/14/64/175091464.db2.gz JCINDQROGOWETK-UHFFFAOYSA-N 1 0 247.363 3.089 50 0 BGAARO C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942968 173388152 /nfs/dbraw/zinc/38/81/52/173388152.db2.gz SZGJDBGUNFAZMH-UHFFFAOYSA-N 1 0 239.677 3.459 50 0 BGAARO CC[NH+](CC)Cc1cc2ccccc2o1 ZINC000004947537 387475033 /nfs/dbraw/zinc/47/50/33/387475033.db2.gz UEAHTPIFBZPSNZ-UHFFFAOYSA-N 1 0 203.285 3.275 50 0 BGAARO COc1cc(C[NH+]2CCCCCC2)cc(OC)c1 ZINC000004947612 360480983 /nfs/dbraw/zinc/48/09/83/360480983.db2.gz BWHXTKAXAJSFNS-UHFFFAOYSA-N 1 0 249.354 3.080 50 0 BGAARO Fc1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000004977749 346608888 /nfs/dbraw/zinc/60/88/88/346608888.db2.gz LHQOJCUAIOQBLE-UHFFFAOYSA-N 1 0 225.282 3.341 50 0 BGAARO Cc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000004978466 187247430 /nfs/dbraw/zinc/24/74/30/187247430.db2.gz HVKUEIGJRZEHRS-UHFFFAOYSA-N 1 0 233.355 3.250 50 0 BGAARO Fc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000004978622 180979901 /nfs/dbraw/zinc/97/99/01/180979901.db2.gz RWPXFENCIKRJNH-UHFFFAOYSA-N 1 0 237.318 3.081 50 0 BGAARO Fc1ccccc1C[NH+]1CCCCCC1 ZINC000004978718 181012098 /nfs/dbraw/zinc/01/20/98/181012098.db2.gz BWEXQNMZSQNIDU-UHFFFAOYSA-N 1 0 207.292 3.202 50 0 BGAARO c1ccc(C[NH2+]C2CCCCCCC2)nc1 ZINC000004981410 384092987 /nfs/dbraw/zinc/09/29/87/384092987.db2.gz NWYCYCPEAUBOIC-UHFFFAOYSA-N 1 0 218.344 3.284 50 0 BGAARO CCC[NH2+][C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004981789 169273882 /nfs/dbraw/zinc/27/38/82/169273882.db2.gz XGJOECLPDPPROH-IKMFHRHGSA-N 1 0 249.398 3.160 50 0 BGAARO CCC[NH2+][C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004981790 169284797 /nfs/dbraw/zinc/28/47/97/169284797.db2.gz XGJOECLPDPPROH-UWJCENJNSA-N 1 0 249.398 3.160 50 0 BGAARO Clc1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000004985662 180583880 /nfs/dbraw/zinc/58/38/80/180583880.db2.gz LDNIMAODXAHBQJ-UHFFFAOYSA-N 1 0 239.746 3.251 50 0 BGAARO Cc1ccc(OCC[NH2+]C2CCCC2)c(C)c1 ZINC000004985749 384094667 /nfs/dbraw/zinc/09/46/67/384094667.db2.gz AGYDOYKIELHBLE-UHFFFAOYSA-N 1 0 233.355 3.214 50 0 BGAARO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000004986903 175092439 /nfs/dbraw/zinc/09/24/39/175092439.db2.gz TYKCGNAKDVLBTF-OCCSQVGLSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccc(CC[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000004986908 175092534 /nfs/dbraw/zinc/09/25/34/175092534.db2.gz TYKCGNAKDVLBTF-JSGCOSHPSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000004986912 175091231 /nfs/dbraw/zinc/09/12/31/175091231.db2.gz TYKCGNAKDVLBTF-TZMCWYRMSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000004986919 175091608 /nfs/dbraw/zinc/09/16/08/175091608.db2.gz TYKCGNAKDVLBTF-GXTWGEPZSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000004987006 175094780 /nfs/dbraw/zinc/09/47/80/175094780.db2.gz 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NTODSXRHYLDWOY-UHFFFAOYSA-N 1 0 239.746 3.123 50 0 BGAARO CC(C)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000005024329 342756807 /nfs/dbraw/zinc/75/68/07/342756807.db2.gz PCVKRJVYGVSTKV-UHFFFAOYSA-N 1 0 233.355 3.285 50 0 BGAARO CC(C)[NH2+][C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005043383 167130746 /nfs/dbraw/zinc/13/07/46/167130746.db2.gz ITAAOLAOFMHPDF-IKMFHRHGSA-N 1 0 249.398 3.158 50 0 BGAARO CC(C)[NH2+][C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005043385 167138557 /nfs/dbraw/zinc/13/85/57/167138557.db2.gz ITAAOLAOFMHPDF-UWJCENJNSA-N 1 0 249.398 3.158 50 0 BGAARO Cc1ccsc1C[NH2+]C1CCCCC1 ZINC000005051162 179547253 /nfs/dbraw/zinc/54/72/53/179547253.db2.gz NGMYCEGDKQRRPW-UHFFFAOYSA-N 1 0 209.358 3.479 50 0 BGAARO C[NH+](C)CCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000005060480 384098349 /nfs/dbraw/zinc/09/83/49/384098349.db2.gz LZXMNZWXKWSYMY-UHFFFAOYSA-N 1 0 246.137 3.128 50 0 BGAARO c1c(C[NH+]2CCCCC2)[nH]nc1C1CCCCC1 ZINC000005072876 183321472 /nfs/dbraw/zinc/32/14/72/183321472.db2.gz XKNXSIOHXSOBAB-UHFFFAOYSA-N 1 0 247.386 3.443 50 0 BGAARO Cc1ccccc1OCCC[NH+]1CCC(C)CC1 ZINC000005090987 259658557 /nfs/dbraw/zinc/65/85/57/259658557.db2.gz UBMOHPPDYHFDIO-UHFFFAOYSA-N 1 0 247.382 3.496 50 0 BGAARO Cc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000005092432 346609699 /nfs/dbraw/zinc/60/96/99/346609699.db2.gz LUZKLJOGUSUWKT-UHFFFAOYSA-N 1 0 216.328 3.186 50 0 BGAARO CC(C)C[C@H]1CCC[C@H](CC(C)C)[NH+]1CCO ZINC000005092711 384101311 /nfs/dbraw/zinc/10/13/11/384101311.db2.gz VCBVSHSBEVILBE-HUUCEWRRSA-N 1 0 241.419 3.294 50 0 BGAARO CCc1[nH+]c2c(C)cc(C)cc2c(N)c1C ZINC000005092815 643115550 /nfs/dbraw/zinc/11/55/50/643115550.db2.gz JRMOIHUYMRECFJ-UHFFFAOYSA-N 1 0 214.312 3.305 50 0 BGAARO CCc1[nH+]c2c(C)ccc(C)c2c(N)c1C ZINC000005092817 172009509 /nfs/dbraw/zinc/00/95/09/172009509.db2.gz JTGPGFDNMYYICX-UHFFFAOYSA-N 1 0 214.312 3.305 50 0 BGAARO Nc1[nH]c2cc(Sc3ccccc3)ccc2[nH+]1 ZINC000005117377 342758275 /nfs/dbraw/zinc/75/82/75/342758275.db2.gz OJDMYVLGXHUDMW-UHFFFAOYSA-N 1 0 241.319 3.296 50 0 BGAARO C[n+]1ccc(/C=C\c2ccco2)c2ccccc21 ZINC000005151406 344978867 /nfs/dbraw/zinc/97/88/67/344978867.db2.gz OMBXCGAHNKDIHY-HJWRWDBZSA-N 1 0 236.294 3.428 50 0 BGAARO CC[NH+](CC)Cc1ccc(OC)c(Cl)c1 ZINC000005151644 342759195 /nfs/dbraw/zinc/75/91/95/342759195.db2.gz KKQKOCCRHWUYJT-UHFFFAOYSA-N 1 0 227.735 3.190 50 0 BGAARO CC(C)(C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000005158785 342758942 /nfs/dbraw/zinc/75/89/42/342758942.db2.gz ZJVJIBTYRQHKDO-UHFFFAOYSA-N 1 0 202.301 3.056 50 0 BGAARO C[n+]1ccc(/C=C\c2c[nH]c3ccccc23)cc1 ZINC000005159007 342759105 /nfs/dbraw/zinc/75/91/05/342759105.db2.gz REPRLCRXMJXHAW-UHFFFAOYSA-O 1 0 235.310 3.163 50 0 in-vitro BGAARO CC(C)[NH2+]Cc1csc2nc3ccccc3n12 ZINC000005177219 345798310 /nfs/dbraw/zinc/79/83/10/345798310.db2.gz GSOHUVLKGBSJRI-UHFFFAOYSA-N 1 0 245.351 3.047 50 0 BGAARO [NH3+]Cc1csc2ccc(Br)cc12 ZINC000005177616 181496743 /nfs/dbraw/zinc/49/67/43/181496743.db2.gz DVYWOASQESEKEC-UHFFFAOYSA-N 1 0 242.141 3.123 50 0 in-vitro BGAARO Cc1cc[n+](C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005212387 178309389 /nfs/dbraw/zinc/30/93/89/178309389.db2.gz MEWBQCYUIRFTJK-UHFFFAOYSA-N 1 0 228.359 3.208 50 0 BGAARO C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000005235720 384107411 /nfs/dbraw/zinc/10/74/11/384107411.db2.gz OSBRASOCYMAZJL-MRXNPFEDSA-N 1 0 241.334 3.198 50 0 BGAARO Oc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000005286507 183276520 /nfs/dbraw/zinc/27/65/20/183276520.db2.gz UNABYEWLYJWLCJ-UHFFFAOYSA-N 1 0 225.251 3.012 50 0 BGAARO CCCN1c2cc(C)c(C)cc2N2CCC[NH+]=C12 ZINC000005310591 169185235 /nfs/dbraw/zinc/18/52/35/169185235.db2.gz REZISAHEWXNUJN-UHFFFAOYSA-N 1 0 243.354 3.100 50 0 BGAARO CC[NH+](CC)CC(=O)c1c[nH]c2cccc(C)c12 ZINC000005311453 346264371 /nfs/dbraw/zinc/26/43/71/346264371.db2.gz CIWLBMQHRIXURD-UHFFFAOYSA-N 1 0 244.338 3.001 50 0 BGAARO C[NH+](C)CCCNc1cccc2ccccc21 ZINC000005317545 384109747 /nfs/dbraw/zinc/10/97/47/384109747.db2.gz UXKSOKMNCZEVNT-UHFFFAOYSA-N 1 0 228.339 3.203 50 0 BGAARO CC(C)(C)c1ccc(C[NH2+]C2CC2)cc1 ZINC000005355444 342762461 /nfs/dbraw/zinc/76/24/61/342762461.db2.gz WOEIDUGAOYDNPF-UHFFFAOYSA-N 1 0 203.329 3.236 50 0 BGAARO C[NH2+]C(C)(C)Cc1c2c(cc3c1CCC3)CCC2 ZINC000005383931 173320514 /nfs/dbraw/zinc/32/05/14/173320514.db2.gz SHYMBVCIXLZRKP-UHFFFAOYSA-N 1 0 243.394 3.205 50 0 BGAARO Cc1ccc(-[n+]2c(C)cc(C)cc2C)cc1 ZINC000005416884 178316153 /nfs/dbraw/zinc/31/61/53/178316153.db2.gz VGMXIQYAFZZWME-UHFFFAOYSA-N 1 0 212.316 3.197 50 0 BGAARO Cc1cc(C)[n+](-c2ccccc2C)c(C)c1 ZINC000005422896 385030167 /nfs/dbraw/zinc/03/01/67/385030167.db2.gz YKMDLXMHVWKJJG-UHFFFAOYSA-N 1 0 212.316 3.197 50 0 BGAARO CC(C)[NH2+][C@H](C)c1c[nH]c2ccccc21 ZINC000005456120 167138782 /nfs/dbraw/zinc/13/87/82/167138782.db2.gz XQWQVJRSFNDGOD-SNVBAGLBSA-N 1 0 202.301 3.227 50 0 BGAARO CCC[N@@H+](Cc1ccccc1OC)CC1CC1 ZINC000005468319 169178488 /nfs/dbraw/zinc/17/84/88/169178488.db2.gz YLRNUAGIIGBAAT-UHFFFAOYSA-N 1 0 233.355 3.317 50 0 BGAARO CCc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000005477320 342687212 /nfs/dbraw/zinc/68/72/12/342687212.db2.gz HHFHKCUQTBJPMF-UHFFFAOYSA-N 1 0 235.371 3.360 50 0 BGAARO C[N@H+]1[C@@H]2CCCC[C@@H]2S[C@H]2CCCC[C@@H]21 ZINC000005478186 173205449 /nfs/dbraw/zinc/20/54/49/173205449.db2.gz LMQISICJISWBIV-RNJOBUHISA-N 1 0 225.401 3.287 50 0 BGAARO C[N@H+]1[C@@H]2CCCC[C@H]2S[C@H]2CCCC[C@@H]21 ZINC000005478188 173205298 /nfs/dbraw/zinc/20/52/98/173205298.db2.gz LMQISICJISWBIV-MPZDIEGVSA-N 1 0 225.401 3.287 50 0 BGAARO [NH3+]CCCCOc1ccccc1-c1ccccc1 ZINC000005491174 181378655 /nfs/dbraw/zinc/37/86/55/181378655.db2.gz LDGODDJVNYTZPI-UHFFFAOYSA-N 1 0 241.334 3.471 50 0 BGAARO CC1CCN(c2nccc3ccccc32)CC1 ZINC000005500902 132317640 /nfs/dbraw/zinc/31/76/40/132317640.db2.gz GVTVSOPGEBEKSM-UHFFFAOYSA-N 1 0 226.323 3.471 50 0 BGAARO CC[NH+](CC)[C@@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000005509485 169794929 /nfs/dbraw/zinc/79/49/29/169794929.db2.gz SSILMDXULHDIJC-NSHDSACASA-N 1 0 244.338 3.081 50 0 BGAARO C[N@@H+]1[C@@H]2CCCC[C@H]2S[C@H]2CCCC[C@H]21 ZINC000005510236 173205497 /nfs/dbraw/zinc/20/54/97/173205497.db2.gz LMQISICJISWBIV-LPWJVIDDSA-N 1 0 225.401 3.287 50 0 BGAARO CCc1c2cc(C)ccc2n2c1[C@H](C)[NH2+]CC2 ZINC000005529322 346266273 /nfs/dbraw/zinc/26/62/73/346266273.db2.gz NBEWIUGRGMDDCU-NSHDSACASA-N 1 0 228.339 3.176 50 0 BGAARO CCc1c2cc(C)ccc2n2c1[C@@H](C)[NH2+]CC2 ZINC000005529324 346247030 /nfs/dbraw/zinc/24/70/30/346247030.db2.gz NBEWIUGRGMDDCU-LLVKDONJSA-N 1 0 228.339 3.176 50 0 BGAARO Cc1cc(C)cc(OCCC[NH+]2CCCC2)c1 ZINC000005535149 256775207 /nfs/dbraw/zinc/77/52/07/256775207.db2.gz GKZDTIGZKCJXKR-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO Cc1ccc(OCCC[NH2+]C(C)(C)C)c(C)c1 ZINC000005538633 342783790 /nfs/dbraw/zinc/78/37/90/342783790.db2.gz XXGMDESEVTXHAQ-UHFFFAOYSA-N 1 0 235.371 3.460 50 0 BGAARO CCC[NH+](CCC)c1ccc(N)c(C)c1 ZINC000005544040 169152956 /nfs/dbraw/zinc/15/29/56/169152956.db2.gz XSXCCANDKMEUKH-UHFFFAOYSA-N 1 0 206.333 3.204 50 0 BGAARO C[NH2+]Cc1ccccc1Sc1ccccc1O ZINC000005558008 346267516 /nfs/dbraw/zinc/26/75/16/346267516.db2.gz YIPLSBPSRHIJJL-UHFFFAOYSA-N 1 0 245.347 3.263 50 0 BGAARO CCC[C@]1(c2cccc(OC)c2)C[C@H](C)[N@H+](C)C1 ZINC000005560985 342765872 /nfs/dbraw/zinc/76/58/72/342765872.db2.gz FQHBZOZTHKHSBP-BBRMVZONSA-N 1 0 247.382 3.457 50 0 BGAARO CCC[C@]1(c2cccc(OC)c2)C[C@@H](C)[N@H+](C)C1 ZINC000005560988 342765954 /nfs/dbraw/zinc/76/59/54/342765954.db2.gz FQHBZOZTHKHSBP-CJNGLKHVSA-N 1 0 247.382 3.457 50 0 BGAARO CCC[C@@]1(c2cccc(OC)c2)C[C@H](C)[N@H+](C)C1 ZINC000005561346 384121828 /nfs/dbraw/zinc/12/18/28/384121828.db2.gz FQHBZOZTHKHSBP-XJKSGUPXSA-N 1 0 247.382 3.457 50 0 BGAARO c1ccc(CCC[NH2+]Cc2ccccc2)cc1 ZINC000005603012 183392160 /nfs/dbraw/zinc/39/21/60/183392160.db2.gz XRCSAAZENFFHRX-UHFFFAOYSA-N 1 0 225.335 3.409 50 0 BGAARO CC(C)C[C@H]1CCC[C@@H](CC(C)C)[N@@H+]1CCO ZINC000005633021 187247909 /nfs/dbraw/zinc/24/79/09/187247909.db2.gz VCBVSHSBEVILBE-GASCZTMLSA-N 1 0 241.419 3.294 50 0 BGAARO CC(C)C[C@@H]1CCC[C@@H](CC(C)C)[NH+]1CCO ZINC000005633022 384124125 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RURREPNEOOEPIS-UHFFFAOYSA-N 1 0 226.343 3.451 50 0 BGAARO C[n+]1c(/C=C/c2ccco2)sc2ccccc21 ZINC000005677340 190975651 /nfs/dbraw/zinc/97/56/51/190975651.db2.gz NZBPULIVTKSHRJ-CMDGGOBGSA-N 1 0 242.323 3.489 50 0 BGAARO [NH3+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000005678089 342768488 /nfs/dbraw/zinc/76/84/88/342768488.db2.gz BWLLTVHXDXVUIQ-SNVBAGLBSA-N 1 0 220.703 3.157 50 0 BGAARO [NH3+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000005678093 342768442 /nfs/dbraw/zinc/76/84/42/342768442.db2.gz BWLLTVHXDXVUIQ-JTQLQIEISA-N 1 0 220.703 3.157 50 0 BGAARO c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000005683164 188102649 /nfs/dbraw/zinc/10/26/49/188102649.db2.gz APMIVLNIMAIKCO-AWEZNQCLSA-N 1 0 201.313 3.133 50 0 BGAARO c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000005683167 342768400 /nfs/dbraw/zinc/76/84/00/342768400.db2.gz APMIVLNIMAIKCO-CQSZACIVSA-N 1 0 201.313 3.133 50 0 BGAARO Cc1cc(Cl)ccc1OCC[NH+]1CCCC1 ZINC000005697876 346917527 /nfs/dbraw/zinc/91/75/27/346917527.db2.gz BAIMLFQMXNAUEQ-UHFFFAOYSA-N 1 0 239.746 3.123 50 0 BGAARO Cc1cc[n+](Cc2ccccc2)c2ccccc12 ZINC000005697981 178309423 /nfs/dbraw/zinc/30/94/23/178309423.db2.gz JMFPWQSTTDXWOM-UHFFFAOYSA-N 1 0 234.322 3.484 50 0 BGAARO CCCC[NH2+]CCOc1cc(C)cc(C)c1 ZINC000005707643 168866587 /nfs/dbraw/zinc/86/65/87/168866587.db2.gz COAQZRZTNMPOHP-UHFFFAOYSA-N 1 0 221.344 3.072 50 0 BGAARO C[NH2+][C@@H](C[C@H](O)c1ccccc1)c1ccccc1 ZINC000005719805 347030562 /nfs/dbraw/zinc/03/05/62/347030562.db2.gz PHQDHIFDBPWWJN-HOTGVXAUSA-N 1 0 241.334 3.071 50 0 BGAARO C[NH2+][C@@H](C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000005719806 347030814 /nfs/dbraw/zinc/03/08/14/347030814.db2.gz PHQDHIFDBPWWJN-JKSUJKDBSA-N 1 0 241.334 3.071 50 0 BGAARO C[NH2+][C@H](C[C@H](O)c1ccccc1)c1ccccc1 ZINC000005719811 347031094 /nfs/dbraw/zinc/03/10/94/347031094.db2.gz PHQDHIFDBPWWJN-CVEARBPZSA-N 1 0 241.334 3.071 50 0 BGAARO C[NH2+][C@H](C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000005719812 347030947 /nfs/dbraw/zinc/03/09/47/347030947.db2.gz PHQDHIFDBPWWJN-HZPDHXFCSA-N 1 0 241.334 3.071 50 0 BGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000005720768 176074142 /nfs/dbraw/zinc/07/41/42/176074142.db2.gz GJJRFHPCKPHDSV-SNVBAGLBSA-N 1 0 224.735 3.109 50 0 BGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000005721111 177076119 /nfs/dbraw/zinc/07/61/19/177076119.db2.gz GJJRFHPCKPHDSV-JTQLQIEISA-N 1 0 224.735 3.109 50 0 BGAARO Cc1cc(C)c2c(=O)[nH]n(C3CCCCC3)c2n1 ZINC000005730385 397867593 /nfs/dbraw/zinc/86/75/93/397867593.db2.gz RVTSQROEHSKZIG-UHFFFAOYSA-N 1 0 245.326 3.259 50 0 BGAARO C[C@@H]1CC[C@H](c2c[nH]c3ccccc23)[N@@H+]1C ZINC000005735735 176235365 /nfs/dbraw/zinc/23/53/65/176235365.db2.gz LQPZPKOXKQFSPK-QMTHXVAHSA-N 1 0 214.312 3.323 50 0 BGAARO C[C@@H]1CC[C@@H](c2c[nH]c3ccccc32)[N@@H+]1C ZINC000005735763 176215410 /nfs/dbraw/zinc/21/54/10/176215410.db2.gz LQPZPKOXKQFSPK-YGRLFVJLSA-N 1 0 214.312 3.323 50 0 BGAARO C[NH2+][C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000005741679 384127925 /nfs/dbraw/zinc/12/79/25/384127925.db2.gz FFYIAWRBSOCSOM-INIZCTEOSA-N 1 0 236.318 3.477 50 0 BGAARO C[NH2+][C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000005741690 384127452 /nfs/dbraw/zinc/12/74/52/384127452.db2.gz FFYIAWRBSOCSOM-MRXNPFEDSA-N 1 0 236.318 3.477 50 0 BGAARO C[C@H]1CC[C@H](c2c[nH]c3ccccc23)[N@@H+]1C ZINC000005752013 177206018 /nfs/dbraw/zinc/20/60/18/177206018.db2.gz LQPZPKOXKQFSPK-IINYFYTJSA-N 1 0 214.312 3.323 50 0 BGAARO C[C@H]1CC[C@@H](c2c[nH]c3ccccc23)[N@@H+]1C ZINC000005752036 177194584 /nfs/dbraw/zinc/19/45/84/177194584.db2.gz LQPZPKOXKQFSPK-HZMBPMFUSA-N 1 0 214.312 3.323 50 0 BGAARO [NH3+]Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000005763062 384129417 /nfs/dbraw/zinc/12/94/17/384129417.db2.gz ZQIQUBLIBQYSLO-UHFFFAOYSA-N 1 0 217.699 3.466 50 0 BGAARO [NH3+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000005763214 181487975 /nfs/dbraw/zinc/48/79/75/181487975.db2.gz ACEYSDJWHIIOJE-UHFFFAOYSA-N 1 0 217.699 3.466 50 0 BGAARO [NH3+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000005763422 384130826 /nfs/dbraw/zinc/13/08/26/384130826.db2.gz PYUKPZBUJCFYRQ-UHFFFAOYSA-N 1 0 217.699 3.466 50 0 BGAARO [NH3+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000005764197 190975179 /nfs/dbraw/zinc/97/51/79/190975179.db2.gz CCKHPQSDPSPFSQ-UHFFFAOYSA-N 1 0 217.699 3.466 50 0 BGAARO [NH3+]Cc1ccc(-c2ccccc2Cl)cc1 ZINC000005766911 384130738 /nfs/dbraw/zinc/13/07/38/384130738.db2.gz GYHAMZMWZUSNMQ-UHFFFAOYSA-N 1 0 217.699 3.466 50 0 BGAARO Cc1cccc(-[n+]2c(C)cc(C)cc2C)c1 ZINC000005796262 346630550 /nfs/dbraw/zinc/63/05/50/346630550.db2.gz CSPJNVOTNJSEGG-UHFFFAOYSA-N 1 0 212.316 3.197 50 0 BGAARO COc1ccc(NC2=[NH+]CCCCC2)c(OC)c1 ZINC000005798377 175149418 /nfs/dbraw/zinc/14/94/18/175149418.db2.gz DVOODZULHKBZJS-UHFFFAOYSA-N 1 0 248.326 3.088 50 0 BGAARO CC(C)(C)[NH2+]Cc1c(F)cccc1Cl ZINC000005817167 384132615 /nfs/dbraw/zinc/13/26/15/384132615.db2.gz SGLUTFJIKSAWGL-UHFFFAOYSA-N 1 0 215.699 3.367 50 0 BGAARO CC(C)(C)[NH2+]Cc1ccc(Br)cc1 ZINC000005817171 384133286 /nfs/dbraw/zinc/13/32/86/384133286.db2.gz GCAXLMOUEUKSNT-UHFFFAOYSA-N 1 0 242.160 3.337 50 0 BGAARO CC(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000005817173 384132270 /nfs/dbraw/zinc/13/22/70/384132270.db2.gz WFZPSZJEHGCKDJ-UHFFFAOYSA-N 1 0 242.160 3.337 50 0 BGAARO CC(C)C[NH2+]Cc1c(F)cccc1Cl ZINC000005817282 167008569 /nfs/dbraw/zinc/00/85/69/167008569.db2.gz GTGYWKNSRXWUPA-UHFFFAOYSA-N 1 0 215.699 3.225 50 0 BGAARO CC(C)C[NH2+]Cc1ccc(Br)cc1 ZINC000005817287 167008669 /nfs/dbraw/zinc/00/86/69/167008669.db2.gz ZAZUAQYXVDICRO-UHFFFAOYSA-N 1 0 242.160 3.195 50 0 BGAARO CC(C)C[NH2+]Cc1cccc(Br)c1 ZINC000005817296 167009751 /nfs/dbraw/zinc/00/97/51/167009751.db2.gz OZSYRXACIOOTAA-UHFFFAOYSA-N 1 0 242.160 3.195 50 0 BGAARO CC(C)c1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000005822565 342770731 /nfs/dbraw/zinc/77/07/31/342770731.db2.gz QYKOHSFAFQBWDF-UHFFFAOYSA-N 1 0 240.350 3.495 50 0 BGAARO CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000005831694 187929324 /nfs/dbraw/zinc/92/93/24/187929324.db2.gz OPZAFPVCLPRIHI-HNNXBMFYSA-N 1 0 247.382 3.253 50 0 BGAARO CC(C)(C)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000005831699 188103263 /nfs/dbraw/zinc/10/32/63/188103263.db2.gz OPZAFPVCLPRIHI-OAHLLOKOSA-N 1 0 247.382 3.253 50 0 BGAARO CCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000005906464 384138348 /nfs/dbraw/zinc/13/83/48/384138348.db2.gz UCHQYJBTUODVRI-UHFFFAOYSA-N 1 0 219.328 3.118 50 0 BGAARO CCOc1ccccc1C[NH2+]C1CCCC1 ZINC000005907037 384137864 /nfs/dbraw/zinc/13/78/64/384137864.db2.gz DQFPACWSBFLSDG-UHFFFAOYSA-N 1 0 219.328 3.118 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000005907265 188102680 /nfs/dbraw/zinc/10/26/80/188102680.db2.gz JDYILQXGOTUZQF-MRVPVSSYSA-N 1 0 215.699 3.367 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000005907274 188277290 /nfs/dbraw/zinc/27/72/90/188277290.db2.gz BBPAAXNPAVJXOD-SECBINFHSA-N 1 0 242.160 3.337 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000005907292 384138439 /nfs/dbraw/zinc/13/84/39/384138439.db2.gz PIKQKBKACWXYHW-SECBINFHSA-N 1 0 242.160 3.337 50 0 BGAARO CC[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000005907910 171341977 /nfs/dbraw/zinc/34/19/77/171341977.db2.gz JDYILQXGOTUZQF-QMMMGPOBSA-N 1 0 215.699 3.367 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000005907919 171342903 /nfs/dbraw/zinc/34/29/03/171342903.db2.gz BBPAAXNPAVJXOD-VIFPVBQESA-N 1 0 242.160 3.337 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000005907933 171342699 /nfs/dbraw/zinc/34/26/99/171342699.db2.gz PIKQKBKACWXYHW-VIFPVBQESA-N 1 0 242.160 3.337 50 0 BGAARO C[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000005910029 173389009 /nfs/dbraw/zinc/38/90/09/173389009.db2.gz TUBYPRWSBDQWQL-UHFFFAOYSA-N 1 0 233.336 3.047 50 0 BGAARO C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000005910033 173389895 /nfs/dbraw/zinc/38/98/95/173389895.db2.gz MKVRXLVESFDQMH-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000005910038 173389955 /nfs/dbraw/zinc/38/99/55/173389955.db2.gz ACLKXRCNQFOTLN-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000005910045 173390217 /nfs/dbraw/zinc/39/02/17/173390217.db2.gz JUVFMSVZORZASG-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO [NH3+]CCc1c2ccccc2[nH]c1-c1cccs1 ZINC000005948679 635293169 /nfs/dbraw/zinc/29/31/69/635293169.db2.gz HTHIIIQAAPDMOM-UHFFFAOYSA-N 1 0 242.347 3.398 50 0 BGAARO CC(C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000005962953 167118246 /nfs/dbraw/zinc/11/82/46/167118246.db2.gz YVDKKMRWSYZNRS-UHFFFAOYSA-N 1 0 217.234 3.203 50 0 BGAARO Cc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000005968386 178616771 /nfs/dbraw/zinc/61/67/71/178616771.db2.gz JZGWNZOPMPEKGB-UHFFFAOYSA-N 1 0 217.337 3.346 50 0 BGAARO CCCC[NH2+]Cc1ccc(Br)cc1 ZINC000005973575 384141157 /nfs/dbraw/zinc/14/11/57/384141157.db2.gz MCNOIXPMJHKLAK-UHFFFAOYSA-N 1 0 242.160 3.339 50 0 BGAARO CCCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000005973577 168870345 /nfs/dbraw/zinc/87/03/45/168870345.db2.gz KHEIIOKZZHNQIA-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCC[NH2+]Cc1cccc(Br)c1 ZINC000005973580 384141058 /nfs/dbraw/zinc/14/10/58/384141058.db2.gz WBAYBKZTZNUUAS-UHFFFAOYSA-N 1 0 242.160 3.339 50 0 BGAARO CCCC[NH2+]Cc1ccccc1Br ZINC000005973589 384141382 /nfs/dbraw/zinc/14/13/82/384141382.db2.gz KZVDERULQMGZSD-UHFFFAOYSA-N 1 0 242.160 3.339 50 0 BGAARO Cc1ccsc1C[NH2+]Cc1cccs1 ZINC000005982101 179549576 /nfs/dbraw/zinc/54/95/76/179549576.db2.gz FSWWVZKCKOEAAY-UHFFFAOYSA-N 1 0 223.366 3.408 50 0 BGAARO C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000005996308 173343287 /nfs/dbraw/zinc/34/32/87/173343287.db2.gz AKEGHAUFMKCWGX-UHFFFAOYSA-N 1 0 225.335 3.428 50 0 in-vivo BGAARO COc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000006006451 342772508 /nfs/dbraw/zinc/77/25/08/342772508.db2.gz ZRWMERDKELPFPX-ZDUSSCGKSA-N 1 0 231.339 3.141 50 0 BGAARO COc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000006006456 175107485 /nfs/dbraw/zinc/10/74/85/175107485.db2.gz ZRWMERDKELPFPX-CYBMUJFWSA-N 1 0 231.339 3.141 50 0 BGAARO Cc1ccccc1O[C@@H](CC[NH3+])c1ccccc1 ZINC000006071931 179312899 /nfs/dbraw/zinc/31/28/99/179312899.db2.gz QEXPFYRHIYKWEW-INIZCTEOSA-N 1 0 241.334 3.464 50 0 in-vitro BGAARO Cc1ccccc1O[C@H](CC[NH3+])c1ccccc1 ZINC000006071932 179314527 /nfs/dbraw/zinc/31/45/27/179314527.db2.gz QEXPFYRHIYKWEW-MRXNPFEDSA-N 1 0 241.334 3.464 50 0 in-vitro BGAARO COc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000006086264 187249003 /nfs/dbraw/zinc/24/90/03/187249003.db2.gz QVQHJJURPZLHBG-UHFFFAOYSA-N 1 0 233.355 3.365 50 0 BGAARO [NH3+][C@H](CCc1ccccc1)c1ccccc1 ZINC000006096231 342773547 /nfs/dbraw/zinc/77/35/47/342773547.db2.gz ABMVTYGGTMHHTN-OAHLLOKOSA-N 1 0 211.308 3.319 50 0 BGAARO c1ccc([C@@]23CCCC[C@@H]2CCC[NH2+]3)cc1 ZINC000006116353 398308371 /nfs/dbraw/zinc/30/83/71/398308371.db2.gz QEXADSRMRUUCQJ-CABCVRRESA-N 1 0 215.340 3.456 50 0 BGAARO c1ccc([C@@]23CCCC[C@H]2CCC[NH2+]3)cc1 ZINC000006116354 183430513 /nfs/dbraw/zinc/43/05/13/183430513.db2.gz QEXADSRMRUUCQJ-GJZGRUSLSA-N 1 0 215.340 3.456 50 0 BGAARO c1ccc([C@]23CCCC[C@H]2CCC[NH2+]3)cc1 ZINC000006116555 183434418 /nfs/dbraw/zinc/43/44/18/183434418.db2.gz QEXADSRMRUUCQJ-LSDHHAIUSA-N 1 0 215.340 3.456 50 0 BGAARO [NH3+]Cc1ccc(-c2nc3ccccc3s2)cc1 ZINC000006252922 181480106 /nfs/dbraw/zinc/48/01/06/181480106.db2.gz YOAAMMPAUQNJOV-UHFFFAOYSA-N 1 0 240.331 3.422 50 0 BGAARO CCCCCC[NH2+]Cc1ccc(F)cc1 ZINC000006308545 168668123 /nfs/dbraw/zinc/66/81/23/168668123.db2.gz WGXHQYXULSKOLA-UHFFFAOYSA-N 1 0 209.308 3.496 50 0 BGAARO CCCCC[NH2+]Cc1ccccc1OCC ZINC000006320635 342776541 /nfs/dbraw/zinc/77/65/41/342776541.db2.gz UTURDUSLTWROEF-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000006326204 170125215 /nfs/dbraw/zinc/12/52/15/170125215.db2.gz IDOWCDJFPGJDDD-UHFFFAOYSA-N 1 0 234.126 3.112 50 0 BGAARO CNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000006378971 384151172 /nfs/dbraw/zinc/15/11/72/384151172.db2.gz OBXGPCSAPSCKID-UHFFFAOYSA-N 1 0 212.296 3.155 50 0 BGAARO C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000006379211 385227244 /nfs/dbraw/zinc/22/72/44/385227244.db2.gz SUSKTXKWMJMRQW-UHFFFAOYSA-N 1 0 229.298 3.458 50 0 BGAARO CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000006380467 169265824 /nfs/dbraw/zinc/26/58/24/169265824.db2.gz RWUWXULYALWAGV-UHFFFAOYSA-N 1 0 218.127 3.493 50 0 BGAARO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000006380470 169265733 /nfs/dbraw/zinc/26/57/33/169265733.db2.gz HVFOYCRLGUUJIF-UHFFFAOYSA-N 1 0 218.127 3.493 50 0 BGAARO CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000006380484 169266952 /nfs/dbraw/zinc/26/69/52/169266952.db2.gz HFUMKYDRGJLTFH-UHFFFAOYSA-N 1 0 218.127 3.493 50 0 BGAARO CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000006380485 169266760 /nfs/dbraw/zinc/26/67/60/169266760.db2.gz NJEYGHMYVJIQIW-UHFFFAOYSA-N 1 0 217.234 3.205 50 0 BGAARO CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000006380493 169268319 /nfs/dbraw/zinc/26/83/19/169268319.db2.gz CPXTUPBVFMKPOF-UHFFFAOYSA-N 1 0 217.234 3.205 50 0 BGAARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cn2ccccc2n1 ZINC000006382358 177117147 /nfs/dbraw/zinc/11/71/47/177117147.db2.gz HRBWIKJSRGDWHM-BETUJISGSA-N 1 0 243.354 3.097 50 0 BGAARO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cn2ccccc2n1 ZINC000006382459 176116542 /nfs/dbraw/zinc/11/65/42/176116542.db2.gz HRBWIKJSRGDWHM-CHWSQXEVSA-N 1 0 243.354 3.097 50 0 BGAARO C[C@H]1CCC[C@H](C)[NH+]1Cc1cn2ccccc2n1 ZINC000006383302 177132676 /nfs/dbraw/zinc/13/26/76/177132676.db2.gz HRBWIKJSRGDWHM-STQMWFEESA-N 1 0 243.354 3.097 50 0 BGAARO CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000006385331 170124628 /nfs/dbraw/zinc/12/46/28/170124628.db2.gz GZZHVOMTEZNXOE-UHFFFAOYSA-N 1 0 204.100 3.103 50 0 BGAARO CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000006385338 170126774 /nfs/dbraw/zinc/12/67/74/170126774.db2.gz DHWBKVYXMBSPIM-UHFFFAOYSA-N 1 0 204.100 3.103 50 0 BGAARO CCCCCC[NH2+]Cc1ccccc1OC ZINC000006427160 342777790 /nfs/dbraw/zinc/77/77/90/342777790.db2.gz FHSBWLNCEQKAIN-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCCC[NH2+]C/C=C/c1ccccc1 ZINC000006427657 342777724 /nfs/dbraw/zinc/77/77/24/342777724.db2.gz NZIOPUSEUINROW-DHZHZOJOSA-N 1 0 203.329 3.480 50 0 BGAARO CCCCC[NH2+]Cc1ccc(OCC)cc1 ZINC000006427732 342777791 /nfs/dbraw/zinc/77/77/91/342777791.db2.gz KLEDFQBHRJWAKS-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO C[C@@H](c1ccc(Br)cc1)[NH+](C)C ZINC000006487606 176013168 /nfs/dbraw/zinc/01/31/68/176013168.db2.gz YUNJWUBNQZOPRY-QMMMGPOBSA-N 1 0 228.133 3.072 50 0 BGAARO OCC[N@@H+](Cc1ccccc1)CC1CCCCC1 ZINC000006492157 183070164 /nfs/dbraw/zinc/07/01/64/183070164.db2.gz RZWUHDHJWWDPDK-UHFFFAOYSA-N 1 0 247.382 3.061 50 0 BGAARO CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006497336 170128104 /nfs/dbraw/zinc/12/81/04/170128104.db2.gz ZQUAZAUDJKEWPR-UHFFFAOYSA-N 1 0 241.334 3.375 50 0 BGAARO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000006509850 168391393 /nfs/dbraw/zinc/39/13/93/168391393.db2.gz OMCNJYFYPBFCHD-LBPRGKRZSA-N 1 0 248.370 3.100 50 0 BGAARO CCC(CC)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000006509851 168392645 /nfs/dbraw/zinc/39/26/45/168392645.db2.gz OMCNJYFYPBFCHD-GFCCVEGCSA-N 1 0 248.370 3.100 50 0 BGAARO C(=C/c1ccccc1)\C[NH2+]C1CCCC1 ZINC000006529043 384156714 /nfs/dbraw/zinc/15/67/14/384156714.db2.gz VAYFRYMBJFBVKQ-RMKNXTFCSA-N 1 0 201.313 3.232 50 0 BGAARO O=[N+](/C=C/N(O)c1ccccc1)c1ccccc1 ZINC000006529766 359905299 /nfs/dbraw/zinc/90/52/99/359905299.db2.gz PCKNDIROCAMKKV-VAWYXSNFSA-N 1 0 241.270 3.464 50 0 BGAARO COc1cccc(Sc2ccccc2C[NH3+])c1 ZINC000006556107 175285785 /nfs/dbraw/zinc/28/57/85/175285785.db2.gz KIMUCHUGRRISTA-UHFFFAOYSA-N 1 0 245.347 3.305 50 0 BGAARO Cc1ccc(C[NH2+]C[C@H]2C=CCCC2)cc1 ZINC000006560684 360131016 /nfs/dbraw/zinc/13/10/16/360131016.db2.gz KSIFBPMWDZCRRC-AWEZNQCLSA-N 1 0 215.340 3.441 50 0 BGAARO Cc1ccc(C[NH2+]C[C@@H]2C=CCCC2)cc1 ZINC000006560686 360130614 /nfs/dbraw/zinc/13/06/14/360130614.db2.gz KSIFBPMWDZCRRC-CQSZACIVSA-N 1 0 215.340 3.441 50 0 BGAARO c1ccc2cc(C[C@H]3CCC[NH2+]3)ccc2c1 ZINC000006576611 384157958 /nfs/dbraw/zinc/15/79/58/384157958.db2.gz WYUUOCBNKQDCRG-OAHLLOKOSA-N 1 0 211.308 3.134 50 0 BGAARO Cc1ccc(C[NH2+]Cc2ccc(C)cc2)o1 ZINC000006600482 342779784 /nfs/dbraw/zinc/77/97/84/342779784.db2.gz KGJLUDYDZNOVNW-UHFFFAOYSA-N 1 0 215.296 3.186 50 0 BGAARO C[NH+](C)Cc1ccccc1Oc1cccc(O)c1 ZINC000006637823 349508072 /nfs/dbraw/zinc/50/80/72/349508072.db2.gz CEKKVKHPFKKLRF-UHFFFAOYSA-N 1 0 243.306 3.246 50 0 BGAARO C[NH2+]CC1c2ccccc2CCc2ccccc21 ZINC000006639565 173338698 /nfs/dbraw/zinc/33/86/98/173338698.db2.gz KRGZWDPNVIINFY-UHFFFAOYSA-N 1 0 237.346 3.137 50 0 BGAARO CC(C)[C@@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000006645474 167390070 /nfs/dbraw/zinc/39/00/70/167390070.db2.gz XLAJWRHAMNVGTC-GFCCVEGCSA-N 1 0 211.736 3.428 50 0 BGAARO CC(C)[C@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000006645475 384160290 /nfs/dbraw/zinc/16/02/90/384160290.db2.gz XLAJWRHAMNVGTC-LBPRGKRZSA-N 1 0 211.736 3.428 50 0 BGAARO c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000006650873 384160156 /nfs/dbraw/zinc/16/01/56/384160156.db2.gz KARSJEQFQOBUHO-UHFFFAOYSA-N 1 0 203.329 3.499 50 0 BGAARO CCOCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000006651031 170382503 /nfs/dbraw/zinc/38/25/03/170382503.db2.gz VWPDFPJVRWAPBU-QWHCGFSZSA-N 1 0 227.392 3.217 50 0 BGAARO CCOCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000006651034 170383080 /nfs/dbraw/zinc/38/30/80/170383080.db2.gz VWPDFPJVRWAPBU-STQMWFEESA-N 1 0 227.392 3.217 50 0 BGAARO CCOCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000006651038 170382029 /nfs/dbraw/zinc/38/20/29/170382029.db2.gz VWPDFPJVRWAPBU-CHWSQXEVSA-N 1 0 227.392 3.217 50 0 BGAARO CCOCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000006651042 170383384 /nfs/dbraw/zinc/38/33/84/170383384.db2.gz VWPDFPJVRWAPBU-OLZOCXBDSA-N 1 0 227.392 3.217 50 0 BGAARO Cc1ccc(C[NH2+]CCc2cccs2)s1 ZINC000006651156 360546004 /nfs/dbraw/zinc/54/60/04/360546004.db2.gz NRNNVOAZQIXUKB-UHFFFAOYSA-N 1 0 237.393 3.450 50 0 BGAARO C[NH2+]C[C@@H]1O[C@H]2CCCC[C@H]2c2sccc21 ZINC000006657970 173372311 /nfs/dbraw/zinc/37/23/11/173372311.db2.gz SSQGFXDMCNKSBL-USWWRNFRSA-N 1 0 237.368 3.065 50 0 BGAARO C[NH2+]C[C@@H]1O[C@H]2CCCC[C@@H]2c2sccc21 ZINC000006657972 173372774 /nfs/dbraw/zinc/37/27/74/173372774.db2.gz SSQGFXDMCNKSBL-DLOVCJGASA-N 1 0 237.368 3.065 50 0 BGAARO Clc1ccc(Cl)c(NC[C@@H]2CCC[NH2+]2)c1 ZINC000006658203 342780458 /nfs/dbraw/zinc/78/04/58/342780458.db2.gz GZUFTDJRFIDMIS-VIFPVBQESA-N 1 0 245.153 3.157 50 0 BGAARO Clc1ccc(Cl)c(NC[C@H]2CCC[NH2+]2)c1 ZINC000006658204 342780272 /nfs/dbraw/zinc/78/02/72/342780272.db2.gz GZUFTDJRFIDMIS-SECBINFHSA-N 1 0 245.153 3.157 50 0 BGAARO CCOc1ccc(Cl)cc1[C@@H]1CCC[NH2+]1 ZINC000006658217 170548457 /nfs/dbraw/zinc/54/84/57/170548457.db2.gz LQEATBYXWOTTRX-NSHDSACASA-N 1 0 225.719 3.163 50 0 BGAARO CCOc1ccc(Cl)cc1[C@H]1CCC[NH2+]1 ZINC000006658218 342780291 /nfs/dbraw/zinc/78/02/91/342780291.db2.gz LQEATBYXWOTTRX-LLVKDONJSA-N 1 0 225.719 3.163 50 0 BGAARO Brc1csc([C@@H]2CCCC[NH2+]2)c1 ZINC000006658336 166105743 /nfs/dbraw/zinc/10/57/43/166105743.db2.gz XSRXNVIDIBCTTO-QMMMGPOBSA-N 1 0 246.173 3.325 50 0 BGAARO Brc1csc([C@H]2CCCC[NH2+]2)c1 ZINC000006658337 166106330 /nfs/dbraw/zinc/10/63/30/166106330.db2.gz XSRXNVIDIBCTTO-MRVPVSSYSA-N 1 0 246.173 3.325 50 0 BGAARO CCCOc1ccc(C=O)cc1C[NH+](CC)CC ZINC000006659914 169317831 /nfs/dbraw/zinc/31/78/31/169317831.db2.gz WPMCXIOCQWBLQK-UHFFFAOYSA-N 1 0 249.354 3.130 50 0 BGAARO c1ccc(CC[NH2+]CC2CCCCC2)cc1 ZINC000006667683 183394060 /nfs/dbraw/zinc/39/40/60/183394060.db2.gz VROYJSDEJAZEAO-UHFFFAOYSA-N 1 0 217.356 3.399 50 0 BGAARO [NH3+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000006677355 181362988 /nfs/dbraw/zinc/36/29/88/181362988.db2.gz LJXNEBZTTYBJJO-UHFFFAOYSA-N 1 0 209.720 3.111 50 0 BGAARO C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000006678549 173388436 /nfs/dbraw/zinc/38/84/36/173388436.db2.gz AFCBXFZGBJHTIL-UHFFFAOYSA-N 1 0 221.687 3.319 50 0 BGAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccn1 ZINC000006697193 342781059 /nfs/dbraw/zinc/78/10/59/342781059.db2.gz APPSHQUPFFXNJT-UHFFFAOYSA-N 1 0 220.360 3.386 50 0 BGAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccnc1 ZINC000006697343 342781134 /nfs/dbraw/zinc/78/11/34/342781134.db2.gz SWMJHNXDXLDDFI-UHFFFAOYSA-N 1 0 220.360 3.386 50 0 BGAARO Fc1ccccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000006697650 181009030 /nfs/dbraw/zinc/00/90/30/181009030.db2.gz BBUNVRNGMFWRER-UHFFFAOYSA-N 1 0 231.270 3.338 50 0 BGAARO C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000006697865 173387758 /nfs/dbraw/zinc/38/77/58/173387758.db2.gz LICXEUMBFGEDNM-UHFFFAOYSA-N 1 0 221.687 3.319 50 0 BGAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 ZINC000006697959 175265655 /nfs/dbraw/zinc/26/56/55/175265655.db2.gz DPNNHWZCYZJXMK-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccncc1 ZINC000006697976 166554069 /nfs/dbraw/zinc/55/40/69/166554069.db2.gz PHUPLMXJNAVDHD-UHFFFAOYSA-N 1 0 220.360 3.386 50 0 BGAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000006701511 175265304 /nfs/dbraw/zinc/26/53/04/175265304.db2.gz RMKBMNRDMKXOOB-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO COc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000006701663 175266217 /nfs/dbraw/zinc/26/62/17/175266217.db2.gz APGQXNKORFRVLF-UHFFFAOYSA-N 1 0 233.336 3.047 50 0 BGAARO CC[NH2+]CCOc1ccc(Cl)c2ccccc12 ZINC000006702013 170116737 /nfs/dbraw/zinc/11/67/37/170116737.db2.gz UNFYPTSFDPGSCG-UHFFFAOYSA-N 1 0 249.741 3.482 50 0 BGAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000006702112 342781092 /nfs/dbraw/zinc/78/10/92/342781092.db2.gz FNGKNMUKPUFITQ-UHFFFAOYSA-N 1 0 234.126 3.112 50 0 BGAARO CC[NH2+]CCOc1ccc([C@H](C)CC)cc1 ZINC000006702327 170116435 /nfs/dbraw/zinc/11/64/35/170116435.db2.gz HUNPBFXFEADFAW-GFCCVEGCSA-N 1 0 221.344 3.188 50 0 BGAARO CC[NH2+]CCOc1ccc([C@@H](C)CC)cc1 ZINC000006702328 170116340 /nfs/dbraw/zinc/11/63/40/170116340.db2.gz HUNPBFXFEADFAW-LBPRGKRZSA-N 1 0 221.344 3.188 50 0 BGAARO Clc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000006702367 342781120 /nfs/dbraw/zinc/78/11/20/342781120.db2.gz PZMABXXYUCIGOI-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO CCOc1cccc(C[NH2+]C2CCCC2)c1 ZINC000006702744 170578063 /nfs/dbraw/zinc/57/80/63/170578063.db2.gz IGMVURAIRBXKTL-UHFFFAOYSA-N 1 0 219.328 3.118 50 0 BGAARO CC[NH2+]CCOc1c(C)cc(Cl)cc1Cl ZINC000006702827 170116327 /nfs/dbraw/zinc/11/63/27/170116327.db2.gz BGXZHDOLSYTPEO-UHFFFAOYSA-N 1 0 248.153 3.290 50 0 BGAARO CC[NH2+]CCOc1cc(C(C)C)ccc1C ZINC000006703077 170116057 /nfs/dbraw/zinc/11/60/57/170116057.db2.gz CRGYJPRQGWBMLI-UHFFFAOYSA-N 1 0 221.344 3.107 50 0 BGAARO CC[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000006703239 170116101 /nfs/dbraw/zinc/11/61/01/170116101.db2.gz QBSQMYLAIVQWAN-UHFFFAOYSA-N 1 0 241.334 3.342 50 0 BGAARO CC[NH2+]CCOc1ccc(C)cc1C(C)(C)C ZINC000006703256 170116428 /nfs/dbraw/zinc/11/64/28/170116428.db2.gz TZMKIBBYDLCZJU-UHFFFAOYSA-N 1 0 235.371 3.281 50 0 BGAARO CC[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000006703695 170116422 /nfs/dbraw/zinc/11/64/22/170116422.db2.gz AZSYWYWDNMNDSO-UHFFFAOYSA-N 1 0 221.344 3.107 50 0 BGAARO CCOc1ccccc1C[NH2+]Cc1ccccc1 ZINC000006703706 342781183 /nfs/dbraw/zinc/78/11/83/342781183.db2.gz ZAWAFOADCBZUOR-UHFFFAOYSA-N 1 0 241.334 3.375 50 0 BGAARO Clc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000006704091 342781116 /nfs/dbraw/zinc/78/11/16/342781116.db2.gz JXECVYFXQDKIJB-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO CC[NH2+]CCOc1ccc(-c2ccccc2)cc1 ZINC000006704840 170116347 /nfs/dbraw/zinc/11/63/47/170116347.db2.gz VTERJZDLKANKPW-UHFFFAOYSA-N 1 0 241.334 3.342 50 0 BGAARO CC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1 ZINC000006707952 187874827 /nfs/dbraw/zinc/87/48/27/187874827.db2.gz STPFFXHPRIQRSI-CMDGGOBGSA-N 1 0 224.327 3.473 50 0 BGAARO Clc1cccc(OC2CC[NH2+]CC2)c1Cl ZINC000006718312 342781350 /nfs/dbraw/zinc/78/13/50/342781350.db2.gz RJOMAXLHYYSPTL-UHFFFAOYSA-N 1 0 246.137 3.124 50 0 BGAARO CC[NH2+]CCOc1cc(C)ccc1C(C)C ZINC000006729027 170116415 /nfs/dbraw/zinc/11/64/15/170116415.db2.gz MWMRFWDCCKZJKR-UHFFFAOYSA-N 1 0 221.344 3.107 50 0 BGAARO CC[NH2+]CCOc1ccccc1[C@H](C)CC ZINC000006729147 170116859 /nfs/dbraw/zinc/11/68/59/170116859.db2.gz HRPNYJGZUVYMSR-GFCCVEGCSA-N 1 0 221.344 3.188 50 0 BGAARO CC[NH2+]CCOc1ccccc1[C@@H](C)CC ZINC000006729149 170116862 /nfs/dbraw/zinc/11/68/62/170116862.db2.gz HRPNYJGZUVYMSR-LBPRGKRZSA-N 1 0 221.344 3.188 50 0 BGAARO C[C@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000006732179 342781706 /nfs/dbraw/zinc/78/17/06/342781706.db2.gz IUBFAZSFGODJPA-VIFPVBQESA-N 1 0 236.315 3.053 50 0 BGAARO C[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000006743368 173389444 /nfs/dbraw/zinc/38/94/44/173389444.db2.gz SYASGOAQKAJNNY-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000006743811 173388735 /nfs/dbraw/zinc/38/87/35/173388735.db2.gz FQBHCFHUQVNFQZ-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000006746707 173390493 /nfs/dbraw/zinc/39/04/93/173390493.db2.gz VIAURXGISWJIAK-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO COc1ccc(CC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000006787657 175091883 /nfs/dbraw/zinc/09/18/83/175091883.db2.gz PPIPDGQPFDTUSN-HNNXBMFYSA-N 1 0 245.366 3.184 50 0 BGAARO COc1ccc(CC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000006787659 175091502 /nfs/dbraw/zinc/09/15/02/175091502.db2.gz PPIPDGQPFDTUSN-OAHLLOKOSA-N 1 0 245.366 3.184 50 0 BGAARO C[C@H](COc1ccc2ccccc2c1)[NH+](C)C ZINC000006795502 342783374 /nfs/dbraw/zinc/78/33/74/342783374.db2.gz KIXZRSGSEUGRLJ-GFCCVEGCSA-N 1 0 229.323 3.169 50 0 BGAARO COc1ccccc1Sc1ccccc1C[NH3+] ZINC000006849353 175343348 /nfs/dbraw/zinc/34/33/48/175343348.db2.gz RSFTWODMUNQVGJ-UHFFFAOYSA-N 1 0 245.347 3.305 50 0 BGAARO CC(C)c1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000006858974 342785132 /nfs/dbraw/zinc/78/51/32/342785132.db2.gz QWRFQUFONLSSOU-UHFFFAOYSA-N 1 0 240.350 3.495 50 0 BGAARO [NH2+]=C1c2ccccc2CN1Cc1ccccc1 ZINC000006864281 181207639 /nfs/dbraw/zinc/20/76/39/181207639.db2.gz ORHDDLAIQJIRFA-UHFFFAOYSA-N 1 0 222.291 3.028 50 0 BGAARO CC(C)(C)c1ccc(CSC(N)=[NH2+])cc1 ZINC000006881318 187413079 /nfs/dbraw/zinc/41/30/79/187413079.db2.gz FCYJFUBBEMGBSN-UHFFFAOYSA-N 1 0 222.357 3.111 50 0 BGAARO NC(=[NH2+])SCCSc1ccc(Cl)cc1 ZINC000006881319 181193110 /nfs/dbraw/zinc/19/31/10/181193110.db2.gz XHNDXMNBNFMRQD-UHFFFAOYSA-N 1 0 246.788 3.059 50 0 BGAARO COc1ccc(Cl)cc1C[NH2+]CC(C)C ZINC000006883552 175120208 /nfs/dbraw/zinc/12/02/08/175120208.db2.gz QZOROFCESDOXGJ-UHFFFAOYSA-N 1 0 227.735 3.094 50 0 BGAARO CSc1ccc(C[NH2+]CC(C)C)cc1 ZINC000006883608 342785732 /nfs/dbraw/zinc/78/57/32/342785732.db2.gz YZHPRNZFNHHXRQ-UHFFFAOYSA-N 1 0 209.358 3.154 50 0 BGAARO CC(C)OCCC[NH2+]Cc1cccc(Cl)c1 ZINC000006884098 167222725 /nfs/dbraw/zinc/22/27/25/167222725.db2.gz QFTVMNRXOMQRTL-UHFFFAOYSA-N 1 0 241.762 3.245 50 0 BGAARO CC(C)[C@@H](CO)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000006884234 387791511 /nfs/dbraw/zinc/79/15/11/387791511.db2.gz AFOVREWAXPHFCX-JXQTWKCFSA-N 1 0 241.419 3.198 50 0 BGAARO [NH3+][C@@H](c1ccccc1)c1cc2ccccc2cn1 ZINC000006896744 342785883 /nfs/dbraw/zinc/78/58/83/342785883.db2.gz AMSZZLOUYWAVNF-INIZCTEOSA-N 1 0 234.302 3.283 50 0 BGAARO [NH3+][C@H](c1ccccc1)c1cc2ccccc2cn1 ZINC000006896763 342785945 /nfs/dbraw/zinc/78/59/45/342785945.db2.gz AMSZZLOUYWAVNF-MRXNPFEDSA-N 1 0 234.302 3.283 50 0 BGAARO CCCC[NH2+]Cn1c2ccccc2oc1=S ZINC000006995476 361169204 /nfs/dbraw/zinc/16/92/04/361169204.db2.gz SKHZERNUIMIQBB-UHFFFAOYSA-N 1 0 236.340 3.311 50 0 BGAARO CCCCCC[NH2+]Cc1ccc(OC)cc1 ZINC000007261034 342790407 /nfs/dbraw/zinc/79/04/07/342790407.db2.gz FQCBYKAZCNKWLR-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCCCC[NH2+]Cc1cccc(OC)c1 ZINC000007261065 384175644 /nfs/dbraw/zinc/17/56/44/384175644.db2.gz ANECFRUKULEJJT-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCCCC[NH2+]Cc1ccccc1F ZINC000007261085 384175890 /nfs/dbraw/zinc/17/58/90/384175890.db2.gz XKNUXBAKBHDLIU-UHFFFAOYSA-N 1 0 209.308 3.496 50 0 BGAARO CCCCC[NH2+]Cc1cccc(OCC)c1 ZINC000007261334 342790339 /nfs/dbraw/zinc/79/03/39/342790339.db2.gz FDBUDCXJBKXTRM-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCC[NH2+]Cc1c(F)cccc1Cl ZINC000007261609 384174922 /nfs/dbraw/zinc/17/49/22/384174922.db2.gz IHCNOKDFNCAEQO-UHFFFAOYSA-N 1 0 215.699 3.369 50 0 BGAARO CCCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000007261653 384176619 /nfs/dbraw/zinc/17/66/19/384176619.db2.gz QOEQEYMBEVSUSM-UHFFFAOYSA-N 1 0 227.735 3.238 50 0 BGAARO CCCCOCCC[NH2+]Cc1cccs1 ZINC000007261773 384176387 /nfs/dbraw/zinc/17/63/87/384176387.db2.gz LCOVCRWHBWZLAJ-UHFFFAOYSA-N 1 0 227.373 3.045 50 0 BGAARO CCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000007262290 169265483 /nfs/dbraw/zinc/26/54/83/169265483.db2.gz RZAWZEAMGRPGFS-UHFFFAOYSA-N 1 0 229.323 3.348 50 0 BGAARO CCC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000007262338 169265525 /nfs/dbraw/zinc/26/55/25/169265525.db2.gz GNXSTAHETLZIBN-UHFFFAOYSA-N 1 0 227.735 3.238 50 0 BGAARO CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000007262402 169267679 /nfs/dbraw/zinc/26/76/79/169267679.db2.gz AWBDGXFLNNEVBF-UHFFFAOYSA-N 1 0 218.127 3.493 50 0 BGAARO CSc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000007276710 384175929 /nfs/dbraw/zinc/17/59/29/384175929.db2.gz GGSVUNYOHIVNNH-UHFFFAOYSA-N 1 0 244.363 3.093 50 0 BGAARO Fc1ccccc1C[NH2+]C1CCCCC1 ZINC000007519241 181011496 /nfs/dbraw/zinc/01/14/96/181011496.db2.gz VKSCCGGJVYKRRN-UHFFFAOYSA-N 1 0 207.292 3.248 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000007524104 171342789 /nfs/dbraw/zinc/34/27/89/171342789.db2.gz WNTVPWGATQDEGW-VIFPVBQESA-N 1 0 227.735 3.237 50 0 BGAARO CCOCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000007524164 170380513 /nfs/dbraw/zinc/38/05/13/170380513.db2.gz QGPJVARPEYGDPY-UHFFFAOYSA-N 1 0 235.371 3.326 50 0 BGAARO c1cc(C[NH2+]Cc2ccccc2)cs1 ZINC000007524954 384182817 /nfs/dbraw/zinc/18/28/17/384182817.db2.gz HCMNCYAVQIQXPC-UHFFFAOYSA-N 1 0 203.310 3.038 50 0 BGAARO c1cc(C[NH2+]CCc2ccccc2)cs1 ZINC000007524981 183393897 /nfs/dbraw/zinc/39/38/97/183393897.db2.gz YANJIKHEHDJRKW-UHFFFAOYSA-N 1 0 217.337 3.080 50 0 BGAARO c1csc(C[NH2+]Cc2ccsc2)c1 ZINC000007524993 342792177 /nfs/dbraw/zinc/79/21/77/342792177.db2.gz MXKWGZGTQFVEOI-UHFFFAOYSA-N 1 0 209.339 3.099 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2ccsc2)cc1 ZINC000007525026 180963775 /nfs/dbraw/zinc/96/37/75/180963775.db2.gz ITRLBTFGBSWJHM-UHFFFAOYSA-N 1 0 235.327 3.220 50 0 BGAARO Fc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000007525029 346661536 /nfs/dbraw/zinc/66/15/36/346661536.db2.gz MHBCBXIRGVIQFP-UHFFFAOYSA-N 1 0 221.300 3.177 50 0 BGAARO Cc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000007538187 178617083 /nfs/dbraw/zinc/61/70/83/178617083.db2.gz BLFYJWHOSITBGC-UHFFFAOYSA-N 1 0 229.298 3.424 50 0 BGAARO Cc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000007538249 346661863 /nfs/dbraw/zinc/66/18/63/346661863.db2.gz IDEIURSLBABDKP-UHFFFAOYSA-N 1 0 217.337 3.346 50 0 BGAARO NC(=[NH2+])SCc1ccc(-c2ccccc2)cc1 ZINC000007715647 181192094 /nfs/dbraw/zinc/19/20/94/181192094.db2.gz VBRWJJHVOGLPPV-UHFFFAOYSA-N 1 0 242.347 3.480 50 0 BGAARO CSCC[C@H]([NH3+])c1nc2ccccc2s1 ZINC000007978527 342795264 /nfs/dbraw/zinc/79/52/64/342795264.db2.gz SODBMUXNXHHPIC-QMMMGPOBSA-N 1 0 238.381 3.049 50 0 BGAARO CSCC[C@@H]([NH3+])c1nc2ccccc2s1 ZINC000007978530 342795127 /nfs/dbraw/zinc/79/51/27/342795127.db2.gz SODBMUXNXHHPIC-MRVPVSSYSA-N 1 0 238.381 3.049 50 0 BGAARO c1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000008039529 342795786 /nfs/dbraw/zinc/79/57/86/342795786.db2.gz YAHRGRFZDYLQAG-LBPRGKRZSA-N 1 0 221.369 3.311 50 0 BGAARO c1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 ZINC000008039532 188104460 /nfs/dbraw/zinc/10/44/60/188104460.db2.gz YAHRGRFZDYLQAG-GFCCVEGCSA-N 1 0 221.369 3.311 50 0 BGAARO CC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000008227105 170124735 /nfs/dbraw/zinc/12/47/35/170124735.db2.gz LYRTUJUYYJBFLN-UHFFFAOYSA-N 1 0 229.323 3.348 50 0 BGAARO CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000008227293 170126993 /nfs/dbraw/zinc/12/69/93/170126993.db2.gz NVSWVAKILYGGTM-UHFFFAOYSA-N 1 0 211.308 3.463 50 0 BGAARO CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000008227305 170128463 /nfs/dbraw/zinc/12/84/63/170128463.db2.gz VYUXKUPKUUKLCG-UHFFFAOYSA-N 1 0 204.100 3.103 50 0 BGAARO CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000008227320 170140145 /nfs/dbraw/zinc/14/01/45/170140145.db2.gz SLPDBQVXYMBABY-VIFPVBQESA-N 1 0 231.261 3.246 50 0 BGAARO CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000008227323 170157730 /nfs/dbraw/zinc/15/77/30/170157730.db2.gz SLPDBQVXYMBABY-SECBINFHSA-N 1 0 231.261 3.246 50 0 BGAARO C[C@@H](C[NH+](C)C)Oc1ccc2ccccc2c1 ZINC000008239705 342797035 /nfs/dbraw/zinc/79/70/35/342797035.db2.gz VPNHZLCKWXYDBR-LBPRGKRZSA-N 1 0 229.323 3.169 50 0 BGAARO CCOCCC[NH2+]Cc1cccc2ccccc21 ZINC000008253210 170381558 /nfs/dbraw/zinc/38/15/58/170381558.db2.gz WWNKPIMWVWEBBT-UHFFFAOYSA-N 1 0 243.350 3.356 50 0 BGAARO CCOc1c(C[NH2+]C2CCCC2)cccc1OC ZINC000008253457 384198938 /nfs/dbraw/zinc/19/89/38/384198938.db2.gz QQNVTEAMHZZMIF-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO c1nc(C[NH+]2CCCCC2)oc1-c1ccccc1 ZINC000008324405 183380695 /nfs/dbraw/zinc/38/06/95/183380695.db2.gz SASPIMKCSKXSSP-UHFFFAOYSA-N 1 0 242.322 3.328 50 0 BGAARO c1ccc2sc(C[NH+]3CCCCC3)nc2c1 ZINC000008324408 388403502 /nfs/dbraw/zinc/40/35/02/388403502.db2.gz CVFQWPKYXSNCKI-UHFFFAOYSA-N 1 0 232.352 3.282 50 0 BGAARO CCOc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000008325062 342797850 /nfs/dbraw/zinc/79/78/50/342797850.db2.gz HOEZRAXPFJBXOW-UHFFFAOYSA-N 1 0 241.334 3.491 50 0 BGAARO CCOc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000008325241 342797869 /nfs/dbraw/zinc/79/78/69/342797869.db2.gz RQBPTOJVSSYFQS-UHFFFAOYSA-N 1 0 241.334 3.375 50 0 BGAARO CCOc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000008325267 342797997 /nfs/dbraw/zinc/79/79/97/342797997.db2.gz OECPJRBYNSBHJH-UHFFFAOYSA-N 1 0 247.363 3.437 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000008325998 342797871 /nfs/dbraw/zinc/79/78/71/342797871.db2.gz OPMCNYDEGDQNLE-SNVBAGLBSA-N 1 0 209.358 3.297 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000008326751 171343428 /nfs/dbraw/zinc/34/34/28/171343428.db2.gz OPMCNYDEGDQNLE-JTQLQIEISA-N 1 0 209.358 3.297 50 0 BGAARO c1c(C[NH+]2CCCCC2)noc1-c1ccccc1 ZINC000008329134 183378831 /nfs/dbraw/zinc/37/88/31/183378831.db2.gz FSBVWPQDCFLOQZ-UHFFFAOYSA-N 1 0 242.322 3.328 50 0 BGAARO CCc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000008337950 384199436 /nfs/dbraw/zinc/19/94/36/384199436.db2.gz ZVUGNZGWMAVZPJ-UHFFFAOYSA-N 1 0 203.329 3.281 50 0 BGAARO Clc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000008436758 342799219 /nfs/dbraw/zinc/79/92/19/342799219.db2.gz DDRYCFDLJRXCEW-UHFFFAOYSA-N 1 0 232.714 3.025 50 0 BGAARO C[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000008462709 342799264 /nfs/dbraw/zinc/79/92/64/342799264.db2.gz XVWQQNARVMHZBP-UHFFFAOYSA-N 1 0 239.362 3.404 50 0 in-man BGAARO COCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000008469197 174336207 /nfs/dbraw/zinc/33/62/07/174336207.db2.gz NMTHIKAERJUHSH-UHFFFAOYSA-N 1 0 241.334 3.090 50 0 BGAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000008469562 342799418 /nfs/dbraw/zinc/79/94/18/342799418.db2.gz DHVMMXUZYMSHQT-UHFFFAOYSA-N 1 0 246.137 3.254 50 0 BGAARO COc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000008494663 175263712 /nfs/dbraw/zinc/26/37/12/175263712.db2.gz XRLDLKBXGSMWIZ-UHFFFAOYSA-N 1 0 219.328 3.118 50 0 BGAARO COc1cccc(C[NH2+]C2CCCCC2)c1OC ZINC000008495173 175262941 /nfs/dbraw/zinc/26/29/41/175262941.db2.gz GGTLHEJDQPJIHM-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO Cc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000008550078 342800369 /nfs/dbraw/zinc/80/03/69/342800369.db2.gz PWFKKLWEXVQDPX-UHFFFAOYSA-N 1 0 203.329 3.417 50 0 BGAARO Cc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000008550087 342800317 /nfs/dbraw/zinc/80/03/17/342800317.db2.gz JWABKKFKFCPAJX-UHFFFAOYSA-N 1 0 243.325 3.466 50 0 BGAARO Cc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000008550089 342800308 /nfs/dbraw/zinc/80/03/08/342800308.db2.gz ZITUTKRAFVIQOV-UHFFFAOYSA-N 1 0 225.335 3.327 50 0 BGAARO CC[NH+](CC)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008661051 372837903 /nfs/dbraw/zinc/83/79/03/372837903.db2.gz OJQZKRYTKCRNDY-UHFFFAOYSA-N 1 0 244.338 3.091 50 0 BGAARO CC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000008698405 384209948 /nfs/dbraw/zinc/20/99/48/384209948.db2.gz YOETTZCHIABKPH-VIFPVBQESA-N 1 0 203.207 3.115 50 0 BGAARO CC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000008698406 384210181 /nfs/dbraw/zinc/21/01/81/384210181.db2.gz YOETTZCHIABKPH-SECBINFHSA-N 1 0 203.207 3.115 50 0 BGAARO CC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000008698407 384209809 /nfs/dbraw/zinc/20/98/09/384209809.db2.gz GGMBEWCATHOITK-VIFPVBQESA-N 1 0 203.207 3.115 50 0 BGAARO CC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000008698408 384209961 /nfs/dbraw/zinc/20/99/61/384209961.db2.gz ZZTDGFLVDISOIK-VIFPVBQESA-N 1 0 203.207 3.115 50 0 BGAARO CC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000008698409 384209239 /nfs/dbraw/zinc/20/92/39/384209239.db2.gz ZZTDGFLVDISOIK-SECBINFHSA-N 1 0 203.207 3.115 50 0 BGAARO CC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000008705758 170869962 /nfs/dbraw/zinc/86/99/62/170869962.db2.gz QDTICOAVVMENTI-SECBINFHSA-N 1 0 204.100 3.403 50 0 BGAARO C[NH2+]Cc1sc2ccccc2c1Cl ZINC000008731844 384216319 /nfs/dbraw/zinc/21/63/19/384216319.db2.gz QCYSKGORFDRMGB-UHFFFAOYSA-N 1 0 211.717 3.274 50 0 BGAARO Cc1ccc2[nH]c(=O)c(C[NH2+]C(C)(C)C)cc2c1 ZINC000008762728 178979490 /nfs/dbraw/zinc/97/94/90/178979490.db2.gz HOZUKIFSZBTIBO-UHFFFAOYSA-N 1 0 244.338 3.137 50 0 BGAARO Cc1ccc2cc(C[NH2+]C(C)(C)C)c(=O)[nH]c2c1 ZINC000008772749 372893274 /nfs/dbraw/zinc/89/32/74/372893274.db2.gz PJDOAEUOIPOPRO-UHFFFAOYSA-N 1 0 244.338 3.137 50 0 BGAARO CCc1cccc2c(C3=CC[NH2+]CC3)c[nH]c21 ZINC000008939967 384225914 /nfs/dbraw/zinc/22/59/14/384225914.db2.gz KEPBTNTVCQDTGG-UHFFFAOYSA-N 1 0 226.323 3.107 50 0 BGAARO CCCC[NH2+]Cc1cc2ccc(C)cc2[nH]c1=O ZINC000009191585 388423037 /nfs/dbraw/zinc/42/30/37/388423037.db2.gz UJCQIPSPNKJPFU-UHFFFAOYSA-N 1 0 244.338 3.139 50 0 BGAARO C[N@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CC=CCC1 ZINC000009208907 384235901 /nfs/dbraw/zinc/23/59/01/384235901.db2.gz XTEFZUUUYVDILA-GDBMZVCRSA-N 1 0 245.366 3.008 50 0 BGAARO CCCC[NH2+]Cc1cc2cc(C)ccc2[nH]c1=O ZINC000009210292 388423372 /nfs/dbraw/zinc/42/33/72/388423372.db2.gz VIAKCCVQIWTQEA-UHFFFAOYSA-N 1 0 244.338 3.139 50 0 BGAARO Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000009224976 178563256 /nfs/dbraw/zinc/56/32/56/178563256.db2.gz OWIUZWWIEGQNMG-UHFFFAOYSA-N 1 0 203.329 3.227 50 0 BGAARO [NH3+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000009245961 181563114 /nfs/dbraw/zinc/56/31/14/181563114.db2.gz OYCUPNFRMCKIHN-CYBMUJFWSA-N 1 0 207.292 3.406 50 0 BGAARO [NH3+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000009245962 181631421 /nfs/dbraw/zinc/63/14/21/181631421.db2.gz OYCUPNFRMCKIHN-ZDUSSCGKSA-N 1 0 207.292 3.406 50 0 BGAARO CCCn1cc(C[C@@H](C)[NH3+])c2cc(C)ccc21 ZINC000009422046 374127536 /nfs/dbraw/zinc/12/75/36/374127536.db2.gz SJDKQRRBCDGBEE-GFCCVEGCSA-N 1 0 230.355 3.249 50 0 BGAARO CCCn1cc(C[C@H](C)[NH3+])c2cc(C)ccc21 ZINC000009422047 169619800 /nfs/dbraw/zinc/61/98/00/169619800.db2.gz SJDKQRRBCDGBEE-LBPRGKRZSA-N 1 0 230.355 3.249 50 0 BGAARO CCCn1cc(C[C@@H](C)[NH3+])c2cc(F)ccc21 ZINC000009423489 374127203 /nfs/dbraw/zinc/12/72/03/374127203.db2.gz YYSGEFNCHCUTPX-SNVBAGLBSA-N 1 0 234.318 3.080 50 0 BGAARO CCCn1cc(C[C@H](C)[NH3+])c2cc(F)ccc21 ZINC000009423490 374127028 /nfs/dbraw/zinc/12/70/28/374127028.db2.gz YYSGEFNCHCUTPX-JTQLQIEISA-N 1 0 234.318 3.080 50 0 BGAARO CC[N@H+](Cc1ccncc1)Cc1ccc(C)cc1 ZINC000009849426 374251987 /nfs/dbraw/zinc/25/19/87/374251987.db2.gz HOIRYUKPMDYAOB-UHFFFAOYSA-N 1 0 240.350 3.412 50 0 BGAARO CC1=C(c2nc3ccccc3[nH]2)C(=[NH2+])n2cccc21 ZINC000009915591 168089100 /nfs/dbraw/zinc/08/91/00/168089100.db2.gz YYPLIADSKIATRF-UHFFFAOYSA-N 1 0 248.289 3.134 50 0 BGAARO CCCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000010003189 388443042 /nfs/dbraw/zinc/44/30/42/388443042.db2.gz UZIVESLNYBXOFL-UHFFFAOYSA-N 1 0 243.354 3.275 50 0 BGAARO CCC(C)(C)[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000010023586 168297706 /nfs/dbraw/zinc/29/77/06/168297706.db2.gz BMUFIBIVOMNVHS-UHFFFAOYSA-N 1 0 248.370 3.020 50 0 BGAARO c1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000010218338 541345541 /nfs/dbraw/zinc/34/55/41/541345541.db2.gz ZRWQMHMXWYSSSI-BETUJISGSA-N 1 0 246.379 3.190 50 0 BGAARO c1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000010218342 582855385 /nfs/dbraw/zinc/85/53/85/582855385.db2.gz ZRWQMHMXWYSSSI-STQMWFEESA-N 1 0 246.379 3.190 50 0 BGAARO c1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000010218346 582855136 /nfs/dbraw/zinc/85/51/36/582855136.db2.gz ZRWQMHMXWYSSSI-CHWSQXEVSA-N 1 0 246.379 3.190 50 0 BGAARO CC(C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000010435855 167118914 /nfs/dbraw/zinc/11/89/14/167118914.db2.gz ZRTOSIHDTPDTMZ-UHFFFAOYSA-N 1 0 218.127 3.491 50 0 BGAARO CC(C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000010435858 167116594 /nfs/dbraw/zinc/11/65/94/167116594.db2.gz XRJNKHAQOXASHD-UHFFFAOYSA-N 1 0 218.127 3.491 50 0 BGAARO CCOc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000010436065 342836356 /nfs/dbraw/zinc/83/63/56/342836356.db2.gz OEBKMUISNTZSIB-UHFFFAOYSA-N 1 0 227.735 3.237 50 0 BGAARO COc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000010436114 175225521 /nfs/dbraw/zinc/22/55/21/175225521.db2.gz GBJDKSSJZJXRKK-UHFFFAOYSA-N 1 0 229.323 3.346 50 0 BGAARO CC(C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000010436140 167122063 /nfs/dbraw/zinc/12/20/63/167122063.db2.gz KBURUWBSVBQRQK-UHFFFAOYSA-N 1 0 217.234 3.203 50 0 BGAARO CC(C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000010436201 167118243 /nfs/dbraw/zinc/11/82/43/167118243.db2.gz DQMLRLOKQNRFEV-UHFFFAOYSA-N 1 0 218.127 3.491 50 0 BGAARO CC(C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000010436205 167118926 /nfs/dbraw/zinc/11/89/26/167118926.db2.gz GOHUXVZHCOOEAK-UHFFFAOYSA-N 1 0 218.127 3.491 50 0 BGAARO CC(C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000010436232 167116418 /nfs/dbraw/zinc/11/64/18/167116418.db2.gz WPPQAAJWSRLDOO-UHFFFAOYSA-N 1 0 215.296 3.445 50 0 BGAARO CC(C)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC000010436301 167092591 /nfs/dbraw/zinc/09/25/91/167092591.db2.gz JMWRJZWVKZCRNZ-ONEGZZNKSA-N 1 0 209.720 3.351 50 0 BGAARO CCOc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000010436446 342836311 /nfs/dbraw/zinc/83/63/11/342836311.db2.gz KUGGSUZWXAWHAJ-UHFFFAOYSA-N 1 0 227.735 3.237 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000010473016 342836559 /nfs/dbraw/zinc/83/65/59/342836559.db2.gz OZEDSYIDDNQUQL-SECBINFHSA-N 1 0 242.160 3.337 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccccc1Br ZINC000010473018 171344597 /nfs/dbraw/zinc/34/45/97/171344597.db2.gz OZEDSYIDDNQUQL-VIFPVBQESA-N 1 0 242.160 3.337 50 0 BGAARO c1csc(C[NH2+]CC2CCCCC2)c1 ZINC000010474555 342836583 /nfs/dbraw/zinc/83/65/83/342836583.db2.gz NYWWRNVNRNTESF-UHFFFAOYSA-N 1 0 209.358 3.418 50 0 BGAARO CCOc1c(Cl)cc(C[NH2+]C)cc1Cl ZINC000010474717 342836509 /nfs/dbraw/zinc/83/65/09/342836509.db2.gz IDNJACGVOVGECO-UHFFFAOYSA-N 1 0 234.126 3.112 50 0 BGAARO CCC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000010474779 169267385 /nfs/dbraw/zinc/26/73/85/169267385.db2.gz AGDDRORFUCTUJP-UHFFFAOYSA-N 1 0 227.735 3.238 50 0 BGAARO CCCCCC[NH2+]CCc1ccccc1 ZINC000010474855 168666546 /nfs/dbraw/zinc/66/65/46/168666546.db2.gz WSHLGJOWHIEBKI-UHFFFAOYSA-N 1 0 205.345 3.399 50 0 BGAARO CCOc1ccc(C[NH2+]CC(C)C)cc1Cl ZINC000010474873 342836556 /nfs/dbraw/zinc/83/65/56/342836556.db2.gz AOMPYEBVCCQFNM-UHFFFAOYSA-N 1 0 241.762 3.484 50 0 BGAARO c1cc(C[NH2+]CC2CCCCC2)cc2c1OCO2 ZINC000010474990 183368102 /nfs/dbraw/zinc/36/81/02/183368102.db2.gz YXQMVQMORGLSFA-UHFFFAOYSA-N 1 0 247.338 3.085 50 0 BGAARO Fc1ccccc1CC[NH2+]CCc1ccccc1 ZINC000010475171 181011730 /nfs/dbraw/zinc/01/17/30/181011730.db2.gz OKHMEISIUAMUNE-UHFFFAOYSA-N 1 0 243.325 3.201 50 0 BGAARO Fc1ccc(CC[NH2+]CCc2ccccc2)cc1 ZINC000010475188 342836590 /nfs/dbraw/zinc/83/65/90/342836590.db2.gz PQVNYPDACGFHNU-UHFFFAOYSA-N 1 0 243.325 3.201 50 0 BGAARO COc1ccc(CC[NH2+]CC2CCCCC2)cc1 ZINC000010475208 175091319 /nfs/dbraw/zinc/09/13/19/175091319.db2.gz HIQKXYMASXVOJT-UHFFFAOYSA-N 1 0 247.382 3.408 50 0 BGAARO Brc1ccc(C[NH+]2CCCC2)cc1 ZINC000010495249 166098332 /nfs/dbraw/zinc/09/83/32/166098332.db2.gz UKJIGXJYXLVARZ-UHFFFAOYSA-N 1 0 240.144 3.045 50 0 in-vitro BGAARO [NH3+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000011566631 384289934 /nfs/dbraw/zinc/28/99/34/384289934.db2.gz MPATYEYGEXMJGI-UHFFFAOYSA-N 1 0 230.292 3.015 50 0 BGAARO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH3+] ZINC000011568413 178332600 /nfs/dbraw/zinc/33/26/00/178332600.db2.gz QKBJYNKBULHDDV-SECBINFHSA-N 1 0 232.352 3.447 50 0 BGAARO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH3+] ZINC000011568414 178333052 /nfs/dbraw/zinc/33/30/52/178333052.db2.gz QKBJYNKBULHDDV-VIFPVBQESA-N 1 0 232.352 3.447 50 0 BGAARO CC(C)(C)c1ccc(CCCC[NH3+])cc1 ZINC000011596977 384292765 /nfs/dbraw/zinc/29/27/65/384292765.db2.gz WWTSNUDUQDLYSX-UHFFFAOYSA-N 1 0 205.345 3.266 50 0 BGAARO c1ccc2c(c1)CC[NH2+][C@@H]2C1CCCCC1 ZINC000011597121 384291630 /nfs/dbraw/zinc/29/16/30/384291630.db2.gz OMYOTQLWOQIIKW-OAHLLOKOSA-N 1 0 215.340 3.454 50 0 BGAARO Cc1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000011597142 188104881 /nfs/dbraw/zinc/10/48/81/188104881.db2.gz NLRPAYVOSIARFS-INIZCTEOSA-N 1 0 223.319 3.230 50 0 BGAARO Cc1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000011597147 179204815 /nfs/dbraw/zinc/20/48/15/179204815.db2.gz NLRPAYVOSIARFS-MRXNPFEDSA-N 1 0 223.319 3.230 50 0 BGAARO Cc1ccc2c(c1)CC[NH2+][C@H]2CC(C)C ZINC000011597444 363468998 /nfs/dbraw/zinc/46/89/98/363468998.db2.gz UBDOVFNCLKDCEY-AWEZNQCLSA-N 1 0 203.329 3.228 50 0 BGAARO Cc1ccc2c(c1)CC[NH2+][C@@H]2CC(C)C ZINC000011597447 188339531 /nfs/dbraw/zinc/33/95/31/188339531.db2.gz UBDOVFNCLKDCEY-CQSZACIVSA-N 1 0 203.329 3.228 50 0 BGAARO Cc1ccc2c(c1)CC[NH2+][C@@H]2C(C)(C)C ZINC000011597455 342841798 /nfs/dbraw/zinc/84/17/98/342841798.db2.gz CWFDNZNQNBTNOY-ZDUSSCGKSA-N 1 0 203.329 3.228 50 0 BGAARO Cc1ccc2c(c1)CC[NH2+][C@H]2C(C)(C)C ZINC000011597458 178945433 /nfs/dbraw/zinc/94/54/33/178945433.db2.gz CWFDNZNQNBTNOY-CYBMUJFWSA-N 1 0 203.329 3.228 50 0 BGAARO Cc1ccc2c(c1)CC[NH2+][C@@H]2c1ccccc1 ZINC000011597487 384292304 /nfs/dbraw/zinc/29/23/04/384292304.db2.gz QRDBGYAEGVDVSF-MRXNPFEDSA-N 1 0 223.319 3.230 50 0 BGAARO Cc1ccc2c(c1)CC[NH2+][C@H]2c1ccccc1 ZINC000011597489 342841749 /nfs/dbraw/zinc/84/17/49/342841749.db2.gz QRDBGYAEGVDVSF-INIZCTEOSA-N 1 0 223.319 3.230 50 0 BGAARO Cc1ccc(CC([NH3+])Cc2ccc(C)cc2)cc1 ZINC000011600386 342841849 /nfs/dbraw/zinc/84/18/49/342841849.db2.gz SYPSBLFFJDFXSM-UHFFFAOYSA-N 1 0 239.362 3.416 50 0 BGAARO [NH3+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000011600517 181322378 /nfs/dbraw/zinc/32/23/78/181322378.db2.gz KXARUORGIPKTAR-UHFFFAOYSA-N 1 0 247.288 3.077 50 0 BGAARO [NH3+]C(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000011600643 181323121 /nfs/dbraw/zinc/32/31/21/181323121.db2.gz QYJIYFHYABSPIY-UHFFFAOYSA-N 1 0 247.288 3.077 50 0 BGAARO [NH3+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000011601950 181557389 /nfs/dbraw/zinc/55/73/89/181557389.db2.gz CPKFWOPAHHSIJX-AWEZNQCLSA-N 1 0 215.271 3.068 50 0 BGAARO [NH3+][C@H](Cc1ccccc1)c1ccccc1F ZINC000011601952 342841825 /nfs/dbraw/zinc/84/18/25/342841825.db2.gz CPKFWOPAHHSIJX-CQSZACIVSA-N 1 0 215.271 3.068 50 0 BGAARO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000011602826 342841796 /nfs/dbraw/zinc/84/17/96/342841796.db2.gz VXQDRYHDTUWMNI-AWEZNQCLSA-N 1 0 215.271 3.068 50 0 BGAARO [NH3+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000011602830 181624754 /nfs/dbraw/zinc/62/47/54/181624754.db2.gz VXQDRYHDTUWMNI-CQSZACIVSA-N 1 0 215.271 3.068 50 0 BGAARO COc1ccc([C@@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011602890 384292104 /nfs/dbraw/zinc/29/21/04/384292104.db2.gz QAFJUWHHWBGMBQ-HNNXBMFYSA-N 1 0 245.297 3.077 50 0 BGAARO COc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011602895 175191712 /nfs/dbraw/zinc/19/17/12/175191712.db2.gz QAFJUWHHWBGMBQ-OAHLLOKOSA-N 1 0 245.297 3.077 50 0 BGAARO CC(C)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000011630918 342842042 /nfs/dbraw/zinc/84/20/42/342842042.db2.gz DYNAEHFTVFNQEX-UHFFFAOYSA-N 1 0 217.356 3.352 50 0 BGAARO c1sc(C2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000011632077 183381878 /nfs/dbraw/zinc/38/18/78/183381878.db2.gz AWDWQARJWVPBDG-UHFFFAOYSA-N 1 0 244.363 3.277 50 0 BGAARO [NH3+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000011729983 342842652 /nfs/dbraw/zinc/84/26/52/342842652.db2.gz QCZBIUHQGHMDRA-INIZCTEOSA-N 1 0 239.318 3.060 50 0 BGAARO [NH3+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000011729984 342842804 /nfs/dbraw/zinc/84/28/04/342842804.db2.gz QCZBIUHQGHMDRA-MRXNPFEDSA-N 1 0 239.318 3.060 50 0 BGAARO [NH3+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000011730161 342842689 /nfs/dbraw/zinc/84/26/89/342842689.db2.gz PFYRBUIZTFCYNP-GFCCVEGCSA-N 1 0 217.312 3.172 50 0 BGAARO [NH3+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000011730162 342842790 /nfs/dbraw/zinc/84/27/90/342842790.db2.gz PFYRBUIZTFCYNP-LBPRGKRZSA-N 1 0 217.312 3.172 50 0 BGAARO [NH3+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000011730404 384294486 /nfs/dbraw/zinc/29/44/86/384294486.db2.gz FKGVZOIWZNIIAN-UHFFFAOYSA-N 1 0 207.660 3.059 50 0 BGAARO [NH3+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000011730410 384295943 /nfs/dbraw/zinc/29/59/43/384295943.db2.gz QXAFMOCOHJXREB-UHFFFAOYSA-N 1 0 207.660 3.059 50 0 BGAARO [NH3+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000011730416 384295816 /nfs/dbraw/zinc/29/58/16/384295816.db2.gz IILPHDFBPOMDBG-UHFFFAOYSA-N 1 0 241.212 3.424 50 0 BGAARO CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000011757530 384294783 /nfs/dbraw/zinc/29/47/83/384294783.db2.gz WGEDWIJMOODFIG-SNVBAGLBSA-N 1 0 228.133 3.120 50 0 BGAARO CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000011757531 342843342 /nfs/dbraw/zinc/84/33/42/342843342.db2.gz WGEDWIJMOODFIG-JTQLQIEISA-N 1 0 228.133 3.120 50 0 BGAARO CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000011757546 170141027 /nfs/dbraw/zinc/14/10/27/170141027.db2.gz SVIHGJKRUIYHRV-QMMMGPOBSA-N 1 0 228.133 3.120 50 0 BGAARO CC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000011757547 170159234 /nfs/dbraw/zinc/15/92/34/170159234.db2.gz SVIHGJKRUIYHRV-MRVPVSSYSA-N 1 0 228.133 3.120 50 0 BGAARO [NH3+]C[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000011833012 384297042 /nfs/dbraw/zinc/29/70/42/384297042.db2.gz VEUXXHGWZXJIDX-HZPDHXFCSA-N 1 0 223.319 3.071 50 0 BGAARO [NH3+]C[C@]1(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000011833015 384296942 /nfs/dbraw/zinc/29/69/42/384296942.db2.gz VEUXXHGWZXJIDX-CVEARBPZSA-N 1 0 223.319 3.071 50 0 BGAARO [NH3+]C[C@@]1(c2ccccc2)C[C@H]1c1ccccc1 ZINC000011833018 181441233 /nfs/dbraw/zinc/44/12/33/181441233.db2.gz VEUXXHGWZXJIDX-JKSUJKDBSA-N 1 0 223.319 3.071 50 0 BGAARO [NH3+]C[C@]1(c2ccccc2)C[C@H]1c1ccccc1 ZINC000011833019 181470111 /nfs/dbraw/zinc/47/01/11/181470111.db2.gz VEUXXHGWZXJIDX-HOTGVXAUSA-N 1 0 223.319 3.071 50 0 BGAARO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH3+] ZINC000011850334 179866994 /nfs/dbraw/zinc/86/69/94/179866994.db2.gz HBTNKNTXQGZSIS-MRVPVSSYSA-N 1 0 218.325 3.138 50 0 BGAARO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH3+] ZINC000011850335 384297424 /nfs/dbraw/zinc/29/74/24/384297424.db2.gz HBTNKNTXQGZSIS-QMMMGPOBSA-N 1 0 218.325 3.138 50 0 BGAARO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH3+] ZINC000011850336 342843784 /nfs/dbraw/zinc/84/37/84/342843784.db2.gz IHNJTWJQDATSLO-SECBINFHSA-N 1 0 232.352 3.062 50 0 BGAARO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH3+] ZINC000011850337 342843820 /nfs/dbraw/zinc/84/38/20/342843820.db2.gz IHNJTWJQDATSLO-VIFPVBQESA-N 1 0 232.352 3.062 50 0 BGAARO [NH3+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000011850392 342843736 /nfs/dbraw/zinc/84/37/36/342843736.db2.gz TZODCUYMYAIGFR-SNVBAGLBSA-N 1 0 230.336 3.146 50 0 BGAARO [NH3+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000011850393 342843801 /nfs/dbraw/zinc/84/38/01/342843801.db2.gz TZODCUYMYAIGFR-JTQLQIEISA-N 1 0 230.336 3.146 50 0 BGAARO Cc1cccc(Oc2ccc(C[NH3+])cc2)c1 ZINC000011864562 224476260 /nfs/dbraw/zinc/47/62/60/224476260.db2.gz LCTHKXNDILXRIZ-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO [NH3+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000011883793 181412180 /nfs/dbraw/zinc/41/21/80/181412180.db2.gz VHLHAPIVYUGITN-UHFFFAOYSA-N 1 0 231.270 3.119 50 0 BGAARO [NH3+]C1(c2ccc(Cl)cc2)Cc2ccccc2C1 ZINC000011884030 181333818 /nfs/dbraw/zinc/33/38/18/181333818.db2.gz CIEUCZVVBSMCPA-UHFFFAOYSA-N 1 0 243.737 3.293 50 0 BGAARO [NH3+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000011884033 181334029 /nfs/dbraw/zinc/33/40/29/181334029.db2.gz KGYIGTJQINELJP-UHFFFAOYSA-N 1 0 209.720 3.458 50 0 BGAARO [NH3+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000011884119 181362751 /nfs/dbraw/zinc/36/27/51/181362751.db2.gz RUCYJFAAKGHQNI-UHFFFAOYSA-N 1 0 209.720 3.111 50 0 BGAARO CC(C)(C[NH3+])c1ccc(Cl)cc1Cl ZINC000011884491 384301694 /nfs/dbraw/zinc/30/16/94/384301694.db2.gz IJHSMHSWPHPDBK-UHFFFAOYSA-N 1 0 218.127 3.230 50 0 BGAARO [NH3+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000011884530 181362970 /nfs/dbraw/zinc/36/29/70/181362970.db2.gz LBXMYRJMXLLTAH-UHFFFAOYSA-N 1 0 230.138 3.374 50 0 BGAARO CC(C)([NH3+])c1ccc(Cl)cc1Cl ZINC000011884859 384301224 /nfs/dbraw/zinc/30/12/24/384301224.db2.gz OMMFVVXZEQHBLP-UHFFFAOYSA-N 1 0 204.100 3.187 50 0 BGAARO FC(F)(F)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000011919447 384301589 /nfs/dbraw/zinc/30/15/89/384301589.db2.gz GJTLANBQTZXEKL-UHFFFAOYSA-N 1 0 227.229 3.082 50 0 BGAARO Clc1ccc2c(c1)[nH]cc2C1=CC[NH2+]CC1 ZINC000011919698 342844669 /nfs/dbraw/zinc/84/46/69/342844669.db2.gz DQGWEDRPBNHZDE-UHFFFAOYSA-N 1 0 232.714 3.198 50 0 BGAARO CCn1c2ccccc2c2cc(C[NH3+])ccc21 ZINC000011919880 172149173 /nfs/dbraw/zinc/14/91/73/172149173.db2.gz ZBQDOOFHOCKVEX-UHFFFAOYSA-N 1 0 224.307 3.273 50 0 BGAARO [NH3+]Cc1ccccc1COc1ccccc1Cl ZINC000011944887 188105462 /nfs/dbraw/zinc/10/54/62/188105462.db2.gz DFBCTUYJEBUEQY-UHFFFAOYSA-N 1 0 247.725 3.378 50 0 BGAARO Cc1ccc(Oc2ccc(CC[NH3+])cc2)cc1 ZINC000011956850 384305454 /nfs/dbraw/zinc/30/54/54/384305454.db2.gz JVVGWXKCADJFBM-UHFFFAOYSA-N 1 0 227.307 3.289 50 0 BGAARO Cc1cccc(COc2ccc(C[NH3+])cc2)c1 ZINC000011958067 187931746 /nfs/dbraw/zinc/93/17/46/187931746.db2.gz MBKANZLKIZDCMS-UHFFFAOYSA-N 1 0 227.307 3.033 50 0 BGAARO Cc1ccc(Cl)c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000012137849 342847060 /nfs/dbraw/zinc/84/70/60/342847060.db2.gz AUVWKCRPRNFWPO-LLVKDONJSA-N 1 0 239.746 3.027 50 0 BGAARO Cc1ccc(Cl)c(OC[C@H]2CCC[NH2+]C2)c1 ZINC000012137850 342846862 /nfs/dbraw/zinc/84/68/62/342846862.db2.gz AUVWKCRPRNFWPO-NSHDSACASA-N 1 0 239.746 3.027 50 0 BGAARO C[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000012199175 205459671 /nfs/dbraw/zinc/45/96/71/205459671.db2.gz RUMOINYFKUXZDN-LBPRGKRZSA-N 1 0 221.319 3.100 50 0 BGAARO C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000012199185 173039241 /nfs/dbraw/zinc/03/92/41/173039241.db2.gz RUMOINYFKUXZDN-GFCCVEGCSA-N 1 0 221.319 3.100 50 0 BGAARO Fc1ccc(N[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000012297155 342848731 /nfs/dbraw/zinc/84/87/31/342848731.db2.gz BAYRCVNISRRATI-CQSZACIVSA-N 1 0 248.345 3.255 50 0 BGAARO Fc1ccc(N[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000012297156 342848986 /nfs/dbraw/zinc/84/89/86/342848986.db2.gz BAYRCVNISRRATI-AWEZNQCLSA-N 1 0 248.345 3.255 50 0 BGAARO CC[N@@H+]1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 ZINC000012319887 350018435 /nfs/dbraw/zinc/01/84/35/350018435.db2.gz LUDICEYUDZYRAF-OAHLLOKOSA-N 1 0 232.371 3.200 50 0 BGAARO CC[N@@H+]1CCC[C@H](Nc2ccc(C)c(C)c2)C1 ZINC000012319890 350018453 /nfs/dbraw/zinc/01/84/53/350018453.db2.gz LUDICEYUDZYRAF-HNNXBMFYSA-N 1 0 232.371 3.200 50 0 BGAARO CC[n+]1c(/C=C(/C)OC)sc2ccccc21 ZINC000012341452 343047633 /nfs/dbraw/zinc/04/76/33/343047633.db2.gz UHGQTUUQYDBKSJ-KTKRTIGZSA-N 1 0 234.344 3.216 50 0 BGAARO C[n+]1c(-c2ccccc2)cn2c1-c1ccccc1C2 ZINC000012341671 188459879 /nfs/dbraw/zinc/45/98/79/188459879.db2.gz AIZCTJBGFAPMSB-UHFFFAOYSA-N 1 0 247.321 3.008 50 0 BGAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(F)cc1 ZINC000012359659 173386700 /nfs/dbraw/zinc/38/67/00/173386700.db2.gz AOFOTZLQDPZPFB-UHFFFAOYSA-N 1 0 249.260 3.477 50 0 BGAARO C[NH2+]Cc1c(F)cccc1Oc1ccccc1 ZINC000012359661 173384910 /nfs/dbraw/zinc/38/49/10/173384910.db2.gz CGOILZOWCKRCDY-UHFFFAOYSA-N 1 0 231.270 3.337 50 0 BGAARO C[NH2+]Cc1cc(F)ccc1Oc1ccccc1 ZINC000012359682 173386737 /nfs/dbraw/zinc/38/67/37/173386737.db2.gz JDHPXUQPTBDLHJ-UHFFFAOYSA-N 1 0 231.270 3.337 50 0 BGAARO C[NH2+]Cc1ccccc1Oc1ccc(F)cc1 ZINC000012359686 173390550 /nfs/dbraw/zinc/39/05/50/173390550.db2.gz BSDBBIKNDVSUNF-UHFFFAOYSA-N 1 0 231.270 3.337 50 0 BGAARO C[NH2+]Cc1ccccc1-c1ccccc1OC ZINC000012359700 187414544 /nfs/dbraw/zinc/41/45/44/187414544.db2.gz OIHJWTIPKKLRDQ-UHFFFAOYSA-N 1 0 227.307 3.082 50 0 BGAARO CC1(C)CCC(C)(C)c2cc(C[NH3+])ccc21 ZINC000012370190 187414184 /nfs/dbraw/zinc/41/41/84/187414184.db2.gz GVSNYOXKXQRGRC-UHFFFAOYSA-N 1 0 217.356 3.494 50 0 BGAARO C[NH2+]Cc1cccc(-c2cccs2)c1 ZINC000012370292 384313953 /nfs/dbraw/zinc/31/39/53/384313953.db2.gz BIULJOFRQMLCQK-UHFFFAOYSA-N 1 0 203.310 3.135 50 0 BGAARO C[NH2+]Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012370330 173393375 /nfs/dbraw/zinc/39/33/75/173393375.db2.gz YHQACXKNKUPSSA-UHFFFAOYSA-N 1 0 238.743 3.183 50 0 BGAARO C[NH2+]Cc1cccc(-c2ccsc2)c1 ZINC000012370365 384312681 /nfs/dbraw/zinc/31/26/81/384312681.db2.gz SNXSVYZFYWVLHK-UHFFFAOYSA-N 1 0 203.310 3.135 50 0 BGAARO c1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000012376481 384317571 /nfs/dbraw/zinc/31/75/71/384317571.db2.gz CNKNITYCQODULW-UHFFFAOYSA-N 1 0 203.329 3.357 50 0 BGAARO C[NH2+]C/C=C/COc1cccc(C(C)(C)C)c1 ZINC000012381762 173321366 /nfs/dbraw/zinc/32/13/66/173321366.db2.gz DKUNEBVZDCLSAD-AATRIKPKSA-N 1 0 233.355 3.139 50 0 BGAARO CC(C)(C)c1cccc(OCCn2ccnc2)c1 ZINC000012381765 384315838 /nfs/dbraw/zinc/31/58/38/384315838.db2.gz ZEDGHFRKLFYGQA-UHFFFAOYSA-N 1 0 244.338 3.260 50 0 BGAARO C[NH2+]C/C=C/COc1ccccc1C(C)(C)C ZINC000012381770 173321461 /nfs/dbraw/zinc/32/14/61/173321461.db2.gz XMDYAPQEXVUEEO-BQYQJAHWSA-N 1 0 233.355 3.139 50 0 BGAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCOCC1 ZINC000012383407 387022006 /nfs/dbraw/zinc/02/20/06/387022006.db2.gz GTJUGVNNIFPTRJ-CQSZACIVSA-N 1 0 225.376 3.091 50 0 BGAARO c1ccc2c(c1)cccc2NC[C@H]1CCC[NH2+]1 ZINC000012404711 384318608 /nfs/dbraw/zinc/31/86/08/384318608.db2.gz SRYXYJQVUDCZIG-CYBMUJFWSA-N 1 0 226.323 3.004 50 0 BGAARO c1ccc2c(c1)cccc2NC[C@@H]1CCC[NH2+]1 ZINC000012404712 384318544 /nfs/dbraw/zinc/31/85/44/384318544.db2.gz SRYXYJQVUDCZIG-ZDUSSCGKSA-N 1 0 226.323 3.004 50 0 BGAARO Clc1ccc(NC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000012404719 180582588 /nfs/dbraw/zinc/58/25/88/180582588.db2.gz VIDKCBAAQDVCQS-VIFPVBQESA-N 1 0 245.153 3.157 50 0 BGAARO Clc1ccc(NC[C@H]2CCC[NH2+]2)cc1Cl ZINC000012404720 342851528 /nfs/dbraw/zinc/85/15/28/342851528.db2.gz VIDKCBAAQDVCQS-SECBINFHSA-N 1 0 245.153 3.157 50 0 BGAARO c1cc(C[NH2+]Cc2ccsc2)cs1 ZINC000012404741 183351883 /nfs/dbraw/zinc/35/18/83/183351883.db2.gz XTHUEYDCVKOMAL-UHFFFAOYSA-N 1 0 209.339 3.099 50 0 BGAARO Clc1ccc(NC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000012404759 342851583 /nfs/dbraw/zinc/85/15/83/342851583.db2.gz QLTUBMHLTQRLIG-VIFPVBQESA-N 1 0 245.153 3.157 50 0 BGAARO Clc1ccc(NC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000012404760 342851455 /nfs/dbraw/zinc/85/14/55/342851455.db2.gz QLTUBMHLTQRLIG-SECBINFHSA-N 1 0 245.153 3.157 50 0 BGAARO Clc1cc(Cl)cc(NC[C@@H]2CCC[NH2+]2)c1 ZINC000012404761 180575575 /nfs/dbraw/zinc/57/55/75/180575575.db2.gz DNGUMKMIOVOWJI-JTQLQIEISA-N 1 0 245.153 3.157 50 0 BGAARO Clc1cc(Cl)cc(NC[C@H]2CCC[NH2+]2)c1 ZINC000012404762 342851611 /nfs/dbraw/zinc/85/16/11/342851611.db2.gz DNGUMKMIOVOWJI-SNVBAGLBSA-N 1 0 245.153 3.157 50 0 BGAARO c1ccc2cc(NC[C@H]3CCC[NH2+]3)ccc2c1 ZINC000012404763 384319947 /nfs/dbraw/zinc/31/99/47/384319947.db2.gz ODOOCQWSWZWLQU-OAHLLOKOSA-N 1 0 226.323 3.004 50 0 BGAARO c1ccc2cc(NC[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000012404764 384320393 /nfs/dbraw/zinc/32/03/93/384320393.db2.gz ODOOCQWSWZWLQU-HNNXBMFYSA-N 1 0 226.323 3.004 50 0 BGAARO NC(=[NH2+])SCc1ccc(Cl)cc1Cl ZINC000012428494 181192279 /nfs/dbraw/zinc/19/22/79/181192279.db2.gz KTXXYZBSQYXMPO-UHFFFAOYSA-N 1 0 235.139 3.120 50 0 in-vivo BGAARO CCC[N@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000012456554 348536121 /nfs/dbraw/zinc/53/61/21/348536121.db2.gz UNRVHXOMZRBWQF-CYBMUJFWSA-N 1 0 249.354 3.078 50 0 BGAARO CCC[N@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000012456557 348536208 /nfs/dbraw/zinc/53/62/08/348536208.db2.gz UNRVHXOMZRBWQF-ZDUSSCGKSA-N 1 0 249.354 3.078 50 0 BGAARO CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000012484710 342852692 /nfs/dbraw/zinc/85/26/92/342852692.db2.gz OKPSOLCMYZFMIM-GFCCVEGCSA-N 1 0 243.354 3.084 50 0 BGAARO CC(C)n1c2ccccc2nc1[C@H]1CCC[NH2+]C1 ZINC000012484717 342852761 /nfs/dbraw/zinc/85/27/61/342852761.db2.gz OKPSOLCMYZFMIM-LBPRGKRZSA-N 1 0 243.354 3.084 50 0 BGAARO CC(C)CCOc1ccc([C@@H](C)[NH3+])cc1 ZINC000012506352 384322150 /nfs/dbraw/zinc/32/21/50/384322150.db2.gz BXDVYYXCTVFKDC-LLVKDONJSA-N 1 0 207.317 3.131 50 0 BGAARO CC(C)CCOc1ccc([C@H](C)[NH3+])cc1 ZINC000012506354 384322392 /nfs/dbraw/zinc/32/23/92/384322392.db2.gz BXDVYYXCTVFKDC-NSHDSACASA-N 1 0 207.317 3.131 50 0 BGAARO C[C@H]([NH3+])c1ccc(-n2cnc3ccccc32)cc1 ZINC000012506499 176775494 /nfs/dbraw/zinc/77/54/94/176775494.db2.gz JWKQQHRYFAEGCX-NSHDSACASA-N 1 0 237.306 3.045 50 0 BGAARO C[C@@H]([NH3+])c1c(Cl)ccc(F)c1Cl ZINC000012506509 384321879 /nfs/dbraw/zinc/32/18/79/384321879.db2.gz CACPRGLQLUXAOA-SCSAIBSYSA-N 1 0 208.063 3.152 50 0 BGAARO C[C@H]([NH3+])c1c(Cl)ccc(F)c1Cl ZINC000012506511 342852901 /nfs/dbraw/zinc/85/29/01/342852901.db2.gz CACPRGLQLUXAOA-BYPYZUCNSA-N 1 0 208.063 3.152 50 0 BGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)C)cc1 ZINC000012540585 178331211 /nfs/dbraw/zinc/33/12/11/178331211.db2.gz ZPQWDEWZFCHRBN-UHFFFAOYSA-N 1 0 243.354 3.131 50 0 BGAARO CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000012553568 168184800 /nfs/dbraw/zinc/18/48/00/168184800.db2.gz PRUPBZIORIFAKY-UHFFFAOYSA-N 1 0 230.311 3.060 50 0 BGAARO COc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000012650694 175180168 /nfs/dbraw/zinc/18/01/68/175180168.db2.gz CCICTLJYDLLZDO-AWEZNQCLSA-N 1 0 247.725 3.397 50 0 BGAARO CCC1(CC)N(O)C(C)=C(c2ccccc2)[N+]1=O ZINC000012729995 168463414 /nfs/dbraw/zinc/46/34/14/168463414.db2.gz RUXIBSLZGMJINV-UHFFFAOYSA-N 1 0 247.318 3.375 50 0 BGAARO CC1=C(c2ccccc2)[N+](=O)C2(CCCC2)N1O ZINC000012730024 168088647 /nfs/dbraw/zinc/08/86/47/168088647.db2.gz KUIZNEKCURVIPZ-UHFFFAOYSA-N 1 0 245.302 3.129 50 0 BGAARO C[C@@H]1C[N@H+](C)[C@@H](C)c2c3cc(N)ccc3oc21 ZINC000013125083 384348620 /nfs/dbraw/zinc/34/86/20/384348620.db2.gz QMKJMCYBXWJHIO-BDAKNGLRSA-N 1 0 230.311 3.125 50 0 BGAARO C[C@H]1C[N@H+](C)[C@@H](C)c2c3cc(N)ccc3oc21 ZINC000013125084 177239304 /nfs/dbraw/zinc/23/93/04/177239304.db2.gz QMKJMCYBXWJHIO-IUCAKERBSA-N 1 0 230.311 3.125 50 0 BGAARO CC1=C(/C=C/c2ccccc2)CC[N@@H+](C)C1 ZINC000013125106 168074623 /nfs/dbraw/zinc/07/46/23/168074623.db2.gz WEPGXCWHRMZPKY-CMDGGOBGSA-N 1 0 213.324 3.352 50 0 BGAARO Cc1ccnc2c1CCN2c1ccccc1 ZINC000013208139 384349316 /nfs/dbraw/zinc/34/93/16/384349316.db2.gz BQGBTYODGBKYOF-UHFFFAOYSA-N 1 0 210.280 3.084 50 0 BGAARO CCCC[N@H+](C)CC(=O)c1c[nH]c2ccccc12 ZINC000013362231 342866419 /nfs/dbraw/zinc/86/64/19/342866419.db2.gz IJAHTDNUGPKZRC-UHFFFAOYSA-N 1 0 244.338 3.083 50 0 BGAARO Cc1cccc(C)c1OC[C@H]([NH3+])c1ccccc1 ZINC000013529807 179048165 /nfs/dbraw/zinc/04/81/65/179048165.db2.gz JOWUPKGSTQTEBZ-HNNXBMFYSA-N 1 0 241.334 3.382 50 0 BGAARO Cc1cccc(C)c1OC[C@@H]([NH3+])c1ccccc1 ZINC000013529809 179047771 /nfs/dbraw/zinc/04/77/71/179047771.db2.gz JOWUPKGSTQTEBZ-OAHLLOKOSA-N 1 0 241.334 3.382 50 0 BGAARO C[C@@H]1C[N@@H+](C(C)(C)C)CC[C@@]1(O)c1ccccc1 ZINC000013635486 176266262 /nfs/dbraw/zinc/26/62/62/176266262.db2.gz BXLPAZLWXATNBH-CJNGLKHVSA-N 1 0 247.382 3.015 50 0 BGAARO C[C@H]1C[N@@H+](C(C)(C)C)CC[C@@]1(O)c1ccccc1 ZINC000013635491 177232802 /nfs/dbraw/zinc/23/28/02/177232802.db2.gz BXLPAZLWXATNBH-BBRMVZONSA-N 1 0 247.382 3.015 50 0 BGAARO CCC[C@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000013682035 384368194 /nfs/dbraw/zinc/36/81/94/384368194.db2.gz YDIIDRWHPFMLGR-CQSZACIVSA-N 1 0 231.339 3.134 50 0 in-vivo BGAARO CCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000013682037 169347519 /nfs/dbraw/zinc/34/75/19/169347519.db2.gz YDIIDRWHPFMLGR-AWEZNQCLSA-N 1 0 231.339 3.134 50 0 in-vivo BGAARO COc1ccc([C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000013688616 175182879 /nfs/dbraw/zinc/18/28/79/175182879.db2.gz CLQPRFUNRGEIHC-AWEZNQCLSA-N 1 0 227.307 3.273 50 0 BGAARO COc1ccc([C@H]2CCC[NH2+]2)c2ccccc12 ZINC000013688618 175194555 /nfs/dbraw/zinc/19/45/55/175194555.db2.gz CLQPRFUNRGEIHC-CQSZACIVSA-N 1 0 227.307 3.273 50 0 BGAARO CCCCOCCC[NH2+]Cc1ccc(C)cc1 ZINC000013717802 384370145 /nfs/dbraw/zinc/37/01/45/384370145.db2.gz JTQJNKWKUZRWJA-UHFFFAOYSA-N 1 0 235.371 3.291 50 0 BGAARO CC(C)OCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000013717816 167223415 /nfs/dbraw/zinc/22/34/15/167223415.db2.gz OIKSTYLVVMYNDQ-UHFFFAOYSA-N 1 0 241.762 3.245 50 0 BGAARO CC(C)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000013717818 166861641 /nfs/dbraw/zinc/86/16/41/166861641.db2.gz YTSZEZXZGNXLGI-UHFFFAOYSA-N 1 0 211.736 3.476 50 0 BGAARO COc1ccccc1CC[NH2+]Cc1cccs1 ZINC000013717830 175323751 /nfs/dbraw/zinc/32/37/51/175323751.db2.gz DCDOMRWVYFKVJQ-UHFFFAOYSA-N 1 0 247.363 3.089 50 0 BGAARO c1cc(C[NH2+]CCC2=CCCCC2)ccn1 ZINC000013717847 187760718 /nfs/dbraw/zinc/76/07/18/187760718.db2.gz YZCHEEQTGDPXFI-UHFFFAOYSA-N 1 0 216.328 3.062 50 0 BGAARO c1cncc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013717854 187587447 /nfs/dbraw/zinc/58/74/47/187587447.db2.gz WCKAYQGAMZNKBO-UHFFFAOYSA-N 1 0 216.328 3.062 50 0 BGAARO CCCCOCCC[NH2+]Cc1ccc(F)cc1 ZINC000013717860 384368301 /nfs/dbraw/zinc/36/83/01/384368301.db2.gz QUPQOSBDAAGKSQ-UHFFFAOYSA-N 1 0 239.334 3.122 50 0 BGAARO OCCCCC[NH2+]Cc1cccc2ccccc21 ZINC000013717877 183047199 /nfs/dbraw/zinc/04/71/99/183047199.db2.gz GBNHKXVVRRRWIX-UHFFFAOYSA-N 1 0 243.350 3.092 50 0 BGAARO COCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000013717878 174248505 /nfs/dbraw/zinc/24/85/05/174248505.db2.gz QLIUSWKKUGLHPO-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO COCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000013717885 174247651 /nfs/dbraw/zinc/24/76/51/174247651.db2.gz DEYPBMPQULQKPA-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO CCCCOCCC[NH2+]C/C=C/c1ccccc1 ZINC000013717901 355856764 /nfs/dbraw/zinc/85/67/64/355856764.db2.gz KOSDPJANTQAFIR-YRNVUSSQSA-N 1 0 247.382 3.496 50 0 BGAARO CC(C)CC[NH2+]C/C=C/c1ccccc1 ZINC000013717908 385415626 /nfs/dbraw/zinc/41/56/26/385415626.db2.gz YYFDRENATDCYCG-RMKNXTFCSA-N 1 0 203.329 3.336 50 0 BGAARO CCC(C)(C)[NH2+]C/C=C/c1ccccc1 ZINC000013717910 168297864 /nfs/dbraw/zinc/29/78/64/168297864.db2.gz GXYNZEWHOVGXPE-DHZHZOJOSA-N 1 0 203.329 3.478 50 0 BGAARO CCCCOCCC[NH2+]Cc1ccc(C)s1 ZINC000013717930 384369012 /nfs/dbraw/zinc/36/90/12/384369012.db2.gz HSQZHZBBUPEWKR-UHFFFAOYSA-N 1 0 241.400 3.353 50 0 BGAARO COc1ccccc1C[NH2+]Cc1ccc(C)s1 ZINC000013717932 384371108 /nfs/dbraw/zinc/37/11/08/384371108.db2.gz PIFWLOADXRGBPX-UHFFFAOYSA-N 1 0 247.363 3.355 50 0 BGAARO CCOc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000013717963 342870975 /nfs/dbraw/zinc/87/09/75/342870975.db2.gz CLLSLFXDDGIIPN-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CCOc1ccc(C[NH2+]C(C)(C)CC)cc1 ZINC000013717965 170544764 /nfs/dbraw/zinc/54/47/64/170544764.db2.gz MBUYWYOSODSFEP-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CCOc1ccccc1C[NH2+]CCC(C)C ZINC000013717977 342871002 /nfs/dbraw/zinc/87/10/02/342871002.db2.gz LPQJXMFRIGSUAK-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CCOc1ccccc1C[NH2+]C(C)(C)CC ZINC000013717978 170591636 /nfs/dbraw/zinc/59/16/36/170591636.db2.gz VSMIBMKDYBIKBM-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CCc1ccc(C[NH2+]CCCOC(C)C)cc1 ZINC000013717984 171805143 /nfs/dbraw/zinc/80/51/43/171805143.db2.gz GRNWGTHKKMGUGB-UHFFFAOYSA-N 1 0 235.371 3.154 50 0 BGAARO CCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000013717989 384371056 /nfs/dbraw/zinc/37/10/56/384371056.db2.gz BZOJQAVEPFIHGR-UHFFFAOYSA-N 1 0 205.345 3.385 50 0 BGAARO CCOc1cccc(C[NH2+]CCC(C)C)c1 ZINC000013718059 170577602 /nfs/dbraw/zinc/57/76/02/170577602.db2.gz KDYCYDSUMWOZMB-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CCOc1cccc(C[NH2+]C(C)(C)CC)c1 ZINC000013718061 170577325 /nfs/dbraw/zinc/57/73/25/170577325.db2.gz DAKUPLZUMBKBCW-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC(C)OCCC[NH2+]Cc1ccccc1Cl ZINC000013718163 384373434 /nfs/dbraw/zinc/37/34/34/384373434.db2.gz NJZXUQONHGUFRE-UHFFFAOYSA-N 1 0 241.762 3.245 50 0 BGAARO CC(C)CC[NH2+]Cc1ccccc1Cl ZINC000013718168 384372592 /nfs/dbraw/zinc/37/25/92/384372592.db2.gz UMJCDTWQDLUFJB-UHFFFAOYSA-N 1 0 211.736 3.476 50 0 BGAARO CC(C)CC[NH2+]Cc1cccc(Cl)c1 ZINC000013718178 385416257 /nfs/dbraw/zinc/41/62/57/385416257.db2.gz JLCFPCPYTSUFSO-UHFFFAOYSA-N 1 0 211.736 3.476 50 0 BGAARO COCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000013718182 174247750 /nfs/dbraw/zinc/24/77/50/174247750.db2.gz ARQUPSPCVKGCEN-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO COCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000013718190 174248727 /nfs/dbraw/zinc/24/87/27/174248727.db2.gz PMHCGDYXTYPXGD-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO CCCCOCCC[NH2+]Cc1ccccc1F ZINC000013718203 384371160 /nfs/dbraw/zinc/37/11/60/384371160.db2.gz PLRKKPPEGAOHCG-UHFFFAOYSA-N 1 0 239.334 3.122 50 0 BGAARO CCCCOCCC[NH2+]Cc1ccccc1C ZINC000013718224 384373079 /nfs/dbraw/zinc/37/30/79/384373079.db2.gz YDSZCOUJXPIYNJ-UHFFFAOYSA-N 1 0 235.371 3.291 50 0 BGAARO Clc1ccc(CC[NH2+]Cc2ccco2)cc1 ZINC000013718258 342870834 /nfs/dbraw/zinc/87/08/34/342870834.db2.gz MFIQQCHIQHICFL-UHFFFAOYSA-N 1 0 235.714 3.265 50 0 BGAARO c1coc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013718264 384371123 /nfs/dbraw/zinc/37/11/23/384371123.db2.gz WFEIKPXCUOPYEW-UHFFFAOYSA-N 1 0 205.301 3.260 50 0 BGAARO COc1ccc(Cl)cc1C[NH2+]CCC(C)C ZINC000013718274 175120841 /nfs/dbraw/zinc/12/08/41/175120841.db2.gz FYDWXIBYXQRYLR-UHFFFAOYSA-N 1 0 241.762 3.484 50 0 BGAARO CC(C)c1ccc(C[NH2+]CCCCCO)cc1 ZINC000013718293 342870990 /nfs/dbraw/zinc/87/09/90/342870990.db2.gz NZEIXMFYFODWPH-UHFFFAOYSA-N 1 0 235.371 3.062 50 0 BGAARO COCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000013718295 174248540 /nfs/dbraw/zinc/24/85/40/174248540.db2.gz IHCDRHZMGDNWPG-UHFFFAOYSA-N 1 0 245.322 3.073 50 0 BGAARO Clc1ccc(CC[NH2+]Cc2ccccn2)cc1 ZINC000013718319 180578774 /nfs/dbraw/zinc/57/87/74/180578774.db2.gz CEYOQZSHNVACOG-UHFFFAOYSA-N 1 0 246.741 3.067 50 0 BGAARO c1ccc(C[NH2+]CCC2=CCCCC2)nc1 ZINC000013718321 188280160 /nfs/dbraw/zinc/28/01/60/188280160.db2.gz SYKPBPYYGXYVLW-UHFFFAOYSA-N 1 0 216.328 3.062 50 0 BGAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccn1 ZINC000013718328 342870861 /nfs/dbraw/zinc/87/08/61/342870861.db2.gz IZBCTAYCSYMCGH-AWEZNQCLSA-N 1 0 240.350 3.193 50 0 BGAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccn1 ZINC000013718330 342870845 /nfs/dbraw/zinc/87/08/45/342870845.db2.gz IZBCTAYCSYMCGH-CQSZACIVSA-N 1 0 240.350 3.193 50 0 BGAARO CCCCOCCC[NH2+]CCc1ccccc1 ZINC000013718385 384372291 /nfs/dbraw/zinc/37/22/91/384372291.db2.gz FZUHGAGULGFSOP-UHFFFAOYSA-N 1 0 235.371 3.026 50 0 BGAARO CC(C)OCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718448 167221167 /nfs/dbraw/zinc/22/11/67/167221167.db2.gz MZIXMIKUNRNTKT-CQSZACIVSA-N 1 0 235.371 3.195 50 0 BGAARO CC(C)OCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000013718451 167224269 /nfs/dbraw/zinc/22/42/69/167224269.db2.gz MZIXMIKUNRNTKT-AWEZNQCLSA-N 1 0 235.371 3.195 50 0 BGAARO CC(C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718465 385416339 /nfs/dbraw/zinc/41/63/39/385416339.db2.gz NEDXEPWFHJMLLA-CYBMUJFWSA-N 1 0 205.345 3.426 50 0 BGAARO CC(C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000013718468 166859055 /nfs/dbraw/zinc/85/90/55/166859055.db2.gz NEDXEPWFHJMLLA-ZDUSSCGKSA-N 1 0 205.345 3.426 50 0 BGAARO COc1ccccc1CC[NH2+]CC1CCCCC1 ZINC000013718556 175323202 /nfs/dbraw/zinc/32/32/02/175323202.db2.gz KUORWPJCXNPFEO-UHFFFAOYSA-N 1 0 247.382 3.408 50 0 BGAARO CCCCOCCC[NH2+]CC1CCCCC1 ZINC000013718557 384373135 /nfs/dbraw/zinc/37/31/35/384373135.db2.gz GRRWVPFYGPFFEU-UHFFFAOYSA-N 1 0 227.392 3.363 50 0 BGAARO COc1ccccc1C[NH2+]CC1CCCCC1 ZINC000013718561 187251225 /nfs/dbraw/zinc/25/12/25/187251225.db2.gz RBJONCOBVSNJEY-UHFFFAOYSA-N 1 0 233.355 3.365 50 0 BGAARO C[N@H+]1CC=C(c2c[nH]c3ccc(F)cc32)CC1 ZINC000013731824 342870972 /nfs/dbraw/zinc/87/09/72/342870972.db2.gz XFERGYRFFJXSGI-UHFFFAOYSA-N 1 0 230.286 3.026 50 0 BGAARO CCC[N@@H+]1CCC[C@@H](c2cccc(OC)c2)C1 ZINC000013738257 169195075 /nfs/dbraw/zinc/19/50/75/169195075.db2.gz IOENUXNLWXMOQG-CQSZACIVSA-N 1 0 233.355 3.285 50 0 BGAARO CC1=C[C@H](C)[C@@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC000013765225 168131087 /nfs/dbraw/zinc/13/10/87/168131087.db2.gz LYDDCMLXSZPXMZ-MELADBBJSA-N 1 0 209.377 3.470 50 0 BGAARO CC1=C[C@H](C)[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC000013765228 168130626 /nfs/dbraw/zinc/13/06/26/168130626.db2.gz LYDDCMLXSZPXMZ-BFHYXJOUSA-N 1 0 209.377 3.470 50 0 BGAARO c1c(C[NH2+]Cc2ccccc2)[nH]c2ccccc12 ZINC000013807947 384894239 /nfs/dbraw/zinc/89/42/39/384894239.db2.gz CCDCVAKHGAIARI-UHFFFAOYSA-N 1 0 236.318 3.458 50 0 in-vivo BGAARO CCC[NH2+][C@H](CCC)Cc1ccccc1 ZINC000013883275 169289067 /nfs/dbraw/zinc/28/90/67/169289067.db2.gz PBENSVGEGPJNFJ-CQSZACIVSA-N 1 0 205.345 3.397 50 0 BGAARO Cc1ccsc1[C@@H]([NH3+])Cc1ccccc1 ZINC000013895980 342873579 /nfs/dbraw/zinc/87/35/79/342873579.db2.gz VCWBYJUTEWCXHW-LBPRGKRZSA-N 1 0 217.337 3.299 50 0 BGAARO Brc1cccc(C[NH+]2CCCC2)c1 ZINC000014193484 166101083 /nfs/dbraw/zinc/10/10/83/166101083.db2.gz LSOHXSNZFGGNPZ-UHFFFAOYSA-N 1 0 240.144 3.045 50 0 BGAARO CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000014193585 168184230 /nfs/dbraw/zinc/18/42/30/168184230.db2.gz LFUXHOMKZQSFPR-UHFFFAOYSA-N 1 0 207.292 3.058 50 0 BGAARO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000014193649 176102482 /nfs/dbraw/zinc/10/24/82/176102482.db2.gz FAMROCFULMJGDX-LLVKDONJSA-N 1 0 207.292 3.058 50 0 BGAARO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000014193650 177102442 /nfs/dbraw/zinc/10/24/42/177102442.db2.gz FAMROCFULMJGDX-NSHDSACASA-N 1 0 207.292 3.058 50 0 BGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000014193786 176074163 /nfs/dbraw/zinc/07/41/63/176074163.db2.gz FPTPOIJDZAYUFH-LLVKDONJSA-N 1 0 207.292 3.200 50 0 BGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000014193787 177076658 /nfs/dbraw/zinc/07/66/58/177076658.db2.gz FPTPOIJDZAYUFH-NSHDSACASA-N 1 0 207.292 3.200 50 0 BGAARO c1ccc2c(c1)cccc2[C@H]1CCC[NH2+]C1 ZINC000014628968 183440142 /nfs/dbraw/zinc/44/01/42/183440142.db2.gz WFIGZOLXTMXGGX-ZDUSSCGKSA-N 1 0 211.308 3.307 50 0 BGAARO Cc1cc(C)c(C2CC[NH2+]CC2)cc1C ZINC000014629000 384396398 /nfs/dbraw/zinc/39/63/98/384396398.db2.gz FDTMCQVEYOFOCB-UHFFFAOYSA-N 1 0 203.329 3.079 50 0 BGAARO CC(C)(C)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000014629020 384396572 /nfs/dbraw/zinc/39/65/72/384396572.db2.gz WVOOEDDRRXWYSR-UHFFFAOYSA-N 1 0 217.356 3.451 50 0 BGAARO Fc1ccc([C@@H]2CCCCC[NH2+]2)cc1F ZINC000014629022 342882895 /nfs/dbraw/zinc/88/28/95/342882895.db2.gz JGVUNRUXHFNXHC-LBPRGKRZSA-N 1 0 211.255 3.170 50 0 in-vitro BGAARO Fc1ccc([C@H]2CCCCC[NH2+]2)cc1F ZINC000014629024 180983535 /nfs/dbraw/zinc/98/35/35/180983535.db2.gz JGVUNRUXHFNXHC-GFCCVEGCSA-N 1 0 211.255 3.170 50 0 in-vitro BGAARO COc1ccc(F)cc1[C@@H]1CCCCC[NH2+]1 ZINC000014629031 175133390 /nfs/dbraw/zinc/13/33/90/175133390.db2.gz UIZJEQKILOKIAQ-LBPRGKRZSA-N 1 0 223.291 3.039 50 0 BGAARO COc1ccc(F)cc1[C@H]1CCCCC[NH2+]1 ZINC000014629033 175134659 /nfs/dbraw/zinc/13/46/59/175134659.db2.gz UIZJEQKILOKIAQ-GFCCVEGCSA-N 1 0 223.291 3.039 50 0 BGAARO COc1ccc(C)cc1[C@@H]1CCCCC[NH2+]1 ZINC000014629037 175080172 /nfs/dbraw/zinc/08/01/72/175080172.db2.gz BCCPTHINAVILIQ-ZDUSSCGKSA-N 1 0 219.328 3.208 50 0 BGAARO COc1ccc(C)cc1[C@H]1CCCCC[NH2+]1 ZINC000014629039 175082266 /nfs/dbraw/zinc/08/22/66/175082266.db2.gz BCCPTHINAVILIQ-CYBMUJFWSA-N 1 0 219.328 3.208 50 0 BGAARO COc1ccc([C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000014629043 175182112 /nfs/dbraw/zinc/18/21/12/175182112.db2.gz YYLNOIHGYAHXEM-AWEZNQCLSA-N 1 0 219.328 3.208 50 0 BGAARO COc1ccc([C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000014629045 175194235 /nfs/dbraw/zinc/19/42/35/175194235.db2.gz YYLNOIHGYAHXEM-CQSZACIVSA-N 1 0 219.328 3.208 50 0 BGAARO CCOc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000014629053 342882763 /nfs/dbraw/zinc/88/27/63/342882763.db2.gz SYCZZIGQKRWZQC-AWEZNQCLSA-N 1 0 219.328 3.290 50 0 BGAARO CCOc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000014629055 170586519 /nfs/dbraw/zinc/58/65/19/170586519.db2.gz SYCZZIGQKRWZQC-CQSZACIVSA-N 1 0 219.328 3.290 50 0 BGAARO Cc1ccc(-c2ccccc2C[NH3+])cc1C ZINC000014629061 178326548 /nfs/dbraw/zinc/32/65/48/178326548.db2.gz RDHVFVQWKBTWPO-UHFFFAOYSA-N 1 0 211.308 3.429 50 0 BGAARO COc1ccc(-c2ccccc2C[NH3+])c(C)c1 ZINC000014629067 175034920 /nfs/dbraw/zinc/03/49/20/175034920.db2.gz CRMNGKGJSMHMHF-UHFFFAOYSA-N 1 0 227.307 3.129 50 0 BGAARO Cc1ccc(-c2ccc(F)c(C[NH3+])c2)cc1 ZINC000014629073 178324028 /nfs/dbraw/zinc/32/40/28/178324028.db2.gz RMHFWDLMLIXTMQ-UHFFFAOYSA-N 1 0 215.271 3.260 50 0 BGAARO Cc1ccccc1-c1ccc(F)c(C[NH3+])c1 ZINC000014629075 179235242 /nfs/dbraw/zinc/23/52/42/179235242.db2.gz GTTIRCQIXAFVJJ-UHFFFAOYSA-N 1 0 215.271 3.260 50 0 BGAARO Cc1cccc(-c2ccc(F)c(C[NH3+])c2)c1 ZINC000014629077 342882775 /nfs/dbraw/zinc/88/27/75/342882775.db2.gz UWCAQKMUNIKXNC-UHFFFAOYSA-N 1 0 215.271 3.260 50 0 BGAARO [NH3+]Cc1cc(-c2ccc(F)cc2)ccc1F ZINC000014629079 384396054 /nfs/dbraw/zinc/39/60/54/384396054.db2.gz GBLBQYYSVJCZIX-UHFFFAOYSA-N 1 0 219.234 3.091 50 0 BGAARO CC(C)c1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000014631218 342883003 /nfs/dbraw/zinc/88/30/03/342883003.db2.gz XHPSALBROVIGOM-CYBMUJFWSA-N 1 0 233.355 3.188 50 0 BGAARO CC(C)c1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000014631219 167634597 /nfs/dbraw/zinc/63/45/97/167634597.db2.gz XHPSALBROVIGOM-ZDUSSCGKSA-N 1 0 233.355 3.188 50 0 BGAARO Cc1ccc(C(C)C)c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000014631225 384398712 /nfs/dbraw/zinc/39/87/12/384398712.db2.gz VUCMTUYAZRFEFZ-CQSZACIVSA-N 1 0 247.382 3.497 50 0 BGAARO Cc1ccc(C(C)C)c(OC[C@H]2CCC[NH2+]C2)c1 ZINC000014631227 384399031 /nfs/dbraw/zinc/39/90/31/384399031.db2.gz VUCMTUYAZRFEFZ-AWEZNQCLSA-N 1 0 247.382 3.497 50 0 BGAARO CC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631261 384399181 /nfs/dbraw/zinc/39/91/81/384399181.db2.gz PHJDSQWLGAEPAN-CYBMUJFWSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631263 490056166 /nfs/dbraw/zinc/05/61/66/490056166.db2.gz PHJDSQWLGAEPAN-ZDUSSCGKSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631265 342882985 /nfs/dbraw/zinc/88/29/85/342882985.db2.gz LTAIUNXDGUOGIW-CYBMUJFWSA-N 1 0 233.355 3.188 50 0 BGAARO CC(C)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631267 167608873 /nfs/dbraw/zinc/60/88/73/167608873.db2.gz LTAIUNXDGUOGIW-ZDUSSCGKSA-N 1 0 233.355 3.188 50 0 BGAARO c1ccc2c(c1)cccc2OC[C@H]1CCC[NH2+]C1 ZINC000014631292 384399445 /nfs/dbraw/zinc/39/94/45/384399445.db2.gz LWERMZWBMPYHNO-ZDUSSCGKSA-N 1 0 241.334 3.218 50 0 BGAARO c1ccc2c(c1)cccc2OC[C@@H]1CCC[NH2+]C1 ZINC000014631294 384399360 /nfs/dbraw/zinc/39/93/60/384399360.db2.gz LWERMZWBMPYHNO-CYBMUJFWSA-N 1 0 241.334 3.218 50 0 BGAARO c1ccc2cc(OC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000014631295 183457696 /nfs/dbraw/zinc/45/76/96/183457696.db2.gz ZEKZSUIMQDHJKA-ZDUSSCGKSA-N 1 0 241.334 3.218 50 0 BGAARO c1ccc2cc(OC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000014631297 384398487 /nfs/dbraw/zinc/39/84/87/384398487.db2.gz ZEKZSUIMQDHJKA-CYBMUJFWSA-N 1 0 241.334 3.218 50 0 BGAARO Cc1ccc(Cl)c(OCC2CC[NH2+]CC2)c1 ZINC000014631421 342883106 /nfs/dbraw/zinc/88/31/06/342883106.db2.gz MGSJIVMKLZUVBT-UHFFFAOYSA-N 1 0 239.746 3.027 50 0 BGAARO CC(C)c1cccc(OCC2CC[NH2+]CC2)c1 ZINC000014631450 342882978 /nfs/dbraw/zinc/88/29/78/342882978.db2.gz BMUHOMJNFBEPRA-UHFFFAOYSA-N 1 0 233.355 3.188 50 0 BGAARO Cc1ccc(C(C)C)c(OCC2CC[NH2+]CC2)c1 ZINC000014631454 384399128 /nfs/dbraw/zinc/39/91/28/384399128.db2.gz KZGDOAMJBZNHRH-UHFFFAOYSA-N 1 0 247.382 3.497 50 0 BGAARO CC(C)(C)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631472 490056093 /nfs/dbraw/zinc/05/60/93/490056093.db2.gz CJDJMYQNKZTALM-UHFFFAOYSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631474 342883122 /nfs/dbraw/zinc/88/31/22/342883122.db2.gz QVXPWBASWATXCZ-UHFFFAOYSA-N 1 0 233.355 3.188 50 0 BGAARO c1ccc2c(c1)cccc2OCC1CC[NH2+]CC1 ZINC000014631492 384399368 /nfs/dbraw/zinc/39/93/68/384399368.db2.gz DZLIUBRSCXZJIL-UHFFFAOYSA-N 1 0 241.334 3.218 50 0 BGAARO c1ccc2cc(OCC3CC[NH2+]CC3)ccc2c1 ZINC000014631494 384399137 /nfs/dbraw/zinc/39/91/37/384399137.db2.gz MUOXAGUZMVATIC-UHFFFAOYSA-N 1 0 241.334 3.218 50 0 in-vivo BGAARO Clc1cccc(O[C@@H]2CCC[NH2+]C2)c1Cl ZINC000014631624 342883115 /nfs/dbraw/zinc/88/31/15/342883115.db2.gz MZYHMWFKZMEGRK-MRVPVSSYSA-N 1 0 246.137 3.124 50 0 BGAARO Clc1cccc(O[C@H]2CCC[NH2+]C2)c1Cl ZINC000014631626 342883054 /nfs/dbraw/zinc/88/30/54/342883054.db2.gz MZYHMWFKZMEGRK-QMMMGPOBSA-N 1 0 246.137 3.124 50 0 BGAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000014631632 342883121 /nfs/dbraw/zinc/88/31/21/342883121.db2.gz OUOJNSQTASRMSZ-SECBINFHSA-N 1 0 246.137 3.124 50 0 BGAARO Clc1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000014631633 342883196 /nfs/dbraw/zinc/88/31/96/342883196.db2.gz OUOJNSQTASRMSZ-VIFPVBQESA-N 1 0 246.137 3.124 50 0 BGAARO Clc1ccc(Cl)c(O[C@@H]2CCC[NH2+]C2)c1 ZINC000014631635 342883173 /nfs/dbraw/zinc/88/31/73/342883173.db2.gz QMTVYKYQMXJBEC-SECBINFHSA-N 1 0 246.137 3.124 50 0 BGAARO Clc1ccc(Cl)c(O[C@H]2CCC[NH2+]C2)c1 ZINC000014631637 342883257 /nfs/dbraw/zinc/88/32/57/342883257.db2.gz QMTVYKYQMXJBEC-VIFPVBQESA-N 1 0 246.137 3.124 50 0 BGAARO Cc1ccc(C(C)C)cc1O[C@@H]1CCC[NH2+]C1 ZINC000014631654 384399188 /nfs/dbraw/zinc/39/91/88/384399188.db2.gz KCRZBECZIDURNA-CQSZACIVSA-N 1 0 233.355 3.249 50 0 BGAARO Cc1ccc(C(C)C)cc1O[C@H]1CCC[NH2+]C1 ZINC000014631656 384398766 /nfs/dbraw/zinc/39/87/66/384398766.db2.gz KCRZBECZIDURNA-AWEZNQCLSA-N 1 0 233.355 3.249 50 0 BGAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000014631684 342883153 /nfs/dbraw/zinc/88/31/53/342883153.db2.gz AAUULHFULVCBOO-SECBINFHSA-N 1 0 246.137 3.124 50 0 BGAARO Clc1ccc(O[C@H]2CCC[NH2+]C2)cc1Cl ZINC000014631686 342883209 /nfs/dbraw/zinc/88/32/09/342883209.db2.gz AAUULHFULVCBOO-VIFPVBQESA-N 1 0 246.137 3.124 50 0 BGAARO Cc1cc(O[C@@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC000014631722 178213331 /nfs/dbraw/zinc/21/33/31/178213331.db2.gz ITCVUIUSGLMPCG-LLVKDONJSA-N 1 0 239.746 3.088 50 0 BGAARO Cc1cc(O[C@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC000014631724 178214304 /nfs/dbraw/zinc/21/43/04/178214304.db2.gz ITCVUIUSGLMPCG-NSHDSACASA-N 1 0 239.746 3.088 50 0 BGAARO CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631751 541310390 /nfs/dbraw/zinc/31/03/90/541310390.db2.gz IZVDRBMTVZTQFI-CQSZACIVSA-N 1 0 233.355 3.115 50 0 BGAARO CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631753 188105886 /nfs/dbraw/zinc/10/58/86/188105886.db2.gz IZVDRBMTVZTQFI-AWEZNQCLSA-N 1 0 233.355 3.115 50 0 BGAARO CC[C@@H](C)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631759 384399152 /nfs/dbraw/zinc/39/91/52/384399152.db2.gz RLGZCROKIXTFHP-IUODEOHRSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@H](C)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631761 171410426 /nfs/dbraw/zinc/41/04/26/171410426.db2.gz RLGZCROKIXTFHP-SWLSCSKDSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@@H](C)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631762 384399175 /nfs/dbraw/zinc/39/91/75/384399175.db2.gz RLGZCROKIXTFHP-DOMZBBRYSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@H](C)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631764 171410431 /nfs/dbraw/zinc/41/04/31/171410431.db2.gz RLGZCROKIXTFHP-WFASDCNBSA-N 1 0 233.355 3.331 50 0 BGAARO CC(C)(C)c1ccc(COC2CC[NH2+]CC2)cc1 ZINC000014631889 384399253 /nfs/dbraw/zinc/39/92/53/384399253.db2.gz PXCNFNUFHIWTKW-UHFFFAOYSA-N 1 0 247.382 3.253 50 0 BGAARO Clc1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000014631897 342883169 /nfs/dbraw/zinc/88/31/69/342883169.db2.gz XINVQNFMLVRDTP-UHFFFAOYSA-N 1 0 246.137 3.124 50 0 BGAARO Clc1ccc(Cl)c(OC2CC[NH2+]CC2)c1 ZINC000014631899 342883164 /nfs/dbraw/zinc/88/31/64/342883164.db2.gz NNKFUNWCEKSGND-UHFFFAOYSA-N 1 0 246.137 3.124 50 0 BGAARO Cc1ccc(C(C)C)c(OC2CC[NH2+]CC2)c1 ZINC000014631919 178452448 /nfs/dbraw/zinc/45/24/48/178452448.db2.gz ZRVLJPJLLGDYAQ-UHFFFAOYSA-N 1 0 233.355 3.249 50 0 BGAARO Cc1cc(OC2CC[NH2+]CC2)cc(C)c1Cl ZINC000014631923 178208251 /nfs/dbraw/zinc/20/82/51/178208251.db2.gz DLUQDHMNDYCHFE-UHFFFAOYSA-N 1 0 239.746 3.088 50 0 BGAARO CC(C)(C)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014631935 384399222 /nfs/dbraw/zinc/39/92/22/384399222.db2.gz PBYOIVYRHPJEEP-UHFFFAOYSA-N 1 0 233.355 3.115 50 0 BGAARO CC[C@@H](C)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014631939 384399488 /nfs/dbraw/zinc/39/94/88/384399488.db2.gz ZWLIEKUIIWUPMP-GFCCVEGCSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@H](C)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014631941 384398421 /nfs/dbraw/zinc/39/84/21/384398421.db2.gz ZWLIEKUIIWUPMP-LBPRGKRZSA-N 1 0 233.355 3.331 50 0 BGAARO c1ccc(-c2ccccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632118 183381008 /nfs/dbraw/zinc/38/10/08/183381008.db2.gz QXCVBDLBZWKDID-CQSZACIVSA-N 1 0 239.318 3.094 50 0 BGAARO c1ccc(-c2ccccc2O[C@H]2CC[NH2+]C2)cc1 ZINC000014632120 183380779 /nfs/dbraw/zinc/38/07/79/183380779.db2.gz QXCVBDLBZWKDID-AWEZNQCLSA-N 1 0 239.318 3.094 50 0 BGAARO c1ccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632231 183380039 /nfs/dbraw/zinc/38/00/39/183380039.db2.gz GCTKSXPCNSEZFW-MRXNPFEDSA-N 1 0 239.318 3.094 50 0 BGAARO c1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632232 183379851 /nfs/dbraw/zinc/37/98/51/183379851.db2.gz GCTKSXPCNSEZFW-INIZCTEOSA-N 1 0 239.318 3.094 50 0 BGAARO Clc1ccc(O[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000014632263 342883204 /nfs/dbraw/zinc/88/32/04/342883204.db2.gz ZLJALOLCXDZSFU-SNVBAGLBSA-N 1 0 247.725 3.234 50 0 BGAARO Clc1ccc(O[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000014632264 342883266 /nfs/dbraw/zinc/88/32/66/342883266.db2.gz ZLJALOLCXDZSFU-JTQLQIEISA-N 1 0 247.725 3.234 50 0 BGAARO c1ccc(CCCOCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000014632311 183391673 /nfs/dbraw/zinc/39/16/73/183391673.db2.gz WDSCVIGTVZUZNK-INIZCTEOSA-N 1 0 247.382 3.168 50 0 BGAARO c1ccc(CCCOCC[C@H]2CCCC[NH2+]2)cc1 ZINC000014632312 183391913 /nfs/dbraw/zinc/39/19/13/183391913.db2.gz WDSCVIGTVZUZNK-MRXNPFEDSA-N 1 0 247.382 3.168 50 0 BGAARO c1cc(OCC[C@@H]2CCCC[NH2+]2)cc2c1CCC2 ZINC000014632339 183370180 /nfs/dbraw/zinc/37/01/80/183370180.db2.gz PKTOAGJPMNHLDH-HNNXBMFYSA-N 1 0 245.366 3.086 50 0 BGAARO c1cc(OCC[C@H]2CCCC[NH2+]2)cc2c1CCC2 ZINC000014632340 183370408 /nfs/dbraw/zinc/37/04/08/183370408.db2.gz PKTOAGJPMNHLDH-OAHLLOKOSA-N 1 0 245.366 3.086 50 0 BGAARO c1ccc(CCCOCC[C@H]2CCC[NH2+]C2)cc1 ZINC000014632347 183391634 /nfs/dbraw/zinc/39/16/34/183391634.db2.gz WZOAIYWCBDAIEB-MRXNPFEDSA-N 1 0 247.382 3.026 50 0 BGAARO c1ccc(CCCOCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014632348 183391149 /nfs/dbraw/zinc/39/11/49/183391149.db2.gz WZOAIYWCBDAIEB-INIZCTEOSA-N 1 0 247.382 3.026 50 0 BGAARO c1ccc(CCCOCCC2CC[NH2+]CC2)cc1 ZINC000014632382 183391163 /nfs/dbraw/zinc/39/11/63/183391163.db2.gz LSAORFPJNKAXIO-UHFFFAOYSA-N 1 0 247.382 3.026 50 0 BGAARO c1ccc2cc(OC[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000014632445 384399375 /nfs/dbraw/zinc/39/93/75/384399375.db2.gz PEEWGYRFMHANGE-HNNXBMFYSA-N 1 0 241.334 3.361 50 0 BGAARO c1ccc2cc(OC[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000014632446 183457708 /nfs/dbraw/zinc/45/77/08/183457708.db2.gz PEEWGYRFMHANGE-OAHLLOKOSA-N 1 0 241.334 3.361 50 0 BGAARO C[NH2+]Cc1c(F)cccc1Oc1ccc(F)cc1 ZINC000014807372 173384898 /nfs/dbraw/zinc/38/48/98/173384898.db2.gz OHHBLCLTENUGGT-UHFFFAOYSA-N 1 0 249.260 3.477 50 0 BGAARO FC(F)(F)c1ccc([C@H]2C[NH2+]CCS2)cc1 ZINC000014808055 384407684 /nfs/dbraw/zinc/40/76/84/384407684.db2.gz ZTAJHAOFIGRZJZ-SNVBAGLBSA-N 1 0 247.285 3.083 50 0 BGAARO FC(F)(F)c1ccc([C@H]2CSCC[NH2+]2)cc1 ZINC000014808061 180893934 /nfs/dbraw/zinc/89/39/34/180893934.db2.gz MPLQHRJLTSFLIN-SNVBAGLBSA-N 1 0 247.285 3.083 50 0 BGAARO CCC[NH2+][C@H]1CCc2c(OC)cccc2[C@@H]1C ZINC000014953328 169292274 /nfs/dbraw/zinc/29/22/74/169292274.db2.gz YGHLYBIUVOLKCV-FZMZJTMJSA-N 1 0 233.355 3.113 50 0 in-vitro BGAARO CCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@H]1C ZINC000014953333 169282859 /nfs/dbraw/zinc/28/28/59/169282859.db2.gz YGHLYBIUVOLKCV-BXUZGUMPSA-N 1 0 233.355 3.113 50 0 in-vitro BGAARO [NH3+]C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014961151 384413004 /nfs/dbraw/zinc/41/30/04/384413004.db2.gz PNKKPFLBOWGVSF-AWEZNQCLSA-N 1 0 231.726 3.431 50 0 BGAARO C[NH2+]C[C@@H]1O[C@@H]2CCCC[C@@H]2c2sccc21 ZINC000014987507 173372726 /nfs/dbraw/zinc/37/27/26/173372726.db2.gz SSQGFXDMCNKSBL-WCQGTBRESA-N 1 0 237.368 3.065 50 0 BGAARO CC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000014987521 384412416 /nfs/dbraw/zinc/41/24/16/384412416.db2.gz QDTICOAVVMENTI-VIFPVBQESA-N 1 0 204.100 3.403 50 0 BGAARO c1coc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000014987989 384415891 /nfs/dbraw/zinc/41/58/91/384415891.db2.gz PECGYDAPOGQCMU-UHFFFAOYSA-N 1 0 226.279 3.051 50 0 BGAARO [NH3+]C[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000014988548 384414142 /nfs/dbraw/zinc/41/41/42/384414142.db2.gz UMKZRYDOOBGQAK-QMMMGPOBSA-N 1 0 234.730 3.200 50 0 BGAARO [NH3+]C[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000014988550 384415957 /nfs/dbraw/zinc/41/59/57/384415957.db2.gz UMKZRYDOOBGQAK-MRVPVSSYSA-N 1 0 234.730 3.200 50 0 BGAARO Cc1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000015020682 384415750 /nfs/dbraw/zinc/41/57/50/384415750.db2.gz ZYFLABCDJVBRMZ-HNNXBMFYSA-N 1 0 211.308 3.086 50 0 BGAARO Clc1ccc(SC2CC[NH2+]CC2)cc1 ZINC000015020721 342890687 /nfs/dbraw/zinc/89/06/87/342890687.db2.gz DORGHGOWHFHJPG-UHFFFAOYSA-N 1 0 227.760 3.184 50 0 BGAARO Clc1ccc(S[C@@H]2CCC[NH2+]C2)cc1 ZINC000015020944 342890621 /nfs/dbraw/zinc/89/06/21/342890621.db2.gz QMPCXJUTUMFBQB-LLVKDONJSA-N 1 0 227.760 3.184 50 0 BGAARO [NH3+]Cc1ccc(Br)c2ccccc12 ZINC000015042976 384418607 /nfs/dbraw/zinc/41/86/07/384418607.db2.gz PMFKFFYEQAYJDO-UHFFFAOYSA-N 1 0 236.112 3.061 50 0 BGAARO c1coc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000015424188 342896047 /nfs/dbraw/zinc/89/60/47/342896047.db2.gz FZUBLHQIJLZUJH-UHFFFAOYSA-N 1 0 226.279 3.051 50 0 BGAARO Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000015961550 342903895 /nfs/dbraw/zinc/90/38/95/342903895.db2.gz BGKLDGPQFIVCGV-UHFFFAOYSA-N 1 0 215.300 3.193 50 0 BGAARO CC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000016082635 384449702 /nfs/dbraw/zinc/44/97/02/384449702.db2.gz GGMBEWCATHOITK-SECBINFHSA-N 1 0 203.207 3.115 50 0 BGAARO [NH3+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000016082948 342905872 /nfs/dbraw/zinc/90/58/72/342905872.db2.gz LAYKXXDKBWCIFM-ZDUSSCGKSA-N 1 0 217.699 3.388 50 0 BGAARO [NH3+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000016082949 342906044 /nfs/dbraw/zinc/90/60/44/342906044.db2.gz LAYKXXDKBWCIFM-CYBMUJFWSA-N 1 0 217.699 3.388 50 0 BGAARO Cc1cc(N)c2cccc(C(F)(F)F)c2[nH+]1 ZINC000016159453 178104512 /nfs/dbraw/zinc/10/45/12/178104512.db2.gz WNPVMBJLPPHGEJ-UHFFFAOYSA-N 1 0 226.201 3.144 50 0 BGAARO Cc1cc(N)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000016159455 178103427 /nfs/dbraw/zinc/10/34/27/178103427.db2.gz XOCNDKPCAIPSRG-UHFFFAOYSA-N 1 0 226.201 3.144 50 0 BGAARO C[NH2+]CCCOc1ccc(C)cc1C(C)(C)C ZINC000016293860 173349499 /nfs/dbraw/zinc/34/94/99/173349499.db2.gz FGZXXUJSNVMGPK-UHFFFAOYSA-N 1 0 235.371 3.281 50 0 BGAARO C[NH2+]CCCOc1ccc(-c2ccccc2)cc1 ZINC000016294187 173349545 /nfs/dbraw/zinc/34/95/45/173349545.db2.gz OBOGDIOGBCTGMV-UHFFFAOYSA-N 1 0 241.334 3.342 50 0 BGAARO Cc1ccccc1C[NH2+]CCc1ccc(F)cc1 ZINC000016362707 179281351 /nfs/dbraw/zinc/28/13/51/179281351.db2.gz VAQBVCZRTZYAKM-UHFFFAOYSA-N 1 0 243.325 3.466 50 0 BGAARO Cc1ccccc1C[NH2+]CCc1ccccc1 ZINC000016362710 179281001 /nfs/dbraw/zinc/28/10/01/179281001.db2.gz BCHLSQHLMJWDMH-UHFFFAOYSA-N 1 0 225.335 3.327 50 0 BGAARO Cc1ccccc1C[NH2+]CCc1ccccc1F ZINC000016362712 179281667 /nfs/dbraw/zinc/28/16/67/179281667.db2.gz CMFWRLGHVVZSSE-UHFFFAOYSA-N 1 0 243.325 3.466 50 0 BGAARO Clc1cccc(Cl)c1C[NH2+]C1CC1 ZINC000016383690 342910291 /nfs/dbraw/zinc/91/02/91/342910291.db2.gz PLCNQJSZKJXSMQ-UHFFFAOYSA-N 1 0 216.111 3.245 50 0 BGAARO Clc1ccc(C[NH2+]C2CC2)cc1Cl ZINC000016384732 342910496 /nfs/dbraw/zinc/91/04/96/342910496.db2.gz ARVDJBARMJFVNT-UHFFFAOYSA-N 1 0 216.111 3.245 50 0 BGAARO Clc1ccc(C[NH2+]C2CC2)c(Cl)c1 ZINC000016384950 342910334 /nfs/dbraw/zinc/91/03/34/342910334.db2.gz ISNLISSGALOLGC-UHFFFAOYSA-N 1 0 216.111 3.245 50 0 BGAARO Clc1cccc(C[NH2+]C2CCCC2)c1 ZINC000016398831 342910272 /nfs/dbraw/zinc/91/02/72/342910272.db2.gz ZYNROCONMDRFNE-UHFFFAOYSA-N 1 0 209.720 3.372 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2cccs2)cc1 ZINC000016430620 342910731 /nfs/dbraw/zinc/91/07/31/342910731.db2.gz XMTWIMQRCQNBMZ-UHFFFAOYSA-N 1 0 235.327 3.220 50 0 BGAARO Fc1ccccc1CC[NH2+]Cc1ccccc1F ZINC000016449558 181011884 /nfs/dbraw/zinc/01/18/84/181011884.db2.gz JSAUMQIKFZYWHY-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2ccccc2F)cc1 ZINC000016449688 342911056 /nfs/dbraw/zinc/91/10/56/342911056.db2.gz LDJTUVAATVKZCI-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO Fc1ccccc1C[NH2+]CCc1ccccc1 ZINC000016479390 181012409 /nfs/dbraw/zinc/01/24/09/181012409.db2.gz YIAJGCAXNZZKOF-UHFFFAOYSA-N 1 0 229.298 3.158 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000016480062 342911291 /nfs/dbraw/zinc/91/12/91/342911291.db2.gz CGCXPWUESCUNNA-UHFFFAOYSA-N 1 0 229.298 3.158 50 0 BGAARO CC[NH2+]C/C=C/COc1ccccc1C(C)C ZINC000016623064 170108147 /nfs/dbraw/zinc/10/81/47/170108147.db2.gz ZGOPKGSGAVJUFG-BQYQJAHWSA-N 1 0 233.355 3.355 50 0 BGAARO CC[NH2+]C/C=C/COc1ccc(C(C)C)cc1 ZINC000016623516 170108229 /nfs/dbraw/zinc/10/82/29/170108229.db2.gz MJXLHZCAXHJCCD-AATRIKPKSA-N 1 0 233.355 3.355 50 0 BGAARO C[C@H](CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000016662937 177254018 /nfs/dbraw/zinc/25/40/18/177254018.db2.gz PMGQZHMNKYVKJY-KFWWJZLASA-N 1 0 247.382 3.289 50 0 BGAARO C[C@@H](CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000016662938 177254341 /nfs/dbraw/zinc/25/43/41/177254341.db2.gz PMGQZHMNKYVKJY-SOUVJXGZSA-N 1 0 247.382 3.289 50 0 BGAARO C/C(=C\c1ccccc1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016662947 384464392 /nfs/dbraw/zinc/46/43/92/384464392.db2.gz BZZRQIOENOHKAS-SKLCMXRPSA-N 1 0 245.366 3.199 50 0 BGAARO COc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000016662999 175324992 /nfs/dbraw/zinc/32/49/92/175324992.db2.gz NWGWFTYSPJEUEO-UHFFFAOYSA-N 1 0 233.355 3.460 50 0 BGAARO Cc1ccc(OCC[NH+]2CCCCC2)cc1C ZINC000016667069 188170578 /nfs/dbraw/zinc/17/05/78/188170578.db2.gz UJGKQLJNICXCPY-UHFFFAOYSA-N 1 0 233.355 3.168 50 0 BGAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccncc1 ZINC000016667367 384464886 /nfs/dbraw/zinc/46/48/86/384464886.db2.gz GSPCKMUOZSNPJL-MRXNPFEDSA-N 1 0 238.334 3.249 50 0 BGAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000016667368 384464368 /nfs/dbraw/zinc/46/43/68/384464368.db2.gz GSPCKMUOZSNPJL-INIZCTEOSA-N 1 0 238.334 3.249 50 0 BGAARO CCCC[NH2+]CCCOc1ccc(C)c(C)c1 ZINC000016671145 642983047 /nfs/dbraw/zinc/98/30/47/642983047.db2.gz HMIKGRZGPUBLJE-UHFFFAOYSA-N 1 0 235.371 3.462 50 0 BGAARO CCCC[NH2+]CCOc1cc(C)ccc1Cl ZINC000016677494 384464841 /nfs/dbraw/zinc/46/48/41/384464841.db2.gz LOFWALGKWCOGCA-UHFFFAOYSA-N 1 0 241.762 3.417 50 0 BGAARO Cc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)o1 ZINC000016806726 178855491 /nfs/dbraw/zinc/85/54/91/178855491.db2.gz WWCXHACKCXBIQX-LBPRGKRZSA-N 1 0 240.306 3.160 50 0 BGAARO Cc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)o1 ZINC000016806728 178903224 /nfs/dbraw/zinc/90/32/24/178903224.db2.gz WWCXHACKCXBIQX-GFCCVEGCSA-N 1 0 240.306 3.160 50 0 BGAARO [NH3+]CCSCc1cccc2ccccc21 ZINC000016844473 181401527 /nfs/dbraw/zinc/40/15/27/181401527.db2.gz YSIYYYWNPCHYKN-UHFFFAOYSA-N 1 0 217.337 3.032 50 0 BGAARO CCCC[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000016956302 187416619 /nfs/dbraw/zinc/41/66/19/187416619.db2.gz LUWAQBBKMMOUPS-UHFFFAOYSA-N 1 0 241.358 3.189 50 0 BGAARO Clc1cccc(C[NH+]2CCCCC2)c1 ZINC000016958041 342917948 /nfs/dbraw/zinc/91/79/48/342917948.db2.gz ZJHDYWVHJAYYGU-UHFFFAOYSA-N 1 0 209.720 3.326 50 0 BGAARO CCCc1[nH+]c2ccccc2c(N)c1CC ZINC000018136689 342932241 /nfs/dbraw/zinc/93/22/41/342932241.db2.gz DCJLNFMNBVYQFR-UHFFFAOYSA-N 1 0 214.312 3.332 50 0 BGAARO [NH2+]=C(Nc1ccccc1)Nc1ccccc1 ZINC000018208503 181200005 /nfs/dbraw/zinc/20/00/05/181200005.db2.gz OWRCNXZUPFZXOS-UHFFFAOYSA-N 1 0 211.268 3.145 50 0 in-vitro BGAARO Cc1cc(C)cc(C2(C[NH3+])CCCC2)c1 ZINC000019092602 177896042 /nfs/dbraw/zinc/89/60/42/177896042.db2.gz TYQXXAYOCSKPQM-UHFFFAOYSA-N 1 0 203.329 3.074 50 0 BGAARO Cc1cccc([C@@H]([NH3+])c2cccs2)c1 ZINC000019093199 179186900 /nfs/dbraw/zinc/18/69/00/179186900.db2.gz PKJLLSNXRMTERV-GFCCVEGCSA-N 1 0 203.310 3.105 50 0 BGAARO Cc1cccc([C@H]([NH3+])c2cccs2)c1 ZINC000019093201 179200031 /nfs/dbraw/zinc/20/00/31/179200031.db2.gz PKJLLSNXRMTERV-LBPRGKRZSA-N 1 0 203.310 3.105 50 0 BGAARO Cc1ccccc1[C@@H]([NH3+])c1cccs1 ZINC000019093245 179325355 /nfs/dbraw/zinc/32/53/55/179325355.db2.gz MRSYDWJTJQECBU-GFCCVEGCSA-N 1 0 203.310 3.105 50 0 BGAARO Cc1ccccc1[C@H]([NH3+])c1cccs1 ZINC000019093247 179344200 /nfs/dbraw/zinc/34/42/00/179344200.db2.gz MRSYDWJTJQECBU-LBPRGKRZSA-N 1 0 203.310 3.105 50 0 BGAARO Nc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000019093724 188107003 /nfs/dbraw/zinc/10/70/03/188107003.db2.gz URUHKHGBRNTPGA-UHFFFAOYSA-N 1 0 220.275 3.484 50 0 BGAARO Cc1cc(C=O)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000019094104 342941605 /nfs/dbraw/zinc/94/16/05/342941605.db2.gz BYZKCGFGBVMXQN-GFCCVEGCSA-N 1 0 245.366 3.348 50 0 BGAARO Cc1cc(C=O)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000019094106 342941697 /nfs/dbraw/zinc/94/16/97/342941697.db2.gz BYZKCGFGBVMXQN-LBPRGKRZSA-N 1 0 245.366 3.348 50 0 BGAARO Cc1cc(C=O)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000019094153 342941600 /nfs/dbraw/zinc/94/16/00/342941600.db2.gz HLTWMUVQSBLTAF-UHFFFAOYSA-N 1 0 245.366 3.348 50 0 BGAARO Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1C=O ZINC000019094330 384509947 /nfs/dbraw/zinc/50/99/47/384509947.db2.gz TYJDZQJYPSMFSQ-UHFFFAOYSA-N 1 0 245.366 3.348 50 0 BGAARO Cc1cc(C=O)c(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000019094338 342941621 /nfs/dbraw/zinc/94/16/21/342941621.db2.gz GIJVMIAPQDLJQR-CYBMUJFWSA-N 1 0 245.366 3.490 50 0 BGAARO Cc1cc(C=O)c(C)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000019094340 342941649 /nfs/dbraw/zinc/94/16/49/342941649.db2.gz GIJVMIAPQDLJQR-ZDUSSCGKSA-N 1 0 245.366 3.490 50 0 BGAARO CCCN(CCC)CC[NH+](CCC)CCC ZINC000019228416 169147443 /nfs/dbraw/zinc/14/74/43/169147443.db2.gz HVBXZPOGJMBMLN-UHFFFAOYSA-N 1 0 228.424 3.230 50 0 BGAARO c1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000019230144 183393065 /nfs/dbraw/zinc/39/30/65/183393065.db2.gz UPABQMWFWCMOFV-UHFFFAOYSA-N 1 0 211.308 3.019 50 0 in-vitro BGAARO [NH3+]CCCn1c2ccccc2c2ccccc21 ZINC000019264224 181389173 /nfs/dbraw/zinc/38/91/73/181389173.db2.gz BVWVHDAZJIEDID-UHFFFAOYSA-N 1 0 224.307 3.143 50 0 BGAARO CCCCCOc1ccc([C@@H](C)[NH3+])cc1OC ZINC000019265395 342945062 /nfs/dbraw/zinc/94/50/62/342945062.db2.gz CFPBLCKRJQHYRM-LLVKDONJSA-N 1 0 237.343 3.284 50 0 BGAARO CCCCCOc1ccc([C@H](C)[NH3+])cc1OC ZINC000019265398 342945083 /nfs/dbraw/zinc/94/50/83/342945083.db2.gz CFPBLCKRJQHYRM-NSHDSACASA-N 1 0 237.343 3.284 50 0 BGAARO c1ccc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000019265608 183436647 /nfs/dbraw/zinc/43/66/47/183436647.db2.gz FTUQXJHPJLCOIY-MJVIPROJSA-N 1 0 241.338 3.156 50 0 BGAARO c1ccc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)nc2c1 ZINC000019265610 384513719 /nfs/dbraw/zinc/51/37/19/384513719.db2.gz FTUQXJHPJLCOIY-WDMOLILDSA-N 1 0 241.338 3.156 50 0 BGAARO CC(C)[NH2+]Cc1cc(Br)ccc1F ZINC000019278018 167116514 /nfs/dbraw/zinc/11/65/14/167116514.db2.gz IXXUYKRGUZVACR-UHFFFAOYSA-N 1 0 246.123 3.086 50 0 BGAARO CC(C)=CCC[C@H](C)CC1N2CC[N@@H+]1CCC2 ZINC000019323057 388737959 /nfs/dbraw/zinc/73/79/59/388737959.db2.gz SBBFMEILEONGTE-AWEZNQCLSA-N 1 0 236.403 3.106 50 0 BGAARO CC(C)=CCC[C@@H](C)CC1N2CC[N@@H+]1CCC2 ZINC000019323059 187314048 /nfs/dbraw/zinc/31/40/48/187314048.db2.gz SBBFMEILEONGTE-CQSZACIVSA-N 1 0 236.403 3.106 50 0 BGAARO Cc1ccc2c(cccc2-c2cccc(N)n2)n1 ZINC000019336414 371131444 /nfs/dbraw/zinc/13/14/44/371131444.db2.gz GPIIREMOIWVETL-UHFFFAOYSA-N 1 0 235.290 3.187 50 0 BGAARO c1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019370035 384519703 /nfs/dbraw/zinc/51/97/03/384519703.db2.gz INERHEQVAVQJBO-MRXNPFEDSA-N 1 0 248.329 3.403 50 0 in-vitro BGAARO c1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019370037 387133009 /nfs/dbraw/zinc/13/30/09/387133009.db2.gz INERHEQVAVQJBO-INIZCTEOSA-N 1 0 248.329 3.403 50 0 in-vitro BGAARO Fc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000019371399 342947196 /nfs/dbraw/zinc/94/71/96/342947196.db2.gz WXGMUZSBRWOLGV-UHFFFAOYSA-N 1 0 229.298 3.158 50 0 BGAARO c1csc(C[NH2+]CCc2ccccc2)c1 ZINC000019371404 183393956 /nfs/dbraw/zinc/39/39/56/183393956.db2.gz ITKLGDWBZFUNNV-UHFFFAOYSA-N 1 0 217.337 3.080 50 0 BGAARO c1coc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000019376027 183510179 /nfs/dbraw/zinc/51/01/79/183510179.db2.gz FELGUJHGLNZYPV-UHFFFAOYSA-N 1 0 240.306 3.093 50 0 BGAARO CC(C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019391454 167118204 /nfs/dbraw/zinc/11/82/04/167118204.db2.gz HOESTKVFEBWRGU-UHFFFAOYSA-N 1 0 246.123 3.086 50 0 BGAARO CC(C)(C)[NH2+]Cc1ccc(Br)s1 ZINC000019407362 166636289 /nfs/dbraw/zinc/63/62/89/166636289.db2.gz DTUBCVBWRCVRMH-UHFFFAOYSA-N 1 0 248.189 3.399 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1cc2ccccc2o1 ZINC000019407751 384519203 /nfs/dbraw/zinc/51/92/03/384519203.db2.gz VOGQGWJKDLAPKW-SECBINFHSA-N 1 0 201.269 3.246 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1cc2ccccc2o1 ZINC000019407753 384518020 /nfs/dbraw/zinc/51/80/20/384518020.db2.gz VOGQGWJKDLAPKW-VIFPVBQESA-N 1 0 201.269 3.246 50 0 BGAARO CCc1ccc([C@@H]([NH3+])c2ccccc2)cc1 ZINC000019414514 387133785 /nfs/dbraw/zinc/13/37/85/387133785.db2.gz SQLIVWVICKHBDO-HNNXBMFYSA-N 1 0 211.308 3.297 50 0 BGAARO CCc1ccc([C@H]([NH3+])c2ccccc2)cc1 ZINC000019414516 387132905 /nfs/dbraw/zinc/13/29/05/387132905.db2.gz SQLIVWVICKHBDO-OAHLLOKOSA-N 1 0 211.308 3.297 50 0 BGAARO COc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019414940 175180243 /nfs/dbraw/zinc/18/02/43/175180243.db2.gz IWQAYKYHXYULQM-CQSZACIVSA-N 1 0 247.725 3.397 50 0 BGAARO COc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019414942 175192558 /nfs/dbraw/zinc/19/25/58/175192558.db2.gz IWQAYKYHXYULQM-AWEZNQCLSA-N 1 0 247.725 3.397 50 0 BGAARO CC(C)Cc1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000019421271 342948138 /nfs/dbraw/zinc/94/81/38/342948138.db2.gz IIHGWCLNSSKUHG-UHFFFAOYSA-N 1 0 245.366 3.067 50 0 BGAARO [NH3+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000019421488 181323880 /nfs/dbraw/zinc/32/38/80/181323880.db2.gz WRKGTUUHIURRMW-UHFFFAOYSA-N 1 0 219.234 3.013 50 0 in-vitro BGAARO CCC[NH2+]Cc1cc(Br)ccc1F ZINC000019422239 169265548 /nfs/dbraw/zinc/26/55/48/169265548.db2.gz WFBLDEADLRETSL-UHFFFAOYSA-N 1 0 246.123 3.088 50 0 BGAARO CC(C)(C)c1ccccc1OC1CC[NH2+]CC1 ZINC000019423837 188280804 /nfs/dbraw/zinc/28/08/04/188280804.db2.gz JRVLGEHIWSKAQM-UHFFFAOYSA-N 1 0 233.355 3.115 50 0 BGAARO C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019430719 384523473 /nfs/dbraw/zinc/52/34/73/384523473.db2.gz BNLJAPCCTSVFIC-LURJTMIESA-N 1 0 204.100 3.274 50 0 BGAARO C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019430721 384522281 /nfs/dbraw/zinc/52/22/81/384522281.db2.gz BNLJAPCCTSVFIC-ZCFIWIBFSA-N 1 0 204.100 3.274 50 0 BGAARO CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019434665 170141720 /nfs/dbraw/zinc/14/17/20/170141720.db2.gz JBYKWNBHTCFIEP-QMMMGPOBSA-N 1 0 217.234 3.376 50 0 BGAARO CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019434667 170159569 /nfs/dbraw/zinc/15/95/69/170159569.db2.gz JBYKWNBHTCFIEP-MRVPVSSYSA-N 1 0 217.234 3.376 50 0 BGAARO CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019435150 169267316 /nfs/dbraw/zinc/26/73/16/169267316.db2.gz FRPWUFBMIGBHDB-UHFFFAOYSA-N 1 0 246.123 3.088 50 0 BGAARO CC(C)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000019437196 342948596 /nfs/dbraw/zinc/94/85/96/342948596.db2.gz SDIMDXGSTWWBFR-CYBMUJFWSA-N 1 0 233.355 3.188 50 0 BGAARO CC(C)c1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000019437198 342948629 /nfs/dbraw/zinc/94/86/29/342948629.db2.gz SDIMDXGSTWWBFR-ZDUSSCGKSA-N 1 0 233.355 3.188 50 0 BGAARO CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000019471653 170107176 /nfs/dbraw/zinc/10/71/76/170107176.db2.gz GGCBOSHPPYQRIM-UHFFFAOYSA-N 1 0 211.308 3.386 50 0 BGAARO CC[C@@H](C)c1ccccc1OC1CC[NH2+]CC1 ZINC000019485197 384525954 /nfs/dbraw/zinc/52/59/54/384525954.db2.gz QCBCXGROSRCLJN-GFCCVEGCSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@H](C)c1ccccc1OC1CC[NH2+]CC1 ZINC000019485198 384524496 /nfs/dbraw/zinc/52/44/96/384524496.db2.gz QCBCXGROSRCLJN-LBPRGKRZSA-N 1 0 233.355 3.331 50 0 BGAARO [NH3+]CCSCc1ccc(Cl)cc1Cl ZINC000019504461 181401945 /nfs/dbraw/zinc/40/19/45/181401945.db2.gz LOKDUTUBQFHUBY-UHFFFAOYSA-N 1 0 236.167 3.185 50 0 BGAARO CCC[NH2+]Cc1ccc(Br)s1 ZINC000019505770 169266383 /nfs/dbraw/zinc/26/63/83/169266383.db2.gz CSKVKIYCLAAXAU-UHFFFAOYSA-N 1 0 234.162 3.010 50 0 BGAARO CC(C)(C)[NH2+]Cc1ccccc1Br ZINC000019508030 342949902 /nfs/dbraw/zinc/94/99/02/342949902.db2.gz MPQADHAGNPRINL-UHFFFAOYSA-N 1 0 242.160 3.337 50 0 BGAARO CCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000019511150 169276540 /nfs/dbraw/zinc/27/65/40/169276540.db2.gz WWNFOWFERHOLGL-NSHDSACASA-N 1 0 207.317 3.146 50 0 BGAARO CCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000019511152 169287491 /nfs/dbraw/zinc/28/74/91/169287491.db2.gz WWNFOWFERHOLGL-LLVKDONJSA-N 1 0 207.317 3.146 50 0 BGAARO CCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019511537 169278176 /nfs/dbraw/zinc/27/81/76/169278176.db2.gz XSDUMKFPNYJHIK-ZDUSSCGKSA-N 1 0 207.317 3.146 50 0 BGAARO CCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019511539 169287975 /nfs/dbraw/zinc/28/79/75/169287975.db2.gz XSDUMKFPNYJHIK-CYBMUJFWSA-N 1 0 207.317 3.146 50 0 BGAARO CC(C)c1ccccc1OCC1CC[NH2+]CC1 ZINC000019511605 342950673 /nfs/dbraw/zinc/95/06/73/342950673.db2.gz HYMUFRIECMZHRN-UHFFFAOYSA-N 1 0 233.355 3.188 50 0 BGAARO CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019514320 384528228 /nfs/dbraw/zinc/52/82/28/384528228.db2.gz UPHJRLHEZZPSOY-JTQLQIEISA-N 1 0 203.285 3.493 50 0 BGAARO CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019514322 169286711 /nfs/dbraw/zinc/28/67/11/169286711.db2.gz UPHJRLHEZZPSOY-SNVBAGLBSA-N 1 0 203.285 3.493 50 0 BGAARO CCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019517345 169276243 /nfs/dbraw/zinc/27/62/43/169276243.db2.gz HHOGLLSTOFCHFT-NSHDSACASA-N 1 0 207.317 3.064 50 0 BGAARO CCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019517347 169287386 /nfs/dbraw/zinc/28/73/86/169287386.db2.gz HHOGLLSTOFCHFT-LLVKDONJSA-N 1 0 207.317 3.064 50 0 BGAARO CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000019518660 169268296 /nfs/dbraw/zinc/26/82/96/169268296.db2.gz BQNZPSHMKLUEDJ-UHFFFAOYSA-N 1 0 217.234 3.205 50 0 BGAARO CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000019519318 170108256 /nfs/dbraw/zinc/10/82/56/170108256.db2.gz DURIHJOAKMTYTI-UHFFFAOYSA-N 1 0 203.329 3.322 50 0 BGAARO C[C@@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000019534948 342951357 /nfs/dbraw/zinc/95/13/57/342951357.db2.gz XWWSVBIGONHVQI-LBPRGKRZSA-N 1 0 215.296 3.000 50 0 BGAARO C[C@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000019534950 342951508 /nfs/dbraw/zinc/95/15/08/342951508.db2.gz XWWSVBIGONHVQI-GFCCVEGCSA-N 1 0 215.296 3.000 50 0 BGAARO CCCOc1ccc(C[NH+]2CCCC2)cc1OC ZINC000019535248 169318532 /nfs/dbraw/zinc/31/85/32/169318532.db2.gz AKTKWKNYQGFWGJ-UHFFFAOYSA-N 1 0 249.354 3.080 50 0 BGAARO COc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000019565666 175264433 /nfs/dbraw/zinc/26/44/33/175264433.db2.gz TYYKFCZFMJZMIA-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO COc1ccccc1C[NH2+]CCc1ccccc1 ZINC000019570858 188107691 /nfs/dbraw/zinc/10/76/91/188107691.db2.gz UTYSBUBGYZSUPZ-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO C[NH+](C)Cn1c2ccccc2c2ccccc21 ZINC000019606714 342951851 /nfs/dbraw/zinc/95/18/51/342951851.db2.gz DCBDWGXHJDJBIG-UHFFFAOYSA-N 1 0 224.307 3.314 50 0 BGAARO CC(C)=CCC[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000019608662 343271738 /nfs/dbraw/zinc/27/17/38/343271738.db2.gz SKRKKINCKPLLBV-HNNXBMFYSA-N 1 0 238.419 3.006 50 0 BGAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000019608664 343271606 /nfs/dbraw/zinc/27/16/06/343271606.db2.gz SKRKKINCKPLLBV-OAHLLOKOSA-N 1 0 238.419 3.006 50 0 BGAARO CCC1CCC([N@H+](C)CCN(CC)CC)CC1 ZINC000019608903 342952481 /nfs/dbraw/zinc/95/24/81/342952481.db2.gz QSPUQJPGYXGUIV-UHFFFAOYSA-N 1 0 240.435 3.229 50 0 BGAARO Cc1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000019624624 179331582 /nfs/dbraw/zinc/33/15/82/179331582.db2.gz UUYMGBFNSCWMIZ-INIZCTEOSA-N 1 0 223.319 3.230 50 0 BGAARO Cc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000019624628 179351401 /nfs/dbraw/zinc/35/14/01/179351401.db2.gz UUYMGBFNSCWMIZ-MRXNPFEDSA-N 1 0 223.319 3.230 50 0 BGAARO Fc1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000019624632 384527579 /nfs/dbraw/zinc/52/75/79/384527579.db2.gz WTLVIBQCSXFNNQ-OAHLLOKOSA-N 1 0 227.282 3.061 50 0 BGAARO Fc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000019624637 181015884 /nfs/dbraw/zinc/01/58/84/181015884.db2.gz WTLVIBQCSXFNNQ-HNNXBMFYSA-N 1 0 227.282 3.061 50 0 BGAARO Fc1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000019624641 181003620 /nfs/dbraw/zinc/00/36/20/181003620.db2.gz VAGIVNDTBJRQGB-HNNXBMFYSA-N 1 0 227.282 3.061 50 0 BGAARO Fc1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000019624644 181003875 /nfs/dbraw/zinc/00/38/75/181003875.db2.gz VAGIVNDTBJRQGB-OAHLLOKOSA-N 1 0 227.282 3.061 50 0 BGAARO Fc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019624649 342952220 /nfs/dbraw/zinc/95/22/20/342952220.db2.gz MKPFRVUDEFFJHS-HNNXBMFYSA-N 1 0 227.282 3.061 50 0 BGAARO Fc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019624653 342952321 /nfs/dbraw/zinc/95/23/21/342952321.db2.gz MKPFRVUDEFFJHS-OAHLLOKOSA-N 1 0 227.282 3.061 50 0 BGAARO c1ccc(C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019624717 384529418 /nfs/dbraw/zinc/52/94/18/384529418.db2.gz YRYCIFUZSUMAAY-MRXNPFEDSA-N 1 0 223.319 3.116 50 0 endogenous,in-man BGAARO c1ccc(C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019624722 384528215 /nfs/dbraw/zinc/52/82/15/384528215.db2.gz YRYCIFUZSUMAAY-INIZCTEOSA-N 1 0 223.319 3.116 50 0 endogenous,in-man BGAARO CC[N@H+](CCN(C)C)Cc1ccc(C(C)C)cc1 ZINC000019633104 384532199 /nfs/dbraw/zinc/53/21/99/384532199.db2.gz XZNDLURXXCFORH-UHFFFAOYSA-N 1 0 248.414 3.194 50 0 BGAARO C[C@H](CC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000019634282 176292598 /nfs/dbraw/zinc/29/25/98/176292598.db2.gz PMGQZHMNKYVKJY-RBSFLKMASA-N 1 0 247.382 3.289 50 0 BGAARO C[C@@H](CC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000019634289 355943198 /nfs/dbraw/zinc/94/31/98/355943198.db2.gz PMGQZHMNKYVKJY-RRFJBIMHSA-N 1 0 247.382 3.289 50 0 BGAARO CC[N@H+](CCN(C)C)C[C@@H](C)CCC=C(C)C ZINC000019634294 384532781 /nfs/dbraw/zinc/53/27/81/384532781.db2.gz GBUIANVJABHCQL-HNNXBMFYSA-N 1 0 240.435 3.252 50 0 BGAARO CC[N@H+](CCN(C)C)C[C@H](C)CCC=C(C)C ZINC000019634297 384532460 /nfs/dbraw/zinc/53/24/60/384532460.db2.gz GBUIANVJABHCQL-OAHLLOKOSA-N 1 0 240.435 3.252 50 0 BGAARO C/C(=C\c1ccccc1)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000019634308 187252897 /nfs/dbraw/zinc/25/28/97/187252897.db2.gz BZZRQIOENOHKAS-IVBVFNMWSA-N 1 0 245.366 3.199 50 0 BGAARO C/C(=C\c1ccccc1)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019634315 384530444 /nfs/dbraw/zinc/53/04/44/384530444.db2.gz BZZRQIOENOHKAS-FQSSWDBKSA-N 1 0 245.366 3.199 50 0 BGAARO CCN(CC)CC[N@H+](CC)CC1CCCCC1 ZINC000019634562 710673832 /nfs/dbraw/zinc/67/38/32/710673832.db2.gz AQSMSJPJWFAOAW-UHFFFAOYSA-N 1 0 240.435 3.230 50 0 BGAARO CCN(CC)CC[N@H+](C)C1CCCCCCC1 ZINC000019636002 342952858 /nfs/dbraw/zinc/95/28/58/342952858.db2.gz NFJGXGZJTBCVSR-UHFFFAOYSA-N 1 0 240.435 3.373 50 0 BGAARO C(CN1CCCCC1)[NH2+]C1CCCCCCC1 ZINC000019636007 188108068 /nfs/dbraw/zinc/10/80/68/188108068.db2.gz KOCDHOPTNIAIEX-UHFFFAOYSA-N 1 0 238.419 3.175 50 0 BGAARO CCc1ccc(CN(C)CC[NH+](CC)CC)cc1 ZINC000019636461 171794522 /nfs/dbraw/zinc/79/45/22/171794522.db2.gz WCGUMEXYEWXJRF-UHFFFAOYSA-N 1 0 248.414 3.023 50 0 BGAARO Clc1cccc(CC[NH2+]Cc2cccnc2)c1 ZINC000019642994 342952912 /nfs/dbraw/zinc/95/29/12/342952912.db2.gz WUFZWSYJPJXCGC-UHFFFAOYSA-N 1 0 246.741 3.067 50 0 BGAARO CC(C)([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019673407 342953309 /nfs/dbraw/zinc/95/33/09/342953309.db2.gz HPPKUNCSPAIKBD-UHFFFAOYSA-N 1 0 204.100 3.187 50 0 BGAARO [NH3+]CCSCc1ccc(Cl)c(Cl)c1 ZINC000019687280 384532453 /nfs/dbraw/zinc/53/24/53/384532453.db2.gz WGBDTPPGAOCRGB-UHFFFAOYSA-N 1 0 236.167 3.185 50 0 BGAARO Cn1c2ccccc2c2c1CC(C)(C)[NH2+]C2(C)C ZINC000019691072 371183839 /nfs/dbraw/zinc/18/38/39/371183839.db2.gz QUMRKMXQBQUURH-UHFFFAOYSA-N 1 0 242.366 3.338 50 0 BGAARO CC(C)Oc1ccc2ccccc2c1C[NH3+] ZINC000019702698 167303540 /nfs/dbraw/zinc/30/35/40/167303540.db2.gz SFSIQOGCFKWXBV-UHFFFAOYSA-N 1 0 215.296 3.086 50 0 BGAARO CC1(C)Cc2[nH]c3ccccc3c2C(C)(C)[NH2+]1 ZINC000019703146 188107660 /nfs/dbraw/zinc/10/76/60/188107660.db2.gz KTRMOHGEUZMGAM-UHFFFAOYSA-N 1 0 228.339 3.327 50 0 BGAARO COc1ccccc1CC[NH2+]Cc1ccccc1 ZINC000019720571 175323617 /nfs/dbraw/zinc/32/36/17/175323617.db2.gz XHXJIYMJKQCQFX-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO Clc1ccc(CC[NH2+]Cc2ccncc2)cc1 ZINC000019720593 342954355 /nfs/dbraw/zinc/95/43/55/342954355.db2.gz LUNHCCVXOZOINB-UHFFFAOYSA-N 1 0 246.741 3.067 50 0 BGAARO CC(C)n1c2ccccc2nc1CCCCC[NH3+] ZINC000019734670 342955256 /nfs/dbraw/zinc/95/52/56/342955256.db2.gz YHMYRTGBJGIMBZ-UHFFFAOYSA-N 1 0 245.370 3.289 50 0 BGAARO Cc1ccc2[nH]c(C3CCC(C[NH3+])CC3)nc2c1 ZINC000019737163 342955779 /nfs/dbraw/zinc/95/57/79/342955779.db2.gz HVMIDSJYEROFEC-UHFFFAOYSA-N 1 0 243.354 3.104 50 0 BGAARO Cc1cccc2[nH]c(C3CCC(C[NH3+])CC3)nc21 ZINC000019737167 384538705 /nfs/dbraw/zinc/53/87/05/384538705.db2.gz SXVVPKOKPJQJLJ-UHFFFAOYSA-N 1 0 243.354 3.104 50 0 BGAARO c1cc2ccc(C[NH2+]C3CCCC3)cc2[nH]1 ZINC000019737382 183376422 /nfs/dbraw/zinc/37/64/22/183376422.db2.gz QHDSREFSRVFBBS-UHFFFAOYSA-N 1 0 214.312 3.200 50 0 BGAARO c1cc2ccc(C[NH2+]Cc3ccccc3)cc2[nH]1 ZINC000019737383 384538969 /nfs/dbraw/zinc/53/89/69/384538969.db2.gz UXSDTZMLCXNFPJ-UHFFFAOYSA-N 1 0 236.318 3.458 50 0 BGAARO Cc1ccccc1CC[NH2+]Cc1ccccc1 ZINC000019737838 179264945 /nfs/dbraw/zinc/26/49/45/179264945.db2.gz NJVZFDFLJDKUDC-UHFFFAOYSA-N 1 0 225.335 3.327 50 0 BGAARO CCCCOc1ccccc1C[NH2+]C(C)C ZINC000019737974 342955629 /nfs/dbraw/zinc/95/56/29/342955629.db2.gz UTOLWEKJEAXYLT-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC(C)COc1cccc(C[NH2+]C(C)C)c1 ZINC000019737977 384538256 /nfs/dbraw/zinc/53/82/56/384538256.db2.gz AFKMPYQHPTZBAM-UHFFFAOYSA-N 1 0 221.344 3.219 50 0 BGAARO CCc1ccc(OCC[NH2+]Cc2ccco2)cc1 ZINC000019737993 384538629 /nfs/dbraw/zinc/53/86/29/384538629.db2.gz JVTHOAYZOWMVIQ-UHFFFAOYSA-N 1 0 245.322 3.011 50 0 BGAARO Cc1ccc(O[C@@H](C)C[NH2+]Cc2ccco2)cc1 ZINC000019737994 384538672 /nfs/dbraw/zinc/53/86/72/384538672.db2.gz INLASZPDVMEHTD-ZDUSSCGKSA-N 1 0 245.322 3.145 50 0 BGAARO Cc1ccc(O[C@H](C)C[NH2+]Cc2ccco2)cc1 ZINC000019737995 384538390 /nfs/dbraw/zinc/53/83/90/384538390.db2.gz INLASZPDVMEHTD-CYBMUJFWSA-N 1 0 245.322 3.145 50 0 BGAARO Cc1ccc(OCC[NH2+]Cc2ccco2)cc1C ZINC000019737996 384537229 /nfs/dbraw/zinc/53/72/29/384537229.db2.gz OCBQIYDQVAWAQU-UHFFFAOYSA-N 1 0 245.322 3.065 50 0 BGAARO CCC[NH2+]CCOc1ccccc1C(C)C ZINC000019738003 169260375 /nfs/dbraw/zinc/26/03/75/169260375.db2.gz ZFKBVMRHXFCPFY-UHFFFAOYSA-N 1 0 221.344 3.188 50 0 BGAARO CCC[NH2+]C[C@@H](CC)Oc1ccccc1C ZINC000019738005 169262090 /nfs/dbraw/zinc/26/20/90/169262090.db2.gz WEQQBBDQQHUERL-CYBMUJFWSA-N 1 0 221.344 3.152 50 0 BGAARO CCC[NH2+]C[C@H](CC)Oc1ccccc1C ZINC000019738006 169263427 /nfs/dbraw/zinc/26/34/27/169263427.db2.gz WEQQBBDQQHUERL-ZDUSSCGKSA-N 1 0 221.344 3.152 50 0 BGAARO CCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000019738007 169266634 /nfs/dbraw/zinc/26/66/34/169266634.db2.gz GRJVQNMJFISESN-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CCCCCOc1ccccc1C[NH2+]CC ZINC000019738109 168731016 /nfs/dbraw/zinc/73/10/16/168731016.db2.gz JVHCBUUOSOQOMF-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000019738112 170127541 /nfs/dbraw/zinc/12/75/41/170127541.db2.gz DGWNEIVHDCJQPD-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CC[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000019738113 170118702 /nfs/dbraw/zinc/11/87/02/170118702.db2.gz VQUPBVDAVIAHGH-GFCCVEGCSA-N 1 0 221.344 3.187 50 0 BGAARO CC[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000019738114 170121837 /nfs/dbraw/zinc/12/18/37/170121837.db2.gz VQUPBVDAVIAHGH-LBPRGKRZSA-N 1 0 221.344 3.187 50 0 BGAARO Cc1ccccc1OCC[NH2+]Cc1cccs1 ZINC000019738132 179310358 /nfs/dbraw/zinc/31/03/58/179310358.db2.gz KQEXKIIYGMLAAG-UHFFFAOYSA-N 1 0 247.363 3.225 50 0 BGAARO CC[C@@H](C)[NH2+]CCOc1cc(C)cc(C)c1 ZINC000019738530 170751649 /nfs/dbraw/zinc/75/16/49/170751649.db2.gz GCDLYPKYGXDZJR-CYBMUJFWSA-N 1 0 221.344 3.070 50 0 BGAARO CC[C@H](C)[NH2+]CCOc1cc(C)cc(C)c1 ZINC000019738531 171340630 /nfs/dbraw/zinc/34/06/30/171340630.db2.gz GCDLYPKYGXDZJR-ZDUSSCGKSA-N 1 0 221.344 3.070 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000019738551 170753812 /nfs/dbraw/zinc/75/38/12/170753812.db2.gz OUOXJFWINYEKCS-GFCCVEGCSA-N 1 0 221.344 3.362 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000019738552 171343702 /nfs/dbraw/zinc/34/37/02/171343702.db2.gz OUOXJFWINYEKCS-LBPRGKRZSA-N 1 0 221.344 3.362 50 0 BGAARO Clc1cccc2c(C3=CC[NH2+]CC3)c[nH]c21 ZINC000019772462 342957014 /nfs/dbraw/zinc/95/70/14/342957014.db2.gz WIQCMQLBKMEVQS-UHFFFAOYSA-N 1 0 232.714 3.198 50 0 BGAARO CCCOc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000019772591 169318295 /nfs/dbraw/zinc/31/82/95/169318295.db2.gz MANUQPOYKSKSCI-UHFFFAOYSA-N 1 0 245.322 3.358 50 0 BGAARO C[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000019777494 173389224 /nfs/dbraw/zinc/38/92/24/173389224.db2.gz IABZLYXBTIJOLB-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000019777498 173389714 /nfs/dbraw/zinc/38/97/14/173389714.db2.gz IBPQSYFSIRSODR-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000019777499 173390226 /nfs/dbraw/zinc/39/02/26/173390226.db2.gz DQARXCUJZLQEMH-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000019777500 173388852 /nfs/dbraw/zinc/38/88/52/173388852.db2.gz QZTUGGREUOWZLV-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000019777501 173389594 /nfs/dbraw/zinc/38/95/94/173389594.db2.gz LPMUTZUODOBZRR-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO C[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000019777502 173390708 /nfs/dbraw/zinc/39/07/08/173390708.db2.gz URRBIICIZRWPSA-UHFFFAOYSA-N 1 0 241.334 3.293 50 0 BGAARO [NH3+]CCCc1ccc(OCc2ccccc2)cc1 ZINC000019787636 342957471 /nfs/dbraw/zinc/95/74/71/342957471.db2.gz WSKYXSVLAFGEJW-UHFFFAOYSA-N 1 0 241.334 3.157 50 0 BGAARO CC[N@H+](CCCCO)CCCCc1ccccc1 ZINC000019792272 388746948 /nfs/dbraw/zinc/74/69/48/388746948.db2.gz NEWQBGNZUJFTSV-UHFFFAOYSA-N 1 0 249.398 3.104 50 0 BGAARO Cc1ccsc1C[NH2+]CCc1ccccc1 ZINC000019797557 342958173 /nfs/dbraw/zinc/95/81/73/342958173.db2.gz ZVWVVOCEJMXZDN-UHFFFAOYSA-N 1 0 231.364 3.389 50 0 BGAARO CC[n+]1ccc(/C=C/c2ccccc2)cc1 ZINC000019799724 385311415 /nfs/dbraw/zinc/31/14/15/385311415.db2.gz KQIKBCIUKCVUAH-CMDGGOBGSA-N 1 0 210.300 3.164 50 0 BGAARO CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000019807355 169267222 /nfs/dbraw/zinc/26/72/22/169267222.db2.gz WKPGLXISYJWPGB-UHFFFAOYSA-N 1 0 205.345 3.484 50 0 BGAARO CC(C)(C)c1ccccc1OCC1CC[NH2+]CC1 ZINC000019808914 342958831 /nfs/dbraw/zinc/95/88/31/342958831.db2.gz JKPPJNBRGWFLEZ-UHFFFAOYSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)(C)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000019808916 342958561 /nfs/dbraw/zinc/95/85/61/342958561.db2.gz NIGVJMFMTQMHNB-CYBMUJFWSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)(C)c1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000019808917 384542032 /nfs/dbraw/zinc/54/20/32/384542032.db2.gz NIGVJMFMTQMHNB-ZDUSSCGKSA-N 1 0 247.382 3.363 50 0 BGAARO Cc1cc(OCC2CC[NH2+]CC2)ccc1C(C)C ZINC000019808943 178209523 /nfs/dbraw/zinc/20/95/23/178209523.db2.gz ZKKQKNJKLRJDJJ-UHFFFAOYSA-N 1 0 247.382 3.497 50 0 BGAARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1C(C)C ZINC000019808945 178211747 /nfs/dbraw/zinc/21/17/47/178211747.db2.gz NYFLDUABINVBCB-CQSZACIVSA-N 1 0 247.382 3.497 50 0 BGAARO Cc1cc(OC[C@H]2CCC[NH2+]C2)ccc1C(C)C ZINC000019808947 178212258 /nfs/dbraw/zinc/21/22/58/178212258.db2.gz NYFLDUABINVBCB-AWEZNQCLSA-N 1 0 247.382 3.497 50 0 BGAARO Cc1ccc(OC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000019810446 178809135 /nfs/dbraw/zinc/80/91/35/178809135.db2.gz DTYGQVHRAKKBOZ-UHFFFAOYSA-N 1 0 247.382 3.423 50 0 BGAARO Cc1cc(OC2CC[NH2+]CC2)ccc1C(C)C ZINC000019810449 178208323 /nfs/dbraw/zinc/20/83/23/178208323.db2.gz SVEWAYCMPWZMHR-UHFFFAOYSA-N 1 0 233.355 3.249 50 0 BGAARO c1ccc2c(c1)cccc2C1=CC[NH2+]CC1 ZINC000019811330 219814922 /nfs/dbraw/zinc/81/49/22/219814922.db2.gz PZFSNQTXBRIQQF-UHFFFAOYSA-N 1 0 209.292 3.217 50 0 BGAARO FC(F)(F)c1ccccc1C1=CC[NH2+]CC1 ZINC000019811346 384540739 /nfs/dbraw/zinc/54/07/39/384540739.db2.gz PXOCJMKTXBMFNT-UHFFFAOYSA-N 1 0 227.229 3.082 50 0 BGAARO c1ccc2cc(C3=CC[NH2+]CC3)ccc2c1 ZINC000019811359 187252716 /nfs/dbraw/zinc/25/27/16/187252716.db2.gz FARRLQPEWDADQF-UHFFFAOYSA-N 1 0 209.292 3.217 50 0 BGAARO Clc1ccc(C2=CC[NH2+]CC2)cc1Cl ZINC000019811367 384541634 /nfs/dbraw/zinc/54/16/34/384541634.db2.gz OENHQMQUZYKXFG-UHFFFAOYSA-N 1 0 228.122 3.370 50 0 BGAARO CCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000019836353 169276649 /nfs/dbraw/zinc/27/66/49/169276649.db2.gz BCWAYBNJNLLNSC-JTQLQIEISA-N 1 0 209.358 3.469 50 0 BGAARO CCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000019836355 169286719 /nfs/dbraw/zinc/28/67/19/169286719.db2.gz BCWAYBNJNLLNSC-SNVBAGLBSA-N 1 0 209.358 3.469 50 0 BGAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CC12CCCC2 ZINC000019841297 643049650 /nfs/dbraw/zinc/04/96/50/643049650.db2.gz HLUSIVDWSUWUFF-AWEZNQCLSA-N 1 0 230.355 3.094 50 0 BGAARO C[N@@H+](Cc1cccnc1)C[C@H]1CC12CCCC2 ZINC000019841300 643049204 /nfs/dbraw/zinc/04/92/04/643049204.db2.gz HLUSIVDWSUWUFF-CQSZACIVSA-N 1 0 230.355 3.094 50 0 BGAARO Clc1ccc(CC[NH2+]Cc2cccnc2)cc1 ZINC000019841326 342959409 /nfs/dbraw/zinc/95/94/09/342959409.db2.gz KZJZOFGDJZVABM-UHFFFAOYSA-N 1 0 246.741 3.067 50 0 BGAARO [NH3+][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000019841960 342959288 /nfs/dbraw/zinc/95/92/88/342959288.db2.gz HFNYTYLFYVCWGO-NSHDSACASA-N 1 0 223.728 3.450 50 0 BGAARO [NH3+][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000019841965 342959595 /nfs/dbraw/zinc/95/95/95/342959595.db2.gz HFNYTYLFYVCWGO-LLVKDONJSA-N 1 0 223.728 3.450 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000019858056 180963952 /nfs/dbraw/zinc/96/39/52/180963952.db2.gz AZLFOVASGBMLOJ-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO CCN(c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000019865423 342960382 /nfs/dbraw/zinc/96/03/82/342960382.db2.gz OHMFRAHJYIYNMO-UHFFFAOYSA-N 1 0 226.323 3.303 50 0 BGAARO Fc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000019871767 342960350 /nfs/dbraw/zinc/96/03/50/342960350.db2.gz ADDZHOPESISODO-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO Fc1ccccc1CC[NH2+]Cc1ccccc1 ZINC000019871785 181011924 /nfs/dbraw/zinc/01/19/24/181011924.db2.gz PQMKBIKRTOQYRF-UHFFFAOYSA-N 1 0 229.298 3.158 50 0 BGAARO Cc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000019871787 178607731 /nfs/dbraw/zinc/60/77/31/178607731.db2.gz XVGPTCWPHKGAKP-UHFFFAOYSA-N 1 0 243.325 3.466 50 0 BGAARO COc1ccc(CC[NH2+]Cc2cccs2)cc1 ZINC000019871791 175091405 /nfs/dbraw/zinc/09/14/05/175091405.db2.gz LVVGQVHMJWBGLQ-UHFFFAOYSA-N 1 0 247.363 3.089 50 0 BGAARO C[C@@H]([NH3+])c1ccccc1Oc1ccccc1 ZINC000019873664 384549218 /nfs/dbraw/zinc/54/92/18/384549218.db2.gz RCVUOJLMRKMBRS-LLVKDONJSA-N 1 0 213.280 3.499 50 0 BGAARO C[C@H]([NH3+])c1ccccc1Oc1ccccc1 ZINC000019873665 176778633 /nfs/dbraw/zinc/77/86/33/176778633.db2.gz RCVUOJLMRKMBRS-NSHDSACASA-N 1 0 213.280 3.499 50 0 BGAARO Cc1ccc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000019878086 342960964 /nfs/dbraw/zinc/96/09/64/342960964.db2.gz PRDUHYHLTSGRRQ-GFCCVEGCSA-N 1 0 215.296 3.439 50 0 BGAARO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000019878087 342960874 /nfs/dbraw/zinc/96/08/74/342960874.db2.gz PRDUHYHLTSGRRQ-LBPRGKRZSA-N 1 0 215.296 3.439 50 0 BGAARO Fc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000019878854 180996595 /nfs/dbraw/zinc/99/65/95/180996595.db2.gz VZYLCWFYZXAELP-UHFFFAOYSA-N 1 0 207.292 3.248 50 0 BGAARO C[C@@H]([NH2+]C1CCCCC1)c1ccncc1 ZINC000019878988 175860475 /nfs/dbraw/zinc/86/04/75/175860475.db2.gz VZOSUGBBZLQCOF-LLVKDONJSA-N 1 0 204.317 3.065 50 0 BGAARO C[C@H]([NH2+]C1CCCCC1)c1ccncc1 ZINC000019878990 384548595 /nfs/dbraw/zinc/54/85/95/384548595.db2.gz VZOSUGBBZLQCOF-NSHDSACASA-N 1 0 204.317 3.065 50 0 BGAARO CCC(C)(C)[NH2+]Cc1ccc(F)cc1F ZINC000019879717 168299248 /nfs/dbraw/zinc/29/92/48/168299248.db2.gz VFEHISFMCXOOQJ-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO CCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000019879731 168299062 /nfs/dbraw/zinc/29/90/62/168299062.db2.gz DHHBKIYNMIIOLA-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO CC(C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000019880342 167118489 /nfs/dbraw/zinc/11/84/89/167118489.db2.gz WHDCCHSVVSYPGM-UHFFFAOYSA-N 1 0 205.345 3.482 50 0 BGAARO CC(C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019880478 167118598 /nfs/dbraw/zinc/11/85/98/167118598.db2.gz WPZZZIHJKLUFKE-UHFFFAOYSA-N 1 0 217.234 3.203 50 0 BGAARO CCOc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000019880732 342960685 /nfs/dbraw/zinc/96/06/85/342960685.db2.gz SNDDMLDWMMMEKZ-LLVKDONJSA-N 1 0 207.317 3.144 50 0 BGAARO CCOc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000019880733 342960902 /nfs/dbraw/zinc/96/09/02/342960902.db2.gz SNDDMLDWMMMEKZ-NSHDSACASA-N 1 0 207.317 3.144 50 0 BGAARO CC(C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019881007 167132245 /nfs/dbraw/zinc/13/22/45/167132245.db2.gz SBTXCOWYXDSDEC-JTQLQIEISA-N 1 0 203.285 3.492 50 0 BGAARO CC(C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019881010 167138429 /nfs/dbraw/zinc/13/84/29/167138429.db2.gz SBTXCOWYXDSDEC-SNVBAGLBSA-N 1 0 203.285 3.492 50 0 BGAARO CC[C@@H]([NH2+]CCOC)c1cccc(Cl)c1 ZINC000019881418 384549799 /nfs/dbraw/zinc/54/97/99/384549799.db2.gz PCBPFRATHPRXQT-GFCCVEGCSA-N 1 0 227.735 3.027 50 0 BGAARO CC[C@H]([NH2+]CCOC)c1cccc(Cl)c1 ZINC000019881419 342960831 /nfs/dbraw/zinc/96/08/31/342960831.db2.gz PCBPFRATHPRXQT-LBPRGKRZSA-N 1 0 227.735 3.027 50 0 BGAARO COCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019881449 174338026 /nfs/dbraw/zinc/33/80/26/174338026.db2.gz MMSRMJPVYUOYDN-VIFPVBQESA-N 1 0 247.260 3.002 50 0 BGAARO COCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019881452 174339835 /nfs/dbraw/zinc/33/98/35/174339835.db2.gz MMSRMJPVYUOYDN-SECBINFHSA-N 1 0 247.260 3.002 50 0 BGAARO COCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000019881455 174338192 /nfs/dbraw/zinc/33/81/92/174338192.db2.gz VJILASMKYZVJHT-QMMMGPOBSA-N 1 0 248.153 3.290 50 0 BGAARO COCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000019881457 174339156 /nfs/dbraw/zinc/33/91/56/174339156.db2.gz VJILASMKYZVJHT-MRVPVSSYSA-N 1 0 248.153 3.290 50 0 BGAARO COCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000019881459 174338211 /nfs/dbraw/zinc/33/82/11/174338211.db2.gz PJRSKPIMGFJOGA-QMMMGPOBSA-N 1 0 248.153 3.290 50 0 BGAARO COCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000019881461 174339907 /nfs/dbraw/zinc/33/99/07/174339907.db2.gz PJRSKPIMGFJOGA-MRVPVSSYSA-N 1 0 248.153 3.290 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000019881873 384547976 /nfs/dbraw/zinc/54/79/76/384547976.db2.gz DEDLGEUEZCQOCA-CYBMUJFWSA-N 1 0 205.345 3.500 50 0 BGAARO CC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000019881874 171342171 /nfs/dbraw/zinc/34/21/71/171342171.db2.gz DEDLGEUEZCQOCA-ZDUSSCGKSA-N 1 0 205.345 3.500 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000019881991 170756309 /nfs/dbraw/zinc/75/63/09/170756309.db2.gz BCZJTLKNUNDZCJ-OLZOCXBDSA-N 1 0 205.345 3.396 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000019881992 171345168 /nfs/dbraw/zinc/34/51/68/171345168.db2.gz BCZJTLKNUNDZCJ-STQMWFEESA-N 1 0 205.345 3.396 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000019881993 342961113 /nfs/dbraw/zinc/96/11/13/342961113.db2.gz BCZJTLKNUNDZCJ-CHWSQXEVSA-N 1 0 205.345 3.396 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000019881994 171348085 /nfs/dbraw/zinc/34/80/85/171348085.db2.gz BCZJTLKNUNDZCJ-QWHCGFSZSA-N 1 0 205.345 3.396 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000019882063 342961239 /nfs/dbraw/zinc/96/12/39/342961239.db2.gz OERKNEWPVKSCKP-MNOVXSKESA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000019882064 171346258 /nfs/dbraw/zinc/34/62/58/171346258.db2.gz OERKNEWPVKSCKP-QWRGUYRKSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000019882065 342961217 /nfs/dbraw/zinc/96/12/17/342961217.db2.gz OERKNEWPVKSCKP-GHMZBOCLSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000019882066 171347978 /nfs/dbraw/zinc/34/79/78/171347978.db2.gz OERKNEWPVKSCKP-WDEREUQCSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019882252 342961168 /nfs/dbraw/zinc/96/11/68/342961168.db2.gz XAUGGTPEECHTNR-MNOVXSKESA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019882255 171346344 /nfs/dbraw/zinc/34/63/44/171346344.db2.gz XAUGGTPEECHTNR-QWRGUYRKSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019882258 170757867 /nfs/dbraw/zinc/75/78/67/170757867.db2.gz XAUGGTPEECHTNR-GHMZBOCLSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019882260 171348322 /nfs/dbraw/zinc/34/83/22/171348322.db2.gz XAUGGTPEECHTNR-WDEREUQCSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019882280 342961195 /nfs/dbraw/zinc/96/11/95/342961195.db2.gz LRLGCYMZOOBLBS-MNOVXSKESA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019882283 171345820 /nfs/dbraw/zinc/34/58/20/171345820.db2.gz LRLGCYMZOOBLBS-QWRGUYRKSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019882286 342961121 /nfs/dbraw/zinc/96/11/21/342961121.db2.gz LRLGCYMZOOBLBS-GHMZBOCLSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019882288 171348216 /nfs/dbraw/zinc/34/82/16/171348216.db2.gz LRLGCYMZOOBLBS-WDEREUQCSA-N 1 0 207.317 3.144 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019882578 342961278 /nfs/dbraw/zinc/96/12/78/342961278.db2.gz MCMXIAMHEGXXGV-BDAKNGLRSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019882579 171346437 /nfs/dbraw/zinc/34/64/37/171346437.db2.gz MCMXIAMHEGXXGV-IUCAKERBSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019882580 342961141 /nfs/dbraw/zinc/96/11/41/342961141.db2.gz MCMXIAMHEGXXGV-RKDXNWHRSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019882581 171347951 /nfs/dbraw/zinc/34/79/51/171347951.db2.gz MCMXIAMHEGXXGV-DTWKUNHWSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019882582 342961365 /nfs/dbraw/zinc/96/13/65/342961365.db2.gz RWQTTXXIOBHPPX-BDAKNGLRSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019882584 171346088 /nfs/dbraw/zinc/34/60/88/171346088.db2.gz RWQTTXXIOBHPPX-IUCAKERBSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019882586 342961174 /nfs/dbraw/zinc/96/11/74/342961174.db2.gz RWQTTXXIOBHPPX-RKDXNWHRSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019882588 171348169 /nfs/dbraw/zinc/34/81/69/171348169.db2.gz RWQTTXXIOBHPPX-DTWKUNHWSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019882659 342961193 /nfs/dbraw/zinc/96/11/93/342961193.db2.gz RKTXEBVTHZWLSK-BDAKNGLRSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019882661 171345801 /nfs/dbraw/zinc/34/58/01/171345801.db2.gz RKTXEBVTHZWLSK-IUCAKERBSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019882662 342961151 /nfs/dbraw/zinc/96/11/51/342961151.db2.gz RKTXEBVTHZWLSK-RKDXNWHRSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019882663 171348208 /nfs/dbraw/zinc/34/82/08/171348208.db2.gz RKTXEBVTHZWLSK-DTWKUNHWSA-N 1 0 213.271 3.414 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000019882777 256522198 /nfs/dbraw/zinc/52/21/98/256522198.db2.gz OYWYQJZESIWELO-SSDOTTSWSA-N 1 0 248.189 3.399 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000019882779 171342658 /nfs/dbraw/zinc/34/26/58/171342658.db2.gz OYWYQJZESIWELO-ZETCQYMHSA-N 1 0 248.189 3.399 50 0 BGAARO CC(C)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019882926 167007460 /nfs/dbraw/zinc/00/74/60/167007460.db2.gz YWYOFQWFPHCRLC-UHFFFAOYSA-N 1 0 229.270 3.034 50 0 BGAARO CC(C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000019882927 167010059 /nfs/dbraw/zinc/01/00/59/167010059.db2.gz LFJBYWKZZXEZKN-UHFFFAOYSA-N 1 0 231.261 3.451 50 0 BGAARO Cc1cc(C)c(C[NH2+]CC(C)C)c(C)c1 ZINC000019882934 177860265 /nfs/dbraw/zinc/86/02/65/177860265.db2.gz MUCOTRMUBFGIHK-UHFFFAOYSA-N 1 0 205.345 3.357 50 0 BGAARO CC(C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000019882997 384550253 /nfs/dbraw/zinc/55/02/53/384550253.db2.gz BAPRTWMDQQJUMY-ZDUSSCGKSA-N 1 0 205.345 3.253 50 0 BGAARO CC(C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000019882998 167013730 /nfs/dbraw/zinc/01/37/30/167013730.db2.gz BAPRTWMDQQJUMY-CYBMUJFWSA-N 1 0 205.345 3.253 50 0 BGAARO COc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000019883022 175344722 /nfs/dbraw/zinc/34/47/22/175344722.db2.gz UYVFELLECGFQBV-LLVKDONJSA-N 1 0 207.317 3.002 50 0 BGAARO COc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000019883023 175350594 /nfs/dbraw/zinc/35/05/94/175350594.db2.gz UYVFELLECGFQBV-NSHDSACASA-N 1 0 207.317 3.002 50 0 BGAARO COc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000019883085 384549995 /nfs/dbraw/zinc/54/99/95/384549995.db2.gz MLKZUJUAOFNUSP-LLVKDONJSA-N 1 0 207.317 3.002 50 0 BGAARO COc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000019883087 175188598 /nfs/dbraw/zinc/18/85/98/175188598.db2.gz MLKZUJUAOFNUSP-NSHDSACASA-N 1 0 207.317 3.002 50 0 BGAARO CC(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019883169 384550310 /nfs/dbraw/zinc/55/03/10/384550310.db2.gz BPIMNDSGSFXTAY-VIFPVBQESA-N 1 0 213.271 3.271 50 0 BGAARO CC(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019883170 167013035 /nfs/dbraw/zinc/01/30/35/167013035.db2.gz BPIMNDSGSFXTAY-SECBINFHSA-N 1 0 213.271 3.271 50 0 BGAARO CC(C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019883171 342961116 /nfs/dbraw/zinc/96/11/16/342961116.db2.gz GMZXWNGRVIEVQH-VIFPVBQESA-N 1 0 213.271 3.271 50 0 BGAARO CC(C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019883173 167013828 /nfs/dbraw/zinc/01/38/28/167013828.db2.gz GMZXWNGRVIEVQH-SECBINFHSA-N 1 0 213.271 3.271 50 0 BGAARO CC(C)C[NH2+]Cc1ccc(Br)s1 ZINC000019883257 167007850 /nfs/dbraw/zinc/00/78/50/167007850.db2.gz ZCWWODRQTMEAEF-UHFFFAOYSA-N 1 0 248.189 3.256 50 0 BGAARO CC(C)C[NH2+]Cc1ccccc1Br ZINC000019883287 167009839 /nfs/dbraw/zinc/00/98/39/167009839.db2.gz ORZZHXXYUMBVET-UHFFFAOYSA-N 1 0 242.160 3.195 50 0 BGAARO CC(C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000019883298 167011042 /nfs/dbraw/zinc/01/10/42/167011042.db2.gz NCYVSDIOKPOFQK-CQSZACIVSA-N 1 0 203.329 3.310 50 0 BGAARO CC(C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000019883300 167015314 /nfs/dbraw/zinc/01/53/14/167015314.db2.gz NCYVSDIOKPOFQK-AWEZNQCLSA-N 1 0 203.329 3.310 50 0 BGAARO Cc1ccc(C[NH2+]C2CCCC2)c(C)c1 ZINC000019883307 342961179 /nfs/dbraw/zinc/96/11/79/342961179.db2.gz SWFZTJPZNRCEKM-UHFFFAOYSA-N 1 0 203.329 3.336 50 0 BGAARO C[C@@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000019883453 384547896 /nfs/dbraw/zinc/54/78/96/384547896.db2.gz MPXKFAFESOJUHK-SNVBAGLBSA-N 1 0 207.292 3.419 50 0 BGAARO C[C@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000019883455 384548732 /nfs/dbraw/zinc/54/87/32/384548732.db2.gz MPXKFAFESOJUHK-JTQLQIEISA-N 1 0 207.292 3.419 50 0 BGAARO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCCC1 ZINC000019883481 384548031 /nfs/dbraw/zinc/54/80/31/384548031.db2.gz RPVBJEBTHPXKRD-CQSZACIVSA-N 1 0 201.313 3.206 50 0 BGAARO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCC1 ZINC000019883482 183444502 /nfs/dbraw/zinc/44/45/02/183444502.db2.gz RPVBJEBTHPXKRD-AWEZNQCLSA-N 1 0 201.313 3.206 50 0 BGAARO C[C@@H]([NH2+]C1CCCC1)c1nc2ccccc2n1C ZINC000019883599 386534423 /nfs/dbraw/zinc/53/44/23/386534423.db2.gz QYTGVJYLYNIHIF-LLVKDONJSA-N 1 0 243.354 3.167 50 0 BGAARO C[C@H]([NH2+]C1CCCC1)c1nc2ccccc2n1C ZINC000019883601 386534960 /nfs/dbraw/zinc/53/49/60/386534960.db2.gz QYTGVJYLYNIHIF-NSHDSACASA-N 1 0 243.354 3.167 50 0 BGAARO C[C@@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000019883634 384549716 /nfs/dbraw/zinc/54/97/16/384549716.db2.gz JCHIPIAYWBWUMR-SNVBAGLBSA-N 1 0 207.292 3.419 50 0 BGAARO C[C@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000019883636 176829217 /nfs/dbraw/zinc/82/92/17/176829217.db2.gz JCHIPIAYWBWUMR-JTQLQIEISA-N 1 0 207.292 3.419 50 0 BGAARO CCC(CC)[NH2+]Cc1ccc(F)cc1F ZINC000019883727 168390291 /nfs/dbraw/zinc/39/02/91/168390291.db2.gz XEFJQDLSTUNJMA-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO CCOc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000019883737 170543986 /nfs/dbraw/zinc/54/39/86/170543986.db2.gz AGWOYJOFCAUXHK-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000019886009 168164942 /nfs/dbraw/zinc/16/49/42/168164942.db2.gz VNWCMZIKLFWDSD-UHFFFAOYSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000019886013 176080649 /nfs/dbraw/zinc/08/06/49/176080649.db2.gz TVJYCAAOBFIDMH-OCCSQVGLSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000019886014 177083671 /nfs/dbraw/zinc/08/36/71/177083671.db2.gz TVJYCAAOBFIDMH-JSGCOSHPSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000019886015 176088440 /nfs/dbraw/zinc/08/84/40/176088440.db2.gz TVJYCAAOBFIDMH-TZMCWYRMSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000019886016 177088638 /nfs/dbraw/zinc/08/86/38/177088638.db2.gz TVJYCAAOBFIDMH-GXTWGEPZSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000019886017 176123191 /nfs/dbraw/zinc/12/31/91/176123191.db2.gz PJZUGZPATUOUEE-TZMCWYRMSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000019886018 177123100 /nfs/dbraw/zinc/12/31/00/177123100.db2.gz PJZUGZPATUOUEE-GXTWGEPZSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000019886019 176144082 /nfs/dbraw/zinc/14/40/82/176144082.db2.gz PJZUGZPATUOUEE-OCCSQVGLSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000019886020 177137406 /nfs/dbraw/zinc/13/74/06/177137406.db2.gz PJZUGZPATUOUEE-JSGCOSHPSA-N 1 0 203.329 3.355 50 0 BGAARO c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000019899667 384553331 /nfs/dbraw/zinc/55/33/31/384553331.db2.gz BWXXDRVTEMGSAG-OAHLLOKOSA-N 1 0 239.318 3.300 50 0 BGAARO c1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000019899668 384553313 /nfs/dbraw/zinc/55/33/13/384553313.db2.gz BWXXDRVTEMGSAG-HNNXBMFYSA-N 1 0 239.318 3.300 50 0 BGAARO CCC(CC)N1CC[NH+](C2CCCCC2)CC1 ZINC000019900028 168376400 /nfs/dbraw/zinc/37/64/00/168376400.db2.gz WHRPWIQGDMSVPH-UHFFFAOYSA-N 1 0 238.419 3.125 50 0 BGAARO C[NH+]1CCC(Nc2cccc3ccccc32)CC1 ZINC000019900794 342962215 /nfs/dbraw/zinc/96/22/15/342962215.db2.gz LDXQYDIVZWWYQL-UHFFFAOYSA-N 1 0 240.350 3.346 50 0 BGAARO CCCCC[NH2+]Cc1ccc(F)cc1F ZINC000019901231 342962111 /nfs/dbraw/zinc/96/21/11/342962111.db2.gz BPDVQDBKBADHMN-UHFFFAOYSA-N 1 0 213.271 3.245 50 0 BGAARO CCCCC[NH2+]Cc1c(F)cccc1F ZINC000019901241 342962013 /nfs/dbraw/zinc/96/20/13/342962013.db2.gz URBRSZOIWJYMBR-UHFFFAOYSA-N 1 0 213.271 3.245 50 0 BGAARO CCCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019901243 342962184 /nfs/dbraw/zinc/96/21/84/342962184.db2.gz UGXWAXIDVKETGH-UHFFFAOYSA-N 1 0 213.271 3.245 50 0 BGAARO CCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000019901385 342961980 /nfs/dbraw/zinc/96/19/80/342961980.db2.gz UHKUXUKDRIWKLV-CQSZACIVSA-N 1 0 203.329 3.454 50 0 BGAARO CCCCC[NH2+][C@H]1CCc2ccccc21 ZINC000019901386 342961922 /nfs/dbraw/zinc/96/19/22/342961922.db2.gz UHKUXUKDRIWKLV-AWEZNQCLSA-N 1 0 203.329 3.454 50 0 BGAARO COc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000019903132 175330268 /nfs/dbraw/zinc/33/02/68/175330268.db2.gz MZSAJSIBNOUZAG-TZMCWYRMSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000019903133 175331062 /nfs/dbraw/zinc/33/10/62/175331062.db2.gz MZSAJSIBNOUZAG-OCCSQVGLSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000019903134 175330262 /nfs/dbraw/zinc/33/02/62/175330262.db2.gz MZSAJSIBNOUZAG-GXTWGEPZSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000019903135 175331063 /nfs/dbraw/zinc/33/10/63/175331063.db2.gz MZSAJSIBNOUZAG-JSGCOSHPSA-N 1 0 233.355 3.364 50 0 BGAARO COc1ccccc1C[NH2+]Cc1sccc1C ZINC000019903140 175330344 /nfs/dbraw/zinc/33/03/44/175330344.db2.gz ZZHRKVWQJJZYPA-UHFFFAOYSA-N 1 0 247.363 3.355 50 0 BGAARO COc1ccccc1C[NH2+]Cc1ccsc1 ZINC000019903142 175329724 /nfs/dbraw/zinc/32/97/24/175329724.db2.gz DFSBVDDBSIPCDN-UHFFFAOYSA-N 1 0 233.336 3.047 50 0 BGAARO CCC(CC)C[NH2+]Cc1ccccc1OC ZINC000019903143 168362204 /nfs/dbraw/zinc/36/22/04/168362204.db2.gz RJNBCLKKIXWYJV-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO Cc1cccc(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000019904014 179091589 /nfs/dbraw/zinc/09/15/89/179091589.db2.gz ZQUHBHQVVIJGHM-UHFFFAOYSA-N 1 0 243.325 3.466 50 0 BGAARO Cc1ccc(C[NH2+]CCc2ccc(F)cc2)o1 ZINC000019904036 342962373 /nfs/dbraw/zinc/96/23/73/342962373.db2.gz FEQWSXQSOFUHTC-UHFFFAOYSA-N 1 0 233.286 3.059 50 0 BGAARO CCC(CC)[NH2+]CCc1ccc(F)cc1 ZINC000019904081 168388530 /nfs/dbraw/zinc/38/85/30/168388530.db2.gz WPSQESKSNFTPSF-UHFFFAOYSA-N 1 0 209.308 3.146 50 0 BGAARO CC(C)[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000019904109 167382851 /nfs/dbraw/zinc/38/28/51/167382851.db2.gz HEJTWIKATBHDDX-LLVKDONJSA-N 1 0 209.308 3.002 50 0 BGAARO CC(C)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000019904110 384552107 /nfs/dbraw/zinc/55/21/07/384552107.db2.gz HEJTWIKATBHDDX-NSHDSACASA-N 1 0 209.308 3.002 50 0 BGAARO COC[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000019904345 384554409 /nfs/dbraw/zinc/55/44/09/384554409.db2.gz VYYDYGUERPVZEF-MRVPVSSYSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000019904347 342962392 /nfs/dbraw/zinc/96/23/92/342962392.db2.gz VYYDYGUERPVZEF-QMMMGPOBSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000019904433 384552472 /nfs/dbraw/zinc/55/24/72/384552472.db2.gz PBWGNEWJNHHICJ-MRVPVSSYSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000019904434 342962277 /nfs/dbraw/zinc/96/22/77/342962277.db2.gz PBWGNEWJNHHICJ-QMMMGPOBSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019904538 384552942 /nfs/dbraw/zinc/55/29/42/384552942.db2.gz BFDTWUQVQYIXRJ-ZJUUUORDSA-N 1 0 227.735 3.026 50 0 BGAARO COC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019904539 342962579 /nfs/dbraw/zinc/96/25/79/342962579.db2.gz BFDTWUQVQYIXRJ-UWVGGRQHSA-N 1 0 227.735 3.026 50 0 BGAARO COC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019904540 384554041 /nfs/dbraw/zinc/55/40/41/384554041.db2.gz BFDTWUQVQYIXRJ-NXEZZACHSA-N 1 0 227.735 3.026 50 0 BGAARO COC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019904541 342962494 /nfs/dbraw/zinc/96/24/94/342962494.db2.gz BFDTWUQVQYIXRJ-VHSXEESVSA-N 1 0 227.735 3.026 50 0 BGAARO COC[C@@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000019905053 174457940 /nfs/dbraw/zinc/45/79/40/174457940.db2.gz XMTBLVAJPKCROF-MRVPVSSYSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000019905054 342962613 /nfs/dbraw/zinc/96/26/13/342962613.db2.gz XMTBLVAJPKCROF-QMMMGPOBSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000019905127 384557515 /nfs/dbraw/zinc/55/75/15/384557515.db2.gz LHQGTEXMCLZWDQ-MRVPVSSYSA-N 1 0 248.153 3.118 50 0 BGAARO COC[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000019905129 342962869 /nfs/dbraw/zinc/96/28/69/342962869.db2.gz LHQGTEXMCLZWDQ-QMMMGPOBSA-N 1 0 248.153 3.118 50 0 BGAARO CC(C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906693 167010256 /nfs/dbraw/zinc/01/02/56/167010256.db2.gz MAHUWDZYTSQJKA-UHFFFAOYSA-N 1 0 231.261 3.451 50 0 BGAARO CCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000019906972 384556504 /nfs/dbraw/zinc/55/65/04/384556504.db2.gz UAMOKRWVZZOHCO-NSHDSACASA-N 1 0 207.317 3.146 50 0 BGAARO CCCC[NH2+][C@H](C)c1ccccc1OC ZINC000019906973 384557440 /nfs/dbraw/zinc/55/74/40/384557440.db2.gz UAMOKRWVZZOHCO-LLVKDONJSA-N 1 0 207.317 3.146 50 0 BGAARO CCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019907013 384557246 /nfs/dbraw/zinc/55/72/46/384557246.db2.gz HPFOHRCOMCBEIX-NSHDSACASA-N 1 0 207.317 3.146 50 0 BGAARO CCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019907014 384555764 /nfs/dbraw/zinc/55/57/64/384555764.db2.gz HPFOHRCOMCBEIX-LLVKDONJSA-N 1 0 207.317 3.146 50 0 BGAARO CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019907075 384557595 /nfs/dbraw/zinc/55/75/95/384557595.db2.gz YNUCXPBDNRGUIN-VIFPVBQESA-N 1 0 213.271 3.416 50 0 BGAARO CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019907076 168876433 /nfs/dbraw/zinc/87/64/33/168876433.db2.gz YNUCXPBDNRGUIN-SECBINFHSA-N 1 0 213.271 3.416 50 0 BGAARO CCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019907077 384555515 /nfs/dbraw/zinc/55/55/15/384555515.db2.gz CNJBHFSWLYVHRT-VIFPVBQESA-N 1 0 213.271 3.416 50 0 BGAARO CCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019907078 384557073 /nfs/dbraw/zinc/55/70/73/384557073.db2.gz CNJBHFSWLYVHRT-SECBINFHSA-N 1 0 213.271 3.416 50 0 BGAARO CCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019907100 384556479 /nfs/dbraw/zinc/55/64/79/384556479.db2.gz SRRNPWUGSUEMHP-VIFPVBQESA-N 1 0 213.271 3.416 50 0 BGAARO CCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019907101 384555295 /nfs/dbraw/zinc/55/52/95/384555295.db2.gz SRRNPWUGSUEMHP-SECBINFHSA-N 1 0 213.271 3.416 50 0 BGAARO CCCC[NH2+]Cc1ccc(Br)s1 ZINC000019907135 384555843 /nfs/dbraw/zinc/55/58/43/384555843.db2.gz CYTKFHCDKVMRKR-UHFFFAOYSA-N 1 0 248.189 3.400 50 0 BGAARO CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000019907170 384556114 /nfs/dbraw/zinc/55/61/14/384556114.db2.gz WTCQMJQWFBQPQC-CQSZACIVSA-N 1 0 203.329 3.454 50 0 BGAARO CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000019907171 384555268 /nfs/dbraw/zinc/55/52/68/384555268.db2.gz WTCQMJQWFBQPQC-AWEZNQCLSA-N 1 0 203.329 3.454 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000019908257 167383549 /nfs/dbraw/zinc/38/35/49/167383549.db2.gz FERDWPKMEPWCTA-SNVBAGLBSA-N 1 0 211.736 3.474 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000019908258 342962845 /nfs/dbraw/zinc/96/28/45/342962845.db2.gz FERDWPKMEPWCTA-JTQLQIEISA-N 1 0 211.736 3.474 50 0 BGAARO CN(C)c1ccc(C(=[NH2+])Nc2ccccc2)cc1 ZINC000019908543 368373429 /nfs/dbraw/zinc/37/34/29/368373429.db2.gz HXXPRFMRDGXWHI-UHFFFAOYSA-N 1 0 239.322 3.190 50 0 BGAARO [NH3+]CCc1cccc2c3ccccc3oc21 ZINC000019908926 385360095 /nfs/dbraw/zinc/36/00/95/385360095.db2.gz PNGDNQYICYMAJK-UHFFFAOYSA-N 1 0 211.264 3.087 50 0 BGAARO Cc1ccc(C[NH2+]CCC(C)C)c(C)c1 ZINC000019911811 342962925 /nfs/dbraw/zinc/96/29/25/342962925.db2.gz XMZDAEATWRVKEB-UHFFFAOYSA-N 1 0 205.345 3.439 50 0 BGAARO CC(C)CC[NH2+]Cc1ccc(F)cc1F ZINC000019911825 384557195 /nfs/dbraw/zinc/55/71/95/384557195.db2.gz ZJPZRODAGBKRNP-UHFFFAOYSA-N 1 0 213.271 3.101 50 0 BGAARO CC(C)CC[NH2+]Cc1c(F)cccc1F ZINC000019911835 384556744 /nfs/dbraw/zinc/55/67/44/384556744.db2.gz HSXQJQBGDJGLPP-UHFFFAOYSA-N 1 0 213.271 3.101 50 0 BGAARO CC(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019911836 166861859 /nfs/dbraw/zinc/86/18/59/166861859.db2.gz XCWIWMAWFUGUSX-UHFFFAOYSA-N 1 0 213.271 3.101 50 0 BGAARO CC(C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC000019911999 384555398 /nfs/dbraw/zinc/55/53/98/384555398.db2.gz FQZXVGBLPRLFBS-CQSZACIVSA-N 1 0 203.329 3.310 50 0 BGAARO CC(C)CC[NH2+][C@H]1CCc2ccccc21 ZINC000019912000 384555617 /nfs/dbraw/zinc/55/56/17/384555617.db2.gz FQZXVGBLPRLFBS-AWEZNQCLSA-N 1 0 203.329 3.310 50 0 BGAARO Cc1cccc(C[NH2+]CCc2ccccc2F)c1 ZINC000019912602 179092189 /nfs/dbraw/zinc/09/21/89/179092189.db2.gz IIZVRKWVDNGVPR-UHFFFAOYSA-N 1 0 243.325 3.466 50 0 BGAARO Fc1ccccc1CC[NH2+]Cc1cccs1 ZINC000019912631 181011097 /nfs/dbraw/zinc/01/10/97/181011097.db2.gz RPADLBJNDXXBPB-UHFFFAOYSA-N 1 0 235.327 3.220 50 0 BGAARO Cc1ccc(C[NH2+]CCc2ccccc2F)o1 ZINC000019912635 524578864 /nfs/dbraw/zinc/57/88/64/524578864.db2.gz TTXVNGTYPVRJPX-UHFFFAOYSA-N 1 0 233.286 3.059 50 0 BGAARO Fc1ccccc1CC[NH2+]Cc1ccsc1 ZINC000019912639 181011242 /nfs/dbraw/zinc/01/12/42/181011242.db2.gz XXGOEVWGPLCSGB-UHFFFAOYSA-N 1 0 235.327 3.220 50 0 BGAARO CCC(CC)[NH2+]CCc1ccccc1F ZINC000019912703 168388488 /nfs/dbraw/zinc/38/84/88/168388488.db2.gz QLDWLEXNIVRIAF-UHFFFAOYSA-N 1 0 209.308 3.146 50 0 BGAARO CC(C)[C@@H](C)[NH2+]CCc1ccccc1F ZINC000019912735 167382059 /nfs/dbraw/zinc/38/20/59/167382059.db2.gz DNDZKNOEMDDOQY-LLVKDONJSA-N 1 0 209.308 3.002 50 0 BGAARO CC(C)[C@H](C)[NH2+]CCc1ccccc1F ZINC000019912737 187762274 /nfs/dbraw/zinc/76/22/74/187762274.db2.gz DNDZKNOEMDDOQY-NSHDSACASA-N 1 0 209.308 3.002 50 0 BGAARO Fc1ccccc1CC[NH2+]C1CCCCC1 ZINC000019912820 181011431 /nfs/dbraw/zinc/01/14/31/181011431.db2.gz KHHVLBXAFAOGOD-UHFFFAOYSA-N 1 0 221.319 3.291 50 0 BGAARO CCC[C@@H](C)[NH2+]CCc1ccccc1F ZINC000019912821 169369601 /nfs/dbraw/zinc/36/96/01/169369601.db2.gz ILXHPNWAFUNSRC-LLVKDONJSA-N 1 0 209.308 3.146 50 0 BGAARO CCC[C@H](C)[NH2+]CCc1ccccc1F ZINC000019912822 169493550 /nfs/dbraw/zinc/49/35/50/169493550.db2.gz ILXHPNWAFUNSRC-NSHDSACASA-N 1 0 209.308 3.146 50 0 BGAARO CC1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000019918014 168164773 /nfs/dbraw/zinc/16/47/73/168164773.db2.gz UUWQXAZESYGEGD-UHFFFAOYSA-N 1 0 219.328 3.061 50 0 BGAARO CCc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000019919045 384558935 /nfs/dbraw/zinc/55/89/35/384558935.db2.gz QTGAPDKWXVHFIL-UWTIGNOOSA-N 1 0 247.382 3.203 50 0 BGAARO CCc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000019919047 171838570 /nfs/dbraw/zinc/83/85/70/171838570.db2.gz QTGAPDKWXVHFIL-JQRITLKVSA-N 1 0 247.382 3.203 50 0 BGAARO Cc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000019919733 179092194 /nfs/dbraw/zinc/09/21/94/179092194.db2.gz PJDVOKWGNAAUEN-UHFFFAOYSA-N 1 0 225.335 3.327 50 0 BGAARO CC(C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000019919814 187253272 /nfs/dbraw/zinc/25/32/72/187253272.db2.gz MGUKHXYAZBXCCG-CYBMUJFWSA-N 1 0 205.345 3.253 50 0 BGAARO CC(C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000019919816 384560962 /nfs/dbraw/zinc/56/09/62/384560962.db2.gz MGUKHXYAZBXCCG-ZDUSSCGKSA-N 1 0 205.345 3.253 50 0 BGAARO Cc1ccc2c(c1)c1c3n2C[NH+]=C[C@@H]3CCC1 ZINC000019925155 342963424 /nfs/dbraw/zinc/96/34/24/342963424.db2.gz OKHUCKVYDZYASW-NSHDSACASA-N 1 0 224.307 3.412 50 0 BGAARO Cc1ccc2c(c1)c1c3n2C[NH+]=C[C@H]3CCC1 ZINC000019925157 342963623 /nfs/dbraw/zinc/96/36/23/342963623.db2.gz OKHUCKVYDZYASW-LLVKDONJSA-N 1 0 224.307 3.412 50 0 BGAARO Fc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000019943406 342963925 /nfs/dbraw/zinc/96/39/25/342963925.db2.gz DWGVNAFDKNWLHY-UHFFFAOYSA-N 1 0 233.261 3.255 50 0 BGAARO Cc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000019943416 179094296 /nfs/dbraw/zinc/09/42/96/179094296.db2.gz VHTPQSRQYHCHMT-UHFFFAOYSA-N 1 0 229.298 3.424 50 0 BGAARO Cc1ccc(C[NH2+]Cc2ccc(F)cc2)o1 ZINC000019943479 342963949 /nfs/dbraw/zinc/96/39/49/342963949.db2.gz GOQDJOCDKBSLJK-UHFFFAOYSA-N 1 0 219.259 3.017 50 0 BGAARO CCC(CC)C[NH2+]Cc1ccc(F)cc1 ZINC000019943489 168362358 /nfs/dbraw/zinc/36/23/58/168362358.db2.gz YZMGZEXZVFWSPY-UHFFFAOYSA-N 1 0 209.308 3.352 50 0 BGAARO CC(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000019943612 342963940 /nfs/dbraw/zinc/96/39/40/342963940.db2.gz MBGVEXVDSCLCNG-LLVKDONJSA-N 1 0 209.308 3.350 50 0 BGAARO CC(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000019943615 205461926 /nfs/dbraw/zinc/46/19/26/205461926.db2.gz MBGVEXVDSCLCNG-NSHDSACASA-N 1 0 209.308 3.350 50 0 BGAARO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)o1 ZINC000019945082 342963970 /nfs/dbraw/zinc/96/39/70/342963970.db2.gz ROUDUMISIVCWFZ-MFKMUULPSA-N 1 0 207.317 3.256 50 0 BGAARO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)o1 ZINC000019945085 342963941 /nfs/dbraw/zinc/96/39/41/342963941.db2.gz ROUDUMISIVCWFZ-GWCFXTLKSA-N 1 0 207.317 3.256 50 0 BGAARO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)o1 ZINC000019945088 342963944 /nfs/dbraw/zinc/96/39/44/342963944.db2.gz ROUDUMISIVCWFZ-ZWNOBZJWSA-N 1 0 207.317 3.256 50 0 BGAARO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)o1 ZINC000019945092 342964010 /nfs/dbraw/zinc/96/40/10/342964010.db2.gz ROUDUMISIVCWFZ-GXFFZTMASA-N 1 0 207.317 3.256 50 0 BGAARO CC1CCC([NH2+]CCc2cccs2)CC1 ZINC000019948503 168162324 /nfs/dbraw/zinc/16/23/24/168162324.db2.gz NNLSPPSADNGJGR-UHFFFAOYSA-N 1 0 223.385 3.459 50 0 BGAARO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000019948550 176080661 /nfs/dbraw/zinc/08/06/61/176080661.db2.gz LQDAGAULZLGPPH-YPMHNXCESA-N 1 0 223.385 3.459 50 0 BGAARO C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000019948553 177083060 /nfs/dbraw/zinc/08/30/60/177083060.db2.gz LQDAGAULZLGPPH-AAEUAGOBSA-N 1 0 223.385 3.459 50 0 BGAARO C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000019948558 176088117 /nfs/dbraw/zinc/08/81/17/176088117.db2.gz LQDAGAULZLGPPH-DGCLKSJQSA-N 1 0 223.385 3.459 50 0 BGAARO C[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000019948562 177088946 /nfs/dbraw/zinc/08/89/46/177088946.db2.gz LQDAGAULZLGPPH-WCQYABFASA-N 1 0 223.385 3.459 50 0 BGAARO CCC(CC)C[NH2+]CCc1cccs1 ZINC000019948632 168360610 /nfs/dbraw/zinc/36/06/10/168360610.db2.gz QMRPKBKEEWZQSX-UHFFFAOYSA-N 1 0 211.374 3.316 50 0 BGAARO c1csc(CC[NH2+]CC2CCCCC2)c1 ZINC000019948636 183515326 /nfs/dbraw/zinc/51/53/26/183515326.db2.gz RZTJWWCDVQQPLH-UHFFFAOYSA-N 1 0 223.385 3.461 50 0 BGAARO CC(C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC000019948802 342964280 /nfs/dbraw/zinc/96/42/80/342964280.db2.gz VYRQBWNQEONEDS-LLVKDONJSA-N 1 0 211.374 3.315 50 0 BGAARO CC(C)C[C@H](C)[NH2+]CCc1cccs1 ZINC000019948806 384558632 /nfs/dbraw/zinc/55/86/32/384558632.db2.gz VYRQBWNQEONEDS-NSHDSACASA-N 1 0 211.374 3.315 50 0 BGAARO c1csc(CC[NH2+]Cc2ccccc2)c1 ZINC000019949413 384564050 /nfs/dbraw/zinc/56/40/50/384564050.db2.gz ZUKYCKLPHLVNFA-UHFFFAOYSA-N 1 0 217.337 3.080 50 0 BGAARO Fc1cccc(C[NH2+]Cc2ccccc2F)c1 ZINC000019949631 342964231 /nfs/dbraw/zinc/96/42/31/342964231.db2.gz HKZQEJLDGYQUKN-UHFFFAOYSA-N 1 0 233.261 3.255 50 0 BGAARO Cc1ccccc1C[NH2+]Cc1ccccc1F ZINC000019949640 179283137 /nfs/dbraw/zinc/28/31/37/179283137.db2.gz JGGDVOFNYBOHCB-UHFFFAOYSA-N 1 0 229.298 3.424 50 0 BGAARO CCC(CC)C[NH2+]Cc1ccccc1F ZINC000019949728 168361811 /nfs/dbraw/zinc/36/18/11/168361811.db2.gz JJHGMSUABRBIMS-UHFFFAOYSA-N 1 0 209.308 3.352 50 0 BGAARO CC(C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC000019949913 342964206 /nfs/dbraw/zinc/96/42/06/342964206.db2.gz BDKFEJPQOJTDHQ-LLVKDONJSA-N 1 0 209.308 3.350 50 0 BGAARO CC(C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC000019949918 397962232 /nfs/dbraw/zinc/96/22/32/397962232.db2.gz BDKFEJPQOJTDHQ-NSHDSACASA-N 1 0 209.308 3.350 50 0 BGAARO CCOCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019963099 170381107 /nfs/dbraw/zinc/38/11/07/170381107.db2.gz ISNDFFGDSWRRIF-NSHDSACASA-N 1 0 227.373 3.134 50 0 BGAARO CCOCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000019963100 170383322 /nfs/dbraw/zinc/38/33/22/170383322.db2.gz ISNDFFGDSWRRIF-LLVKDONJSA-N 1 0 227.373 3.134 50 0 BGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccco2)[C@@H]1C ZINC000019963177 176123221 /nfs/dbraw/zinc/12/32/21/176123221.db2.gz GWSWIBYDUGAKRG-NQBHXWOUSA-N 1 0 207.317 3.194 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccco2)[C@@H]1C ZINC000019963179 176144660 /nfs/dbraw/zinc/14/46/60/176144660.db2.gz GWSWIBYDUGAKRG-WZRBSPASSA-N 1 0 207.317 3.194 50 0 BGAARO CCc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000019968545 384567016 /nfs/dbraw/zinc/56/70/16/384567016.db2.gz MKJZPYRRQQJARV-OAHLLOKOSA-N 1 0 229.298 3.436 50 0 BGAARO CCc1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000019968546 384566941 /nfs/dbraw/zinc/56/69/41/384566941.db2.gz MKJZPYRRQQJARV-HNNXBMFYSA-N 1 0 229.298 3.436 50 0 BGAARO CC(C)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968788 384565402 /nfs/dbraw/zinc/56/54/02/384565402.db2.gz CXPBPAWRMVONLK-SNVBAGLBSA-N 1 0 217.234 3.361 50 0 BGAARO CC(C)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968789 188282178 /nfs/dbraw/zinc/28/21/78/188282178.db2.gz CXPBPAWRMVONLK-JTQLQIEISA-N 1 0 217.234 3.361 50 0 BGAARO [NH3+][C@H](c1ccc(F)cc1F)C1CCCC1 ZINC000019968904 342965542 /nfs/dbraw/zinc/96/55/42/342965542.db2.gz STRHHDZYNRAYGG-LBPRGKRZSA-N 1 0 211.255 3.155 50 0 BGAARO [NH3+][C@@H](c1ccc(F)cc1F)C1CCCC1 ZINC000019968905 342965746 /nfs/dbraw/zinc/96/57/46/342965746.db2.gz STRHHDZYNRAYGG-GFCCVEGCSA-N 1 0 211.255 3.155 50 0 BGAARO CC(C)(C)C[C@@H]([NH3+])c1ccc(F)cc1F ZINC000019968976 342965698 /nfs/dbraw/zinc/96/56/98/342965698.db2.gz QNMFBAMMSZTCIB-LLVKDONJSA-N 1 0 213.271 3.401 50 0 BGAARO CC(C)(C)C[C@H]([NH3+])c1ccc(F)cc1F ZINC000019968977 166602299 /nfs/dbraw/zinc/60/22/99/166602299.db2.gz QNMFBAMMSZTCIB-NSHDSACASA-N 1 0 213.271 3.401 50 0 BGAARO Cn1c(-c2ccccc2)c[n+]2cc(Cl)ccc12 ZINC000020031128 342966601 /nfs/dbraw/zinc/96/66/01/342966601.db2.gz NNVYWUHCWGIGDQ-UHFFFAOYSA-N 1 0 243.717 3.084 50 0 BGAARO Cn1c(-c2ccc(Cl)cc2)c[n+]2ccccc12 ZINC000020031132 342966798 /nfs/dbraw/zinc/96/67/98/342966798.db2.gz XGXLLYXUILLBRM-UHFFFAOYSA-N 1 0 243.717 3.084 50 0 BGAARO c1ccc(CCC[NH2+]C2CCCC2)cc1 ZINC000020037018 183390967 /nfs/dbraw/zinc/39/09/67/183390967.db2.gz UJFHJCZTBGVEKK-UHFFFAOYSA-N 1 0 203.329 3.151 50 0 BGAARO Cc1ccc2c(c1)c1c3n2C=C[NH2+][C@@H]3CCC1 ZINC000020037765 342967132 /nfs/dbraw/zinc/96/71/32/342967132.db2.gz SLCNLOYYJWQPGC-CYBMUJFWSA-N 1 0 224.307 3.359 50 0 BGAARO Cc1ccc2c(c1)c1c3n2C=C[NH2+][C@H]3CCC1 ZINC000020037769 342966989 /nfs/dbraw/zinc/96/69/89/342966989.db2.gz SLCNLOYYJWQPGC-ZDUSSCGKSA-N 1 0 224.307 3.359 50 0 BGAARO CC[NH+](CC)CCNc1cccc(C)c1C ZINC000020055842 342967649 /nfs/dbraw/zinc/96/76/49/342967649.db2.gz VGYTWFHHFGGHPC-UHFFFAOYSA-N 1 0 220.360 3.057 50 0 BGAARO [NH3+]Cc1ccccc1N1CCCc2ccccc21 ZINC000020075589 132329305 /nfs/dbraw/zinc/32/93/05/132329305.db2.gz JHPDJFSKZLCZMS-UHFFFAOYSA-N 1 0 238.334 3.230 50 0 BGAARO CCN(c1ccccc1C[NH3+])C1CCCCC1 ZINC000020075632 342967783 /nfs/dbraw/zinc/96/77/83/342967783.db2.gz BZSMVCLROJQTER-UHFFFAOYSA-N 1 0 232.371 3.304 50 0 BGAARO Cc1cccc(Oc2ccccc2C[NH3+])c1 ZINC000020076304 342967999 /nfs/dbraw/zinc/96/79/99/342967999.db2.gz HGRXINMVJYZEHZ-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000020078280 384575000 /nfs/dbraw/zinc/57/50/00/384575000.db2.gz KJCYUMYTMJPEAH-SSDOTTSWSA-N 1 0 213.683 3.292 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000020078281 384573212 /nfs/dbraw/zinc/57/32/12/384573212.db2.gz KJCYUMYTMJPEAH-ZETCQYMHSA-N 1 0 213.683 3.292 50 0 BGAARO CC(C)(C)[NH2+]Cc1cc2ccccc2o1 ZINC000020084162 342968338 /nfs/dbraw/zinc/96/83/38/342968338.db2.gz ILMBVNYMJXETNT-UHFFFAOYSA-N 1 0 203.285 3.321 50 0 BGAARO CCCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000020084170 169318277 /nfs/dbraw/zinc/31/82/77/169318277.db2.gz OAYSVIFBIDRJOX-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000020085644 342968501 /nfs/dbraw/zinc/96/85/01/342968501.db2.gz NTCKZCGEOQVAIZ-SNVBAGLBSA-N 1 0 203.285 3.321 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000020085645 171343333 /nfs/dbraw/zinc/34/33/33/171343333.db2.gz NTCKZCGEOQVAIZ-JTQLQIEISA-N 1 0 203.285 3.321 50 0 BGAARO CCCOc1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000020085650 169318377 /nfs/dbraw/zinc/31/83/77/169318377.db2.gz PCSHKHMIBHVRCF-LBPRGKRZSA-N 1 0 221.344 3.364 50 0 BGAARO CCCOc1ccc(C[NH2+][C@H](C)CC)cc1 ZINC000020085651 169318628 /nfs/dbraw/zinc/31/86/28/169318628.db2.gz PCSHKHMIBHVRCF-GFCCVEGCSA-N 1 0 221.344 3.364 50 0 BGAARO CCCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000020085818 169318761 /nfs/dbraw/zinc/31/87/61/169318761.db2.gz QXOPPLGLWGZXAT-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO c1c2ccccc2oc1C[NH2+]C1CCCC1 ZINC000020085918 384575409 /nfs/dbraw/zinc/57/54/09/384575409.db2.gz INZATFLOOKNDKK-UHFFFAOYSA-N 1 0 215.296 3.465 50 0 BGAARO CC[C@@H](C)C[NH2+]CCc1ccc(F)cc1 ZINC000020087380 342968881 /nfs/dbraw/zinc/96/88/81/342968881.db2.gz LWYOHYCLUFDUMF-LLVKDONJSA-N 1 0 209.308 3.004 50 0 BGAARO CC[C@H](C)C[NH2+]CCc1ccc(F)cc1 ZINC000020087382 171285203 /nfs/dbraw/zinc/28/52/03/171285203.db2.gz LWYOHYCLUFDUMF-NSHDSACASA-N 1 0 209.308 3.004 50 0 BGAARO CC[C@@H](C)C[NH2+]CCc1ccccc1F ZINC000020088789 342968818 /nfs/dbraw/zinc/96/88/18/342968818.db2.gz QQMSGJKJFDHVQY-LLVKDONJSA-N 1 0 209.308 3.004 50 0 BGAARO CC[C@H](C)C[NH2+]CCc1ccccc1F ZINC000020088791 171284763 /nfs/dbraw/zinc/28/47/63/171284763.db2.gz QQMSGJKJFDHVQY-NSHDSACASA-N 1 0 209.308 3.004 50 0 BGAARO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020089854 342968910 /nfs/dbraw/zinc/96/89/10/342968910.db2.gz JKCQWOIIBNUNIJ-CHWSQXEVSA-N 1 0 205.345 3.253 50 0 BGAARO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020089856 171364559 /nfs/dbraw/zinc/36/45/59/171364559.db2.gz JKCQWOIIBNUNIJ-QWHCGFSZSA-N 1 0 205.345 3.253 50 0 BGAARO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020089858 342968702 /nfs/dbraw/zinc/96/87/02/342968702.db2.gz JKCQWOIIBNUNIJ-OLZOCXBDSA-N 1 0 205.345 3.253 50 0 BGAARO CC[C@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020089860 171388498 /nfs/dbraw/zinc/38/84/98/171388498.db2.gz JKCQWOIIBNUNIJ-STQMWFEESA-N 1 0 205.345 3.253 50 0 BGAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020090640 170773845 /nfs/dbraw/zinc/77/38/45/170773845.db2.gz OLUCSDVZWAKPCK-GHMZBOCLSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020090642 171365147 /nfs/dbraw/zinc/36/51/47/171365147.db2.gz OLUCSDVZWAKPCK-WDEREUQCSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020090644 342968757 /nfs/dbraw/zinc/96/87/57/342968757.db2.gz OLUCSDVZWAKPCK-MNOVXSKESA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020090646 171389311 /nfs/dbraw/zinc/38/93/11/171389311.db2.gz OLUCSDVZWAKPCK-QWRGUYRKSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC000020091215 342968795 /nfs/dbraw/zinc/96/87/95/342968795.db2.gz JMGVIOOYVWLASC-GHMZBOCLSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC000020091217 171365215 /nfs/dbraw/zinc/36/52/15/171365215.db2.gz JMGVIOOYVWLASC-WDEREUQCSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1F ZINC000020091219 170790895 /nfs/dbraw/zinc/79/08/95/170790895.db2.gz JMGVIOOYVWLASC-MNOVXSKESA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1F ZINC000020091221 171389650 /nfs/dbraw/zinc/38/96/50/171389650.db2.gz JMGVIOOYVWLASC-QWRGUYRKSA-N 1 0 209.308 3.350 50 0 BGAARO c1[nH]c2ccccc2c1CC[NH2+]C1CCCC1 ZINC000020122473 384579112 /nfs/dbraw/zinc/57/91/12/384579112.db2.gz NCWRXLLABANDBN-UHFFFAOYSA-N 1 0 228.339 3.243 50 0 BGAARO Clc1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000020122536 180578703 /nfs/dbraw/zinc/57/87/03/180578703.db2.gz QVUPMKKGIZJTSY-UHFFFAOYSA-N 1 0 223.747 3.415 50 0 BGAARO CC(C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000020122542 167004689 /nfs/dbraw/zinc/00/46/89/167004689.db2.gz AZNJVCKJAQAURR-UHFFFAOYSA-N 1 0 211.736 3.128 50 0 BGAARO CC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000020122583 342969687 /nfs/dbraw/zinc/96/96/87/342969687.db2.gz OYDZMIZEVWUWRQ-SNVBAGLBSA-N 1 0 211.736 3.271 50 0 BGAARO CC[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000020122584 171340831 /nfs/dbraw/zinc/34/08/31/171340831.db2.gz OYDZMIZEVWUWRQ-JTQLQIEISA-N 1 0 211.736 3.271 50 0 BGAARO Cc1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000020122598 342969651 /nfs/dbraw/zinc/96/96/51/342969651.db2.gz POXOXKKIGABDRU-UHFFFAOYSA-N 1 0 207.317 3.400 50 0 BGAARO CC(C)[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000020122732 167381165 /nfs/dbraw/zinc/38/11/65/167381165.db2.gz REGMWWMIOJCHFL-CYBMUJFWSA-N 1 0 205.345 3.253 50 0 BGAARO CC(C)[C@H](C)[NH2+]CCCc1ccccc1 ZINC000020122733 187590677 /nfs/dbraw/zinc/59/06/77/187590677.db2.gz REGMWWMIOJCHFL-ZDUSSCGKSA-N 1 0 205.345 3.253 50 0 BGAARO CC1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000020124340 168164623 /nfs/dbraw/zinc/16/46/23/168164623.db2.gz ZAYVYJHJSHURLD-UHFFFAOYSA-N 1 0 247.338 3.084 50 0 BGAARO Cc1cc(C)c(C[NH2+]CC(C)(C)N(C)C)c(C)c1 ZINC000020125681 384581828 /nfs/dbraw/zinc/58/18/28/384581828.db2.gz WYPIMSPCHHOLOP-UHFFFAOYSA-N 1 0 248.414 3.042 50 0 BGAARO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000020126120 179321530 /nfs/dbraw/zinc/32/15/30/179321530.db2.gz COMUDTCGZPIBKH-VXGBXAGGSA-N 1 0 221.369 3.151 50 0 BGAARO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000020126121 179338701 /nfs/dbraw/zinc/33/87/01/179338701.db2.gz COMUDTCGZPIBKH-NWDGAFQWSA-N 1 0 221.369 3.151 50 0 BGAARO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000020126122 179323440 /nfs/dbraw/zinc/32/34/40/179323440.db2.gz COMUDTCGZPIBKH-NEPJUHHUSA-N 1 0 221.369 3.151 50 0 BGAARO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCSC1 ZINC000020126123 179340943 /nfs/dbraw/zinc/34/09/43/179340943.db2.gz COMUDTCGZPIBKH-RYUDHWBXSA-N 1 0 221.369 3.151 50 0 BGAARO Cc1ccccc1C[NH2+][C@H](C)c1cccnc1 ZINC000020127461 179284717 /nfs/dbraw/zinc/28/47/17/179284717.db2.gz YRPQQVCZJHIWHW-CYBMUJFWSA-N 1 0 226.323 3.241 50 0 BGAARO Cc1ccccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000020127462 179281921 /nfs/dbraw/zinc/28/19/21/179281921.db2.gz YRPQQVCZJHIWHW-ZDUSSCGKSA-N 1 0 226.323 3.241 50 0 BGAARO c1ccc2sc(CC[NH2+]C3CCCC3)nc2c1 ZINC000020128064 368373220 /nfs/dbraw/zinc/37/32/20/368373220.db2.gz FOWKMXMLLHNBFJ-UHFFFAOYSA-N 1 0 246.379 3.371 50 0 BGAARO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000020129820 167384173 /nfs/dbraw/zinc/38/41/73/167384173.db2.gz UQJVWUDPPYOKRL-BXUZGUMPSA-N 1 0 203.329 3.308 50 0 BGAARO CC(C)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000020129822 384583213 /nfs/dbraw/zinc/58/32/13/384583213.db2.gz UQJVWUDPPYOKRL-SMDDNHRTSA-N 1 0 203.329 3.308 50 0 BGAARO CC(C)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020129824 167385936 /nfs/dbraw/zinc/38/59/36/167385936.db2.gz UQJVWUDPPYOKRL-RISCZKNCSA-N 1 0 203.329 3.308 50 0 BGAARO CC(C)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020129825 342970957 /nfs/dbraw/zinc/97/09/57/342970957.db2.gz UQJVWUDPPYOKRL-FZMZJTMJSA-N 1 0 203.329 3.308 50 0 BGAARO Cc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000020133909 179096199 /nfs/dbraw/zinc/09/61/99/179096199.db2.gz NTHRFIULNRJBBA-UHFFFAOYSA-N 1 0 217.337 3.346 50 0 BGAARO C[C@@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000020137015 342971229 /nfs/dbraw/zinc/97/12/29/342971229.db2.gz FEDYAHVUXFURPV-LBPRGKRZSA-N 1 0 215.296 3.173 50 0 BGAARO C[C@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000020137018 342971476 /nfs/dbraw/zinc/97/14/76/342971476.db2.gz FEDYAHVUXFURPV-GFCCVEGCSA-N 1 0 215.296 3.173 50 0 BGAARO COCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020142181 174248998 /nfs/dbraw/zinc/24/89/98/174248998.db2.gz AYDTWUUWGLTJAT-QWHCGFSZSA-N 1 0 227.392 3.217 50 0 BGAARO COCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020142184 174251164 /nfs/dbraw/zinc/25/11/64/174251164.db2.gz AYDTWUUWGLTJAT-STQMWFEESA-N 1 0 227.392 3.217 50 0 BGAARO COCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000020142187 174249453 /nfs/dbraw/zinc/24/94/53/174249453.db2.gz AYDTWUUWGLTJAT-CHWSQXEVSA-N 1 0 227.392 3.217 50 0 BGAARO COCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000020142190 174251577 /nfs/dbraw/zinc/25/15/77/174251577.db2.gz AYDTWUUWGLTJAT-OLZOCXBDSA-N 1 0 227.392 3.217 50 0 BGAARO COCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020142831 174249413 /nfs/dbraw/zinc/24/94/13/174249413.db2.gz XXECCTNOQIMWIU-VIFPVBQESA-N 1 0 245.725 3.166 50 0 BGAARO COCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020142833 174249908 /nfs/dbraw/zinc/24/99/08/174249908.db2.gz XXECCTNOQIMWIU-SECBINFHSA-N 1 0 245.725 3.166 50 0 BGAARO [NH2+]=C1SCCCN1C1CCCCCCC1 ZINC000020160617 181207340 /nfs/dbraw/zinc/20/73/40/181207340.db2.gz MKZLSBHTERDNFF-UHFFFAOYSA-N 1 0 226.389 3.473 50 0 BGAARO [NH2+]=C1SCCN1C1CCCCCCC1 ZINC000020160618 181207333 /nfs/dbraw/zinc/20/73/33/181207333.db2.gz PIDLGXRAVDQCPS-UHFFFAOYSA-N 1 0 212.362 3.083 50 0 BGAARO CC[N@H+](Cc1ccccc1)Cc1ccccc1N ZINC000020191817 343277818 /nfs/dbraw/zinc/27/78/18/343277818.db2.gz CIADNOLBICEYME-UHFFFAOYSA-N 1 0 240.350 3.291 50 0 BGAARO CC[N@H+](Cc1ccccc1)Cc1cccc(N)c1 ZINC000020191842 356486544 /nfs/dbraw/zinc/48/65/44/356486544.db2.gz HDEQWPDLSGPVPT-UHFFFAOYSA-N 1 0 240.350 3.291 50 0 BGAARO CC[C@H](C[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000020203745 384598551 /nfs/dbraw/zinc/59/85/51/384598551.db2.gz FMFNOGVHKVXJCW-CQSZACIVSA-N 1 0 247.382 3.291 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020209760 167382706 /nfs/dbraw/zinc/38/27/06/167382706.db2.gz DWMCAFCUTOLLKO-SNVBAGLBSA-N 1 0 211.736 3.474 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020209763 342977075 /nfs/dbraw/zinc/97/70/75/342977075.db2.gz DWMCAFCUTOLLKO-JTQLQIEISA-N 1 0 211.736 3.474 50 0 BGAARO [NH3+][C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000020217065 181586006 /nfs/dbraw/zinc/58/60/06/181586006.db2.gz QKYSNOKOSXWELO-SNVBAGLBSA-N 1 0 220.703 3.157 50 0 BGAARO [NH3+][C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000020217066 342977669 /nfs/dbraw/zinc/97/76/69/342977669.db2.gz QKYSNOKOSXWELO-JTQLQIEISA-N 1 0 220.703 3.157 50 0 BGAARO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1C ZINC000020221483 342978172 /nfs/dbraw/zinc/97/81/72/342978172.db2.gz VFJWRGOAFHGRKG-AWEZNQCLSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1C ZINC000020221484 190981840 /nfs/dbraw/zinc/98/18/40/190981840.db2.gz VFJWRGOAFHGRKG-CQSZACIVSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1cc(C)cc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221485 342978145 /nfs/dbraw/zinc/97/81/45/342978145.db2.gz UEIWKERKEIOBCZ-AWEZNQCLSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1cc(C)cc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221486 342978045 /nfs/dbraw/zinc/97/80/45/342978045.db2.gz UEIWKERKEIOBCZ-CQSZACIVSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1ccc(C)c(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221489 384604109 /nfs/dbraw/zinc/60/41/09/384604109.db2.gz WPZMGVDEGZXGEZ-AWEZNQCLSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1ccc(C)c(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221490 384603979 /nfs/dbraw/zinc/60/39/79/384603979.db2.gz WPZMGVDEGZXGEZ-CQSZACIVSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1C ZINC000020221491 179169365 /nfs/dbraw/zinc/16/93/65/179169365.db2.gz YCCZDWJINGTBNO-AWEZNQCLSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1cccc(OCC[C@H]2CCCC[NH2+]2)c1C ZINC000020221492 179169464 /nfs/dbraw/zinc/16/94/64/179169464.db2.gz YCCZDWJINGTBNO-CQSZACIVSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000020221493 187762903 /nfs/dbraw/zinc/76/29/03/187762903.db2.gz APYNRTNASJQKFU-AWEZNQCLSA-N 1 0 233.355 3.214 50 0 BGAARO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000020221494 384603419 /nfs/dbraw/zinc/60/34/19/384603419.db2.gz APYNRTNASJQKFU-CQSZACIVSA-N 1 0 233.355 3.214 50 0 BGAARO CCc1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221495 384602650 /nfs/dbraw/zinc/60/26/50/384602650.db2.gz ZZIFMHGADKLBNR-AWEZNQCLSA-N 1 0 233.355 3.160 50 0 BGAARO CCc1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020221496 384603968 /nfs/dbraw/zinc/60/39/68/384603968.db2.gz ZZIFMHGADKLBNR-CQSZACIVSA-N 1 0 233.355 3.160 50 0 BGAARO CCc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221497 384603126 /nfs/dbraw/zinc/60/31/26/384603126.db2.gz AZKYHQIRHZQMCQ-AWEZNQCLSA-N 1 0 233.355 3.160 50 0 BGAARO CCc1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221498 384603314 /nfs/dbraw/zinc/60/33/14/384603314.db2.gz AZKYHQIRHZQMCQ-CQSZACIVSA-N 1 0 233.355 3.160 50 0 BGAARO CCc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221499 187762648 /nfs/dbraw/zinc/76/26/48/187762648.db2.gz FUYXEVRANDVKLM-AWEZNQCLSA-N 1 0 233.355 3.160 50 0 BGAARO CCc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221500 384602974 /nfs/dbraw/zinc/60/29/74/384602974.db2.gz FUYXEVRANDVKLM-CQSZACIVSA-N 1 0 233.355 3.160 50 0 BGAARO Clc1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221503 342978159 /nfs/dbraw/zinc/97/81/59/342978159.db2.gz QPQYUNUVVWYMTL-NSHDSACASA-N 1 0 239.746 3.251 50 0 BGAARO Clc1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020221504 342978005 /nfs/dbraw/zinc/97/80/05/342978005.db2.gz QPQYUNUVVWYMTL-LLVKDONJSA-N 1 0 239.746 3.251 50 0 BGAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221505 180583372 /nfs/dbraw/zinc/58/33/72/180583372.db2.gz DBLQZQIZDVCOGE-LBPRGKRZSA-N 1 0 239.746 3.251 50 0 BGAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221506 180584010 /nfs/dbraw/zinc/58/40/10/180584010.db2.gz DBLQZQIZDVCOGE-GFCCVEGCSA-N 1 0 239.746 3.251 50 0 BGAARO CCCc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000020221645 342978086 /nfs/dbraw/zinc/97/80/86/342978086.db2.gz DLQPJPKQAVFJCL-CQSZACIVSA-N 1 0 233.355 3.018 50 0 BGAARO CCCc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000020221646 342977969 /nfs/dbraw/zinc/97/79/69/342977969.db2.gz DLQPJPKQAVFJCL-AWEZNQCLSA-N 1 0 233.355 3.018 50 0 BGAARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000020221649 178211992 /nfs/dbraw/zinc/21/19/92/178211992.db2.gz TYGBILYJMCFRMG-LLVKDONJSA-N 1 0 239.746 3.027 50 0 BGAARO Cc1cc(OC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000020221650 178212356 /nfs/dbraw/zinc/21/23/56/178212356.db2.gz TYGBILYJMCFRMG-NSHDSACASA-N 1 0 239.746 3.027 50 0 BGAARO Cc1ccc(C(C)C)cc1OC[C@@H]1CCC[NH2+]C1 ZINC000020221651 384603221 /nfs/dbraw/zinc/60/32/21/384603221.db2.gz VALACUDBDWADGH-CQSZACIVSA-N 1 0 247.382 3.497 50 0 BGAARO Cc1ccc(C(C)C)cc1OC[C@H]1CCC[NH2+]C1 ZINC000020221652 178455155 /nfs/dbraw/zinc/45/51/55/178455155.db2.gz VALACUDBDWADGH-AWEZNQCLSA-N 1 0 247.382 3.497 50 0 BGAARO CCCc1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000020221679 342978177 /nfs/dbraw/zinc/97/81/77/342978177.db2.gz TXBCKESRWYXNLR-UHFFFAOYSA-N 1 0 233.355 3.018 50 0 BGAARO Cc1cc(OCC2CC[NH2+]CC2)ccc1Cl ZINC000020221681 178209283 /nfs/dbraw/zinc/20/92/83/178209283.db2.gz FLCNGOFCYTVQKN-UHFFFAOYSA-N 1 0 239.746 3.027 50 0 BGAARO Cc1ccc(C(C)C)cc1OCC1CC[NH2+]CC1 ZINC000020221682 178454713 /nfs/dbraw/zinc/45/47/13/178454713.db2.gz VFLWUTJMKVTCLR-UHFFFAOYSA-N 1 0 247.382 3.497 50 0 BGAARO FC(F)(F)c1ccc([C@@H]2[NH2+]CCS2)cc1 ZINC000020247118 384604034 /nfs/dbraw/zinc/60/40/34/384604034.db2.gz YWKHWMITZAALJR-SECBINFHSA-N 1 0 233.258 3.040 50 0 BGAARO FC(F)(F)c1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000020247121 384604153 /nfs/dbraw/zinc/60/41/53/384604153.db2.gz YWKHWMITZAALJR-VIFPVBQESA-N 1 0 233.258 3.040 50 0 BGAARO Cc1noc(C)c1C[NH2+]C1CCCCCC1 ZINC000020253166 384607016 /nfs/dbraw/zinc/60/70/16/384607016.db2.gz USIXUBFPYWQLIK-UHFFFAOYSA-N 1 0 222.332 3.104 50 0 BGAARO Cc1nc(C[NH2+]C2CCCCCC2)cs1 ZINC000020253167 347436810 /nfs/dbraw/zinc/43/68/10/347436810.db2.gz WWFNLFDUJBRFRA-UHFFFAOYSA-N 1 0 224.373 3.264 50 0 BGAARO Cc1noc(C)c1C[NH2+][C@H](C)c1cccs1 ZINC000020253363 384605929 /nfs/dbraw/zinc/60/59/29/384605929.db2.gz IBJJDFDJJJDWAQ-SECBINFHSA-N 1 0 236.340 3.204 50 0 BGAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccs1 ZINC000020253364 384605792 /nfs/dbraw/zinc/60/57/92/384605792.db2.gz IBJJDFDJJJDWAQ-VIFPVBQESA-N 1 0 236.340 3.204 50 0 BGAARO CC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020264946 384607180 /nfs/dbraw/zinc/60/71/80/384607180.db2.gz VBWRNUHVGFPJRG-SECBINFHSA-N 1 0 204.100 3.403 50 0 BGAARO CC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020264949 384607315 /nfs/dbraw/zinc/60/73/15/384607315.db2.gz VBWRNUHVGFPJRG-VIFPVBQESA-N 1 0 204.100 3.403 50 0 BGAARO C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1 ZINC000020268050 175775548 /nfs/dbraw/zinc/77/55/48/175775548.db2.gz PBBCYWGSIIIWGF-LBPRGKRZSA-N 1 0 231.364 3.469 50 0 BGAARO C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1 ZINC000020268052 342979669 /nfs/dbraw/zinc/97/96/69/342979669.db2.gz PBBCYWGSIIIWGF-GFCCVEGCSA-N 1 0 231.364 3.469 50 0 BGAARO c1csc(CC[NH2+]Cc2cccs2)c1 ZINC000020268387 342979422 /nfs/dbraw/zinc/97/94/22/342979422.db2.gz HYBVQPGCTVABLD-UHFFFAOYSA-N 1 0 223.366 3.142 50 0 BGAARO Cc1nc(-c2ccccc2Cl)sc1C[NH3+] ZINC000020273785 384610863 /nfs/dbraw/zinc/61/08/63/384610863.db2.gz JNTZWEYPAWLVLO-UHFFFAOYSA-N 1 0 238.743 3.231 50 0 BGAARO COc1cccc(CC[NH2+]Cc2ccccc2)c1 ZINC000020274165 175252732 /nfs/dbraw/zinc/25/27/32/175252732.db2.gz AWTRPQPHJUWYRC-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO c1ccc2nc(SC3CC[NH2+]CC3)ccc2c1 ZINC000020274742 183459889 /nfs/dbraw/zinc/45/98/89/183459889.db2.gz XPNISRDYUMCSKS-UHFFFAOYSA-N 1 0 244.363 3.079 50 0 BGAARO C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000020282129 384609163 /nfs/dbraw/zinc/60/91/63/384609163.db2.gz WKNOTDFRQWDMPQ-LURJTMIESA-N 1 0 204.100 3.274 50 0 BGAARO C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000020282133 384609345 /nfs/dbraw/zinc/60/93/45/384609345.db2.gz WKNOTDFRQWDMPQ-ZCFIWIBFSA-N 1 0 204.100 3.274 50 0 BGAARO [NH3+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000020284150 342980228 /nfs/dbraw/zinc/98/02/28/342980228.db2.gz JYZJYCJGHCCJLZ-HIFRSBDPSA-N 1 0 225.291 3.210 50 0 BGAARO [NH3+][C@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000020284153 342980244 /nfs/dbraw/zinc/98/02/44/342980244.db2.gz JYZJYCJGHCCJLZ-ZFWWWQNUSA-N 1 0 225.291 3.210 50 0 BGAARO [NH3+][C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000020284156 342980335 /nfs/dbraw/zinc/98/03/35/342980335.db2.gz JYZJYCJGHCCJLZ-UKRRQHHQSA-N 1 0 225.291 3.210 50 0 BGAARO [NH3+][C@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000020284160 342980294 /nfs/dbraw/zinc/98/02/94/342980294.db2.gz JYZJYCJGHCCJLZ-DZGCQCFKSA-N 1 0 225.291 3.210 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000020305353 167381989 /nfs/dbraw/zinc/38/19/89/167381989.db2.gz JAALTOFGODMTFI-SNVBAGLBSA-N 1 0 211.736 3.474 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000020305354 384614166 /nfs/dbraw/zinc/61/41/66/384614166.db2.gz JAALTOFGODMTFI-JTQLQIEISA-N 1 0 211.736 3.474 50 0 BGAARO CCc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305399 384614061 /nfs/dbraw/zinc/61/40/61/384614061.db2.gz LNCQJRHOTVVSDV-LBPRGKRZSA-N 1 0 205.345 3.383 50 0 BGAARO CCc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305400 171810600 /nfs/dbraw/zinc/81/06/00/171810600.db2.gz LNCQJRHOTVVSDV-GFCCVEGCSA-N 1 0 205.345 3.383 50 0 BGAARO Cc1ccc(C[NH2+][C@H](C)C(C)C)c(C)c1 ZINC000020305408 342981240 /nfs/dbraw/zinc/98/12/40/342981240.db2.gz RSGYUNRHFXZAIA-CYBMUJFWSA-N 1 0 205.345 3.438 50 0 BGAARO Cc1ccc(C[NH2+][C@@H](C)C(C)C)c(C)c1 ZINC000020305410 342981059 /nfs/dbraw/zinc/98/10/59/342981059.db2.gz RSGYUNRHFXZAIA-ZDUSSCGKSA-N 1 0 205.345 3.438 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000020305447 167382102 /nfs/dbraw/zinc/38/21/02/167382102.db2.gz YRCGUSTWMNNCOY-SECBINFHSA-N 1 0 213.271 3.099 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000020305449 384613486 /nfs/dbraw/zinc/61/34/86/384613486.db2.gz YRCGUSTWMNNCOY-VIFPVBQESA-N 1 0 213.271 3.099 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000020305465 167382003 /nfs/dbraw/zinc/38/20/03/167382003.db2.gz AQGQUROAJMWHFV-SECBINFHSA-N 1 0 213.271 3.099 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000020305467 384613011 /nfs/dbraw/zinc/61/30/11/384613011.db2.gz AQGQUROAJMWHFV-VIFPVBQESA-N 1 0 213.271 3.099 50 0 BGAARO Cc1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000020305549 179283167 /nfs/dbraw/zinc/28/31/67/179283167.db2.gz JJWCQOAYIPNKPL-UHFFFAOYSA-N 1 0 229.298 3.424 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000020305856 384613069 /nfs/dbraw/zinc/61/30/69/384613069.db2.gz PJCPDTWWWRCDCP-SSDOTTSWSA-N 1 0 248.189 3.399 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000020305858 171342044 /nfs/dbraw/zinc/34/20/44/171342044.db2.gz PJCPDTWWWRCDCP-ZETCQYMHSA-N 1 0 248.189 3.399 50 0 BGAARO CC(C)[NH2+]Cc1cc(Br)cs1 ZINC000020305873 167117636 /nfs/dbraw/zinc/11/76/36/167117636.db2.gz SDHQZFBOAYQCQQ-UHFFFAOYSA-N 1 0 234.162 3.009 50 0 BGAARO CCCC[NH2+]Cc1cc(Br)cs1 ZINC000020305958 384613639 /nfs/dbraw/zinc/61/36/39/384613639.db2.gz BKSHRLSKKQWXTG-UHFFFAOYSA-N 1 0 248.189 3.400 50 0 BGAARO CC(C)C[NH2+]Cc1cc(Br)cs1 ZINC000020306032 167007599 /nfs/dbraw/zinc/00/75/99/167007599.db2.gz VWVJHOTYYLZICK-UHFFFAOYSA-N 1 0 248.189 3.256 50 0 BGAARO CCC[NH2+]Cc1cc(Br)cs1 ZINC000020306050 169265486 /nfs/dbraw/zinc/26/54/86/169265486.db2.gz HQQLKVKBEKZCIA-UHFFFAOYSA-N 1 0 234.162 3.010 50 0 BGAARO [NH3+]CC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000020357679 181361234 /nfs/dbraw/zinc/36/12/34/181361234.db2.gz CDSBTFFGUUGLLM-UHFFFAOYSA-N 1 0 229.245 3.086 50 0 BGAARO CC(C)(C)c1ccc(OC(C)(C)C[NH3+])cc1 ZINC000020398614 342984561 /nfs/dbraw/zinc/98/45/61/342984561.db2.gz FFVNYDWSAMFNJP-UHFFFAOYSA-N 1 0 221.344 3.100 50 0 BGAARO CC(C)(C)c1cccc(OC2CC[NH2+]CC2)c1 ZINC000020399677 397964173 /nfs/dbraw/zinc/96/41/73/397964173.db2.gz OPKHOPKTHZRTBY-UHFFFAOYSA-N 1 0 233.355 3.115 50 0 BGAARO CCN1C(=[NH2+])SCCC12CCCCC2 ZINC000020423599 169946196 /nfs/dbraw/zinc/94/61/96/169946196.db2.gz FYGJNWZKUWPFOH-UHFFFAOYSA-N 1 0 212.362 3.083 50 0 BGAARO Cc1ccccc1C1(C[NH3+])CCCCC1 ZINC000020429491 179255053 /nfs/dbraw/zinc/25/50/53/179255053.db2.gz SUVBDFFIBRDKFZ-UHFFFAOYSA-N 1 0 203.329 3.156 50 0 BGAARO [NH3+]CC1(c2ccccc2)CCCCCC1 ZINC000020429497 181362458 /nfs/dbraw/zinc/36/24/58/181362458.db2.gz FGKBAXPKRRVDBI-UHFFFAOYSA-N 1 0 203.329 3.237 50 0 BGAARO [NH3+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000020429519 181362904 /nfs/dbraw/zinc/36/29/04/181362904.db2.gz XSJLABAERKORAA-UHFFFAOYSA-N 1 0 229.245 3.086 50 0 BGAARO CN(c1ccccc1)c1ccc(C[NH3+])cc1F ZINC000020469580 342986188 /nfs/dbraw/zinc/98/61/88/342986188.db2.gz VOLFHHYJZCNIRP-UHFFFAOYSA-N 1 0 230.286 3.052 50 0 BGAARO [NH3+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000020469940 387849320 /nfs/dbraw/zinc/84/93/20/387849320.db2.gz LZKNMFXFFHLNEE-UHFFFAOYSA-N 1 0 247.725 3.378 50 0 BGAARO [NH3+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000020470228 397965641 /nfs/dbraw/zinc/96/56/41/397965641.db2.gz GQQCRHROXAIZEI-UHFFFAOYSA-N 1 0 235.233 3.216 50 0 BGAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473280 170774077 /nfs/dbraw/zinc/77/40/77/170774077.db2.gz JLRCSAAYPYBGRE-GHMZBOCLSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473281 171365422 /nfs/dbraw/zinc/36/54/22/171365422.db2.gz JLRCSAAYPYBGRE-WDEREUQCSA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473282 170791592 /nfs/dbraw/zinc/79/15/92/170791592.db2.gz JLRCSAAYPYBGRE-MNOVXSKESA-N 1 0 209.308 3.350 50 0 BGAARO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473283 171389527 /nfs/dbraw/zinc/38/95/27/171389527.db2.gz JLRCSAAYPYBGRE-QWRGUYRKSA-N 1 0 209.308 3.350 50 0 BGAARO CC(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473423 187253617 /nfs/dbraw/zinc/25/36/17/187253617.db2.gz PSWQNKPPOIXANF-LLVKDONJSA-N 1 0 209.308 3.350 50 0 BGAARO CC(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473424 187419136 /nfs/dbraw/zinc/41/91/36/187419136.db2.gz PSWQNKPPOIXANF-NSHDSACASA-N 1 0 209.308 3.350 50 0 BGAARO CCC(CC)C[NH2+]Cc1cccc(F)c1 ZINC000020473447 168361201 /nfs/dbraw/zinc/36/12/01/168361201.db2.gz LRYUWPKYUQEMEF-UHFFFAOYSA-N 1 0 209.308 3.352 50 0 BGAARO CC(C)(C)[NH2+]Cc1cc(Br)cs1 ZINC000020475008 342986874 /nfs/dbraw/zinc/98/68/74/342986874.db2.gz UCMAMKDCGGZDGF-UHFFFAOYSA-N 1 0 248.189 3.399 50 0 BGAARO c1coc(C[NH2+]Cc2ccc3cc[nH]c3c2)c1 ZINC000020479700 187254008 /nfs/dbraw/zinc/25/40/08/187254008.db2.gz TWKWVRFDGGTNNP-UHFFFAOYSA-N 1 0 226.279 3.051 50 0 BGAARO CCN(Cc1ccccc1)c1ccccc1C[NH3+] ZINC000020486107 342987054 /nfs/dbraw/zinc/98/70/54/342987054.db2.gz UTHQJRLUVKOSMA-UHFFFAOYSA-N 1 0 240.350 3.172 50 0 BGAARO CC(C)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020522723 167383290 /nfs/dbraw/zinc/38/32/90/167383290.db2.gz QCMCJOFLKRPJBO-DGCLKSJQSA-N 1 0 219.328 3.144 50 0 BGAARO CC(C)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020522724 342989573 /nfs/dbraw/zinc/98/95/73/342989573.db2.gz QCMCJOFLKRPJBO-WCQYABFASA-N 1 0 219.328 3.144 50 0 BGAARO CC(C)[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000020522726 167385958 /nfs/dbraw/zinc/38/59/58/167385958.db2.gz QCMCJOFLKRPJBO-YPMHNXCESA-N 1 0 219.328 3.144 50 0 BGAARO CC(C)[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000020522728 342989557 /nfs/dbraw/zinc/98/95/57/342989557.db2.gz QCMCJOFLKRPJBO-AAEUAGOBSA-N 1 0 219.328 3.144 50 0 BGAARO CC[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC000020566887 342990705 /nfs/dbraw/zinc/99/07/05/342990705.db2.gz JPGVXSAZSUPTOC-SNVBAGLBSA-N 1 0 211.736 3.476 50 0 BGAARO CC[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC000020566888 171285781 /nfs/dbraw/zinc/28/57/81/171285781.db2.gz JPGVXSAZSUPTOC-JTQLQIEISA-N 1 0 211.736 3.476 50 0 BGAARO C[C@@H](c1ccccc1)n1c(N)[nH+]c2ccccc21 ZINC000020586085 176024255 /nfs/dbraw/zinc/02/42/55/176024255.db2.gz MIHMSHYCJPFPER-NSHDSACASA-N 1 0 237.306 3.228 50 0 BGAARO C[C@H](c1ccccc1)n1c(N)[nH+]c2ccccc21 ZINC000020586086 342991730 /nfs/dbraw/zinc/99/17/30/342991730.db2.gz MIHMSHYCJPFPER-LLVKDONJSA-N 1 0 237.306 3.228 50 0 BGAARO Nc1[nH+]c2ccccc2n1C1CCCCC1 ZINC000020586099 181794445 /nfs/dbraw/zinc/79/44/45/181794445.db2.gz HPCOFOBVDIFJIJ-UHFFFAOYSA-N 1 0 215.300 3.124 50 0 BGAARO CCc1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000020593577 384623990 /nfs/dbraw/zinc/62/39/90/384623990.db2.gz PSNKVSYTWUNKHL-UHFFFAOYSA-N 1 0 233.355 3.018 50 0 BGAARO Cc1ccc(OCCC2CC[NH2+]CC2)c(C)c1 ZINC000020593587 384624924 /nfs/dbraw/zinc/62/49/24/384624924.db2.gz CPXYIXIBNJRTIT-UHFFFAOYSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cccc(OCCC2CC[NH2+]CC2)c1C ZINC000020593593 179164563 /nfs/dbraw/zinc/16/45/63/179164563.db2.gz WYSBDVVHDQMZSI-UHFFFAOYSA-N 1 0 233.355 3.072 50 0 BGAARO CCc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000020593594 384623189 /nfs/dbraw/zinc/62/31/89/384623189.db2.gz MKWLDJULMLZCMZ-UHFFFAOYSA-N 1 0 233.355 3.018 50 0 BGAARO Cc1ccc(OCCC2CC[NH2+]CC2)cc1C ZINC000020593601 384623390 /nfs/dbraw/zinc/62/33/90/384623390.db2.gz OOSZOKOJUDWHOI-UHFFFAOYSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cc(C)c(C)c(OCCC2CC[NH2+]CC2)c1 ZINC000020593621 384624544 /nfs/dbraw/zinc/62/45/44/384624544.db2.gz OOICBWWNZSYTFG-UHFFFAOYSA-N 1 0 247.382 3.380 50 0 BGAARO CC[N@H+](CCCCO)CC1CCCCCC1 ZINC000020600143 633815358 /nfs/dbraw/zinc/81/53/58/633815358.db2.gz RYGHXSFKNAFMEC-UHFFFAOYSA-N 1 0 227.392 3.051 50 0 BGAARO CCCC[C@@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000020865577 168963641 /nfs/dbraw/zinc/96/36/41/168963641.db2.gz PYZYMBDQQKDHSC-OLZOCXBDSA-N 1 0 227.392 3.096 50 0 BGAARO CCCC[C@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000020865582 169003398 /nfs/dbraw/zinc/00/33/98/169003398.db2.gz PYZYMBDQQKDHSC-CHWSQXEVSA-N 1 0 227.392 3.096 50 0 BGAARO CCCC[C@@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000020865586 168964326 /nfs/dbraw/zinc/96/43/26/168964326.db2.gz PYZYMBDQQKDHSC-STQMWFEESA-N 1 0 227.392 3.096 50 0 BGAARO CCCC[C@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000020865590 169003884 /nfs/dbraw/zinc/00/38/84/169003884.db2.gz PYZYMBDQQKDHSC-QWHCGFSZSA-N 1 0 227.392 3.096 50 0 BGAARO CCCC[NH2+]Cc1ccccc1OCCC ZINC000020924354 384641218 /nfs/dbraw/zinc/64/12/18/384641218.db2.gz SHRVMJFJRYDRMT-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCOc1ccccc1C[NH2+]CC(C)C ZINC000020924451 169326995 /nfs/dbraw/zinc/32/69/95/169326995.db2.gz CNOLPSGAEYHTMP-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CCCOc1ccccc1C[NH2+][C@@H](C)CC ZINC000020924457 169326552 /nfs/dbraw/zinc/32/65/52/169326552.db2.gz OGRULMZNUJSGPX-LBPRGKRZSA-N 1 0 221.344 3.364 50 0 BGAARO CCCOc1ccccc1C[NH2+][C@H](C)CC ZINC000020924463 169326940 /nfs/dbraw/zinc/32/69/40/169326940.db2.gz OGRULMZNUJSGPX-GFCCVEGCSA-N 1 0 221.344 3.364 50 0 BGAARO CCCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000020924710 169324695 /nfs/dbraw/zinc/32/46/95/169324695.db2.gz FBEAWECPUGNGOS-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CCCC[NH2+]Cc1cccc(OCCC)c1 ZINC000020924773 384642904 /nfs/dbraw/zinc/64/29/04/384642904.db2.gz GBVRMXKSBOBPKK-UHFFFAOYSA-N 1 0 221.344 3.365 50 0 BGAARO CCCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000020924876 169325513 /nfs/dbraw/zinc/32/55/13/169325513.db2.gz BJFMJQQCNIGPME-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO CCCOc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000020924882 169325339 /nfs/dbraw/zinc/32/53/39/169325339.db2.gz NMDVKNLIJRBPGC-LBPRGKRZSA-N 1 0 221.344 3.364 50 0 BGAARO CCCOc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000020924888 169324657 /nfs/dbraw/zinc/32/46/57/169324657.db2.gz NMDVKNLIJRBPGC-GFCCVEGCSA-N 1 0 221.344 3.364 50 0 BGAARO CCCOc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000020925000 169325261 /nfs/dbraw/zinc/32/52/61/169325261.db2.gz ORGCNKHITKHAMT-UHFFFAOYSA-N 1 0 245.322 3.358 50 0 BGAARO CCCOc1ccc(C[NH2+]CC)cc1Cl ZINC000020925512 169318441 /nfs/dbraw/zinc/31/84/41/169318441.db2.gz YGBRHTZMMATWMT-UHFFFAOYSA-N 1 0 227.735 3.238 50 0 BGAARO CCCOc1ccc(C[NH2+]C2CC2)cc1Cl ZINC000020925613 169318814 /nfs/dbraw/zinc/31/88/14/169318814.db2.gz KTYVISBXWBANDM-UHFFFAOYSA-N 1 0 239.746 3.381 50 0 BGAARO CCCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020927894 385842319 /nfs/dbraw/zinc/84/23/19/385842319.db2.gz BRCKYXIPHYCJRG-UHFFFAOYSA-N 1 0 227.735 3.238 50 0 BGAARO COc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000020927899 175106174 /nfs/dbraw/zinc/10/61/74/175106174.db2.gz DSYBEDHROJWVBH-UHFFFAOYSA-N 1 0 239.746 3.381 50 0 BGAARO COc1ccc(C[NH2+]CC(C)C)cc1Cl ZINC000020927970 384642310 /nfs/dbraw/zinc/64/23/10/384642310.db2.gz DUGPZPNMISWTAL-UHFFFAOYSA-N 1 0 227.735 3.094 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020927975 385842356 /nfs/dbraw/zinc/84/23/56/385842356.db2.gz CCYWSZOEHMLSJY-SECBINFHSA-N 1 0 227.735 3.237 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020927981 171343302 /nfs/dbraw/zinc/34/33/02/171343302.db2.gz CCYWSZOEHMLSJY-VIFPVBQESA-N 1 0 227.735 3.237 50 0 BGAARO COc1ccc(C[NH2+]CCC(C)C)cc1Cl ZINC000020928181 384643088 /nfs/dbraw/zinc/64/30/88/384643088.db2.gz CVSXWPOUJNEDRE-UHFFFAOYSA-N 1 0 241.762 3.484 50 0 BGAARO CC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928366 170125708 /nfs/dbraw/zinc/12/57/08/170125708.db2.gz YOLDQADWDUMSDO-UHFFFAOYSA-N 1 0 234.126 3.112 50 0 BGAARO COc1c(Cl)cc(C[NH2+]C2CC2)cc1Cl ZINC000020928490 342999020 /nfs/dbraw/zinc/99/90/20/342999020.db2.gz UPFFEVOHCFFVEE-UHFFFAOYSA-N 1 0 246.137 3.254 50 0 BGAARO CCCOc1ccc(Cl)cc1C[NH2+]CC ZINC000020928819 169319244 /nfs/dbraw/zinc/31/92/44/169319244.db2.gz NLCQBGZZDKLUHE-UHFFFAOYSA-N 1 0 227.735 3.238 50 0 BGAARO CCCOc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000020928931 169318974 /nfs/dbraw/zinc/31/89/74/169318974.db2.gz HFBJVROZQRVWJW-UHFFFAOYSA-N 1 0 239.746 3.381 50 0 BGAARO CCCOc1ccc(C[NH2+]C2CC2)cc1OCC ZINC000020933389 169318581 /nfs/dbraw/zinc/31/85/81/169318581.db2.gz ZBYKXKDOFSZUTC-UHFFFAOYSA-N 1 0 249.354 3.126 50 0 BGAARO CCC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935079 169269058 /nfs/dbraw/zinc/26/90/58/169269058.db2.gz ZNBGMVIJQHGWCR-UHFFFAOYSA-N 1 0 216.328 3.161 50 0 BGAARO CCn1cc(C[NH2+]CC(C)C)c2ccccc21 ZINC000020935099 172169949 /nfs/dbraw/zinc/16/99/49/172169949.db2.gz LMJLMYJGPWBLMR-UHFFFAOYSA-N 1 0 230.355 3.407 50 0 BGAARO CCn1cc(C[NH2+]C(C)C)c2ccccc21 ZINC000020935250 172170041 /nfs/dbraw/zinc/17/00/41/172170041.db2.gz UJVGRYRHYREUKU-UHFFFAOYSA-N 1 0 216.328 3.159 50 0 BGAARO CCCCCC[NH2+]Cc1cccc(F)c1 ZINC000021022831 343002487 /nfs/dbraw/zinc/00/24/87/343002487.db2.gz QCNCLXYBNIXJCN-UHFFFAOYSA-N 1 0 209.308 3.496 50 0 BGAARO CC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000021058295 343002959 /nfs/dbraw/zinc/00/29/59/343002959.db2.gz LSDJTGHZDPICQC-SNVBAGLBSA-N 1 0 211.736 3.476 50 0 BGAARO CC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000021058299 171286223 /nfs/dbraw/zinc/28/62/23/171286223.db2.gz LSDJTGHZDPICQC-JTQLQIEISA-N 1 0 211.736 3.476 50 0 BGAARO C[NH2+]Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000021924770 173395405 /nfs/dbraw/zinc/39/54/05/173395405.db2.gz KPRJAGGFLPEMPP-UHFFFAOYSA-N 1 0 236.702 3.023 50 0 BGAARO CCCc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000021964460 343031271 /nfs/dbraw/zinc/03/12/71/343031271.db2.gz NGAIKARXJMGPHP-LLVKDONJSA-N 1 0 203.329 3.452 50 0 BGAARO CCCc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000021964465 343030964 /nfs/dbraw/zinc/03/09/64/343030964.db2.gz NGAIKARXJMGPHP-NSHDSACASA-N 1 0 203.329 3.452 50 0 BGAARO Brc1ccc(C2=[NH+]CCC2)cc1 ZINC000022002977 166097147 /nfs/dbraw/zinc/09/71/47/166097147.db2.gz JWFYKOZMQNALPB-UHFFFAOYSA-N 1 0 224.101 3.032 50 0 BGAARO c1coc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000022023180 343271952 /nfs/dbraw/zinc/27/19/52/343271952.db2.gz SVYATQQCRHBORT-OAHLLOKOSA-N 1 0 242.322 3.402 50 0 BGAARO c1coc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000022023181 343272013 /nfs/dbraw/zinc/27/20/13/343272013.db2.gz SVYATQQCRHBORT-HNNXBMFYSA-N 1 0 242.322 3.402 50 0 BGAARO c1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)co1 ZINC000022023299 384722203 /nfs/dbraw/zinc/72/22/03/384722203.db2.gz BNQYRWDBFLXBJA-OAHLLOKOSA-N 1 0 242.322 3.402 50 0 BGAARO c1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)co1 ZINC000022023300 384724654 /nfs/dbraw/zinc/72/46/54/384724654.db2.gz BNQYRWDBFLXBJA-HNNXBMFYSA-N 1 0 242.322 3.402 50 0 BGAARO CCN(CC[NH+](CC)CC)Cc1cccc(C)c1 ZINC000022027575 643403768 /nfs/dbraw/zinc/40/37/68/643403768.db2.gz QDUSMAOEXSBGFD-UHFFFAOYSA-N 1 0 248.414 3.159 50 0 BGAARO CC[NH+](CC)CCN(C)C[C@@H](C)c1ccccc1 ZINC000022027653 343272054 /nfs/dbraw/zinc/27/20/54/343272054.db2.gz OJPKDSRNKXVSGR-OAHLLOKOSA-N 1 0 248.414 3.064 50 0 BGAARO CC[NH+](CC)CCN(C)C[C@H](C)c1ccccc1 ZINC000022027655 343272049 /nfs/dbraw/zinc/27/20/49/343272049.db2.gz OJPKDSRNKXVSGR-HNNXBMFYSA-N 1 0 248.414 3.064 50 0 BGAARO CC[N@H+](CC[C@@H](C)c1ccccc1)CCN(C)C ZINC000022027660 385281541 /nfs/dbraw/zinc/28/15/41/385281541.db2.gz HYRYLHSDPMAXOE-OAHLLOKOSA-N 1 0 248.414 3.064 50 0 BGAARO CC[N@H+](CC[C@H](C)c1ccccc1)CCN(C)C ZINC000022027662 385281869 /nfs/dbraw/zinc/28/18/69/385281869.db2.gz HYRYLHSDPMAXOE-HNNXBMFYSA-N 1 0 248.414 3.064 50 0 BGAARO CCN(CC)CC[N@H+](CC)[C@@H]1CCC[C@@H](C)C1 ZINC000022027693 343037069 /nfs/dbraw/zinc/03/70/69/343037069.db2.gz LVJUHNAOMWUPSU-HUUCEWRRSA-N 1 0 240.435 3.229 50 0 BGAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]C2CC2)o1 ZINC000022077613 643427582 /nfs/dbraw/zinc/42/75/82/643427582.db2.gz AMCSADWBUNPKTE-JTQLQIEISA-N 1 0 221.344 3.396 50 0 BGAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]C2CC2)o1 ZINC000022077615 643428386 /nfs/dbraw/zinc/42/83/86/643428386.db2.gz AMCSADWBUNPKTE-SNVBAGLBSA-N 1 0 221.344 3.396 50 0 BGAARO Cc1ccc(C)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000022145926 384740920 /nfs/dbraw/zinc/74/09/20/384740920.db2.gz MBQZDFUFQIKUJT-HNNXBMFYSA-N 1 0 211.308 3.352 50 0 BGAARO Cc1ccc(C)c([C@H]([NH3+])c2ccccc2)c1 ZINC000022145932 178502754 /nfs/dbraw/zinc/50/27/54/178502754.db2.gz MBQZDFUFQIKUJT-OAHLLOKOSA-N 1 0 211.308 3.352 50 0 BGAARO CCC1CCC([NH2+]Cc2ccco2)CC1 ZINC000022149452 343042609 /nfs/dbraw/zinc/04/26/09/343042609.db2.gz KPVLSVLYLHVHRM-UHFFFAOYSA-N 1 0 207.317 3.338 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1cccc(Br)c1 ZINC000022167045 384739975 /nfs/dbraw/zinc/73/99/75/384739975.db2.gz UINQEUINGXJYDA-MRVPVSSYSA-N 1 0 240.144 3.262 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1cccc(Br)c1 ZINC000022167048 384741030 /nfs/dbraw/zinc/74/10/30/384741030.db2.gz UINQEUINGXJYDA-QMMMGPOBSA-N 1 0 240.144 3.262 50 0 BGAARO C[C@@H]([NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000022171079 384738979 /nfs/dbraw/zinc/73/89/79/384738979.db2.gz SSZHUVJPVPEBLY-LLVKDONJSA-N 1 0 245.297 3.424 50 0 BGAARO C[C@H]([NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000022171083 343042932 /nfs/dbraw/zinc/04/29/32/343042932.db2.gz SSZHUVJPVPEBLY-NSHDSACASA-N 1 0 245.297 3.424 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1ccccc1Br ZINC000022174958 384744666 /nfs/dbraw/zinc/74/46/66/384744666.db2.gz FUMGYTPRNRONPX-MRVPVSSYSA-N 1 0 240.144 3.262 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1ccccc1Br ZINC000022174961 384744911 /nfs/dbraw/zinc/74/49/11/384744911.db2.gz FUMGYTPRNRONPX-QMMMGPOBSA-N 1 0 240.144 3.262 50 0 BGAARO FC(F)(F)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000022200499 384743836 /nfs/dbraw/zinc/74/38/36/384743836.db2.gz UERYHSFWMVCBIC-LLVKDONJSA-N 1 0 243.272 3.248 50 0 BGAARO [NH3+][C@H](Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC000022204387 343044347 /nfs/dbraw/zinc/04/43/47/343044347.db2.gz CYPAYHLZVBWGSA-CQSZACIVSA-N 1 0 236.318 3.410 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1ccc(Br)cc1 ZINC000022209575 384744529 /nfs/dbraw/zinc/74/45/29/384744529.db2.gz TXBVIKNBHAWCLX-MRVPVSSYSA-N 1 0 240.144 3.262 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1ccc(Br)cc1 ZINC000022209578 176829013 /nfs/dbraw/zinc/82/90/13/176829013.db2.gz TXBVIKNBHAWCLX-QMMMGPOBSA-N 1 0 240.144 3.262 50 0 BGAARO C[C@@H]([NH2+]Cc1ccco1)c1cccs1 ZINC000022212224 343044215 /nfs/dbraw/zinc/04/42/15/343044215.db2.gz DLIPFHCUDCASAW-SECBINFHSA-N 1 0 207.298 3.192 50 0 BGAARO C[C@H]([NH2+]Cc1ccco1)c1cccs1 ZINC000022212228 384743068 /nfs/dbraw/zinc/74/30/68/384743068.db2.gz DLIPFHCUDCASAW-VIFPVBQESA-N 1 0 207.298 3.192 50 0 BGAARO COc1cc([C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000022213755 175013222 /nfs/dbraw/zinc/01/32/22/175013222.db2.gz MKVHHVCGUWHDRD-LLVKDONJSA-N 1 0 237.343 3.140 50 0 BGAARO COc1cc([C@H](C)[NH3+])ccc1OCCC(C)C ZINC000022213758 175015184 /nfs/dbraw/zinc/01/51/84/175015184.db2.gz MKVHHVCGUWHDRD-NSHDSACASA-N 1 0 237.343 3.140 50 0 BGAARO CC[C@@H]([NH3+])c1ccc(OC2CCCC2)cc1 ZINC000022219361 384747648 /nfs/dbraw/zinc/74/76/48/384747648.db2.gz SOTHMQDFMAKNCH-CQSZACIVSA-N 1 0 219.328 3.418 50 0 BGAARO CC[C@H]([NH3+])c1ccc(OC2CCCC2)cc1 ZINC000022219364 384747364 /nfs/dbraw/zinc/74/73/64/384747364.db2.gz SOTHMQDFMAKNCH-AWEZNQCLSA-N 1 0 219.328 3.418 50 0 BGAARO COc1cc([C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000022219488 175013499 /nfs/dbraw/zinc/01/34/99/175013499.db2.gz RZGNZRQYSDWAFX-SNVBAGLBSA-N 1 0 235.327 3.036 50 0 BGAARO COc1cc([C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000022219491 175015241 /nfs/dbraw/zinc/01/52/41/175015241.db2.gz RZGNZRQYSDWAFX-JTQLQIEISA-N 1 0 235.327 3.036 50 0 BGAARO CCc1c(C)c(=[NH2+])c2ccccc2n1CC ZINC000022341807 642310129 /nfs/dbraw/zinc/31/01/29/642310129.db2.gz VMJSAUHDBGUYGN-UHFFFAOYSA-N 1 0 214.312 3.011 50 0 BGAARO CCN(CC)CC[N@H+](CC)[C@@H]1CCC[C@H](C)C1 ZINC000022455630 343049225 /nfs/dbraw/zinc/04/92/25/343049225.db2.gz LVJUHNAOMWUPSU-LSDHHAIUSA-N 1 0 240.435 3.229 50 0 BGAARO CCN(CC)CC[N@H+](CC)[C@H]1CCC[C@H](C)C1 ZINC000022455635 343049436 /nfs/dbraw/zinc/04/94/36/343049436.db2.gz LVJUHNAOMWUPSU-GJZGRUSLSA-N 1 0 240.435 3.229 50 0 BGAARO CC[NH+](CC)CCN(C)Cc1ccc(C)cc1C ZINC000022586763 631405947 /nfs/dbraw/zinc/40/59/47/631405947.db2.gz DDZLEQDCIQTMNZ-UHFFFAOYSA-N 1 0 248.414 3.077 50 0 BGAARO Brc1ccccc1C[NH+]1CCCC1 ZINC000022863062 166103108 /nfs/dbraw/zinc/10/31/08/166103108.db2.gz HDIGDQKZWCNWPI-UHFFFAOYSA-N 1 0 240.144 3.045 50 0 BGAARO Cc1cccc(C)c1OC[C@@H]([NH3+])C(C)(C)C ZINC000023068435 179047539 /nfs/dbraw/zinc/04/75/39/179047539.db2.gz RBQDYLCWMGJWRZ-GFCCVEGCSA-N 1 0 221.344 3.056 50 0 BGAARO Cc1cccc(C)c1OC[C@H]([NH3+])C(C)(C)C ZINC000023068437 179047996 /nfs/dbraw/zinc/04/79/96/179047996.db2.gz RBQDYLCWMGJWRZ-LBPRGKRZSA-N 1 0 221.344 3.056 50 0 BGAARO Cc1ccsc1C[N@H+](C)CCc1ccccn1 ZINC000023115060 343059088 /nfs/dbraw/zinc/05/90/88/343059088.db2.gz KYMQTCRVFREUFZ-UHFFFAOYSA-N 1 0 246.379 3.126 50 0 BGAARO [NH3+]Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000023153596 711603291 /nfs/dbraw/zinc/60/32/91/711603291.db2.gz CXYCOWHGDCSUKZ-UHFFFAOYSA-N 1 0 249.317 3.202 50 0 BGAARO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000023280323 356661144 /nfs/dbraw/zinc/66/11/44/356661144.db2.gz DUVCPZKQVRGBMO-HUUCEWRRSA-N 1 0 239.403 3.216 50 0 BGAARO COc1ccccc1CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000023280440 175323372 /nfs/dbraw/zinc/32/33/72/175323372.db2.gz GSJGRYUDEBEFSF-TZMCWYRMSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccccc1CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000023280443 175323594 /nfs/dbraw/zinc/32/35/94/175323594.db2.gz GSJGRYUDEBEFSF-OCCSQVGLSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccccc1CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000023280446 175323380 /nfs/dbraw/zinc/32/33/80/175323380.db2.gz GSJGRYUDEBEFSF-GXTWGEPZSA-N 1 0 233.355 3.016 50 0 BGAARO COc1ccccc1CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000023280449 175323704 /nfs/dbraw/zinc/32/37/04/175323704.db2.gz GSJGRYUDEBEFSF-JSGCOSHPSA-N 1 0 233.355 3.016 50 0 BGAARO CC(C)=CCC[C@H](C)CC[NH+]1CCOCC1 ZINC000023280815 387017185 /nfs/dbraw/zinc/01/71/85/387017185.db2.gz GTJUGVNNIFPTRJ-AWEZNQCLSA-N 1 0 225.376 3.091 50 0 BGAARO CC1=C(CC[NH+]2CCOCC2)C(C)(C)CCC1 ZINC000023280929 343271921 /nfs/dbraw/zinc/27/19/21/343271921.db2.gz DOZWLENCKCXACG-UHFFFAOYSA-N 1 0 237.387 3.235 50 0 BGAARO C[N@H+](C[C@@H](O)c1ccccc1)CC1CCCCC1 ZINC000023281052 343063066 /nfs/dbraw/zinc/06/30/66/343063066.db2.gz RFXDFZSLQRIGGP-MRXNPFEDSA-N 1 0 247.382 3.232 50 0 BGAARO C[N@H+](C[C@H](O)c1ccccc1)CC1CCCCC1 ZINC000023281054 343063284 /nfs/dbraw/zinc/06/32/84/343063284.db2.gz RFXDFZSLQRIGGP-INIZCTEOSA-N 1 0 247.382 3.232 50 0 BGAARO c1cncc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000023281130 367991715 /nfs/dbraw/zinc/99/17/15/367991715.db2.gz SLFKMBZOZWUENE-LSDHHAIUSA-N 1 0 230.355 3.236 50 0 BGAARO c1cncc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000023281132 397977873 /nfs/dbraw/zinc/97/78/73/397977873.db2.gz SLFKMBZOZWUENE-GJZGRUSLSA-N 1 0 230.355 3.236 50 0 BGAARO c1cncc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000023281135 397977577 /nfs/dbraw/zinc/97/75/77/397977577.db2.gz SLFKMBZOZWUENE-HUUCEWRRSA-N 1 0 230.355 3.236 50 0 BGAARO c1cncc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000023281138 397977607 /nfs/dbraw/zinc/97/76/07/397977607.db2.gz SLFKMBZOZWUENE-CABCVRRESA-N 1 0 230.355 3.236 50 0 BGAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000023281348 343386413 /nfs/dbraw/zinc/38/64/13/343386413.db2.gz FWFISHFNIWPLMS-LSDHHAIUSA-N 1 0 239.403 3.073 50 0 BGAARO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000023281350 343386407 /nfs/dbraw/zinc/38/64/07/343386407.db2.gz FWFISHFNIWPLMS-HUUCEWRRSA-N 1 0 239.403 3.073 50 0 BGAARO CCC[N@@H+](Cc1ccc2c(c1)OCO2)CC1CC1 ZINC000023281357 521685433 /nfs/dbraw/zinc/68/54/33/521685433.db2.gz YNMIPSKVZRIKES-UHFFFAOYSA-N 1 0 247.338 3.037 50 0 BGAARO COc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000023281466 385281471 /nfs/dbraw/zinc/28/14/71/385281471.db2.gz YAJRTQYHTVXMCP-LBPRGKRZSA-N 1 0 219.328 3.070 50 0 BGAARO COc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000023281468 385283507 /nfs/dbraw/zinc/28/35/07/385283507.db2.gz YAJRTQYHTVXMCP-GFCCVEGCSA-N 1 0 219.328 3.070 50 0 BGAARO CC(C)=CCCCCCC[NH+]1CCC(O)CC1 ZINC000023281579 632769969 /nfs/dbraw/zinc/76/99/69/632769969.db2.gz SFJPZOSRTMWANA-UHFFFAOYSA-N 1 0 239.403 3.360 50 0 BGAARO COc1ccc(C[NH+]2CCCC2)c2ccccc12 ZINC000023281854 188108992 /nfs/dbraw/zinc/10/89/92/188108992.db2.gz UJBMIBUORLULSD-UHFFFAOYSA-N 1 0 241.334 3.444 50 0 BGAARO CCN(CC)CC[N@H+](CC)[C@H]1CCC[C@@H](C)C1 ZINC000023282284 343063322 /nfs/dbraw/zinc/06/33/22/343063322.db2.gz LVJUHNAOMWUPSU-CABCVRRESA-N 1 0 240.435 3.229 50 0 BGAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000023282636 175115649 /nfs/dbraw/zinc/11/56/49/175115649.db2.gz PRMMWMJURSAYBN-GFCCVEGCSA-N 1 0 245.322 3.009 50 0 BGAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000023282638 188109142 /nfs/dbraw/zinc/10/91/42/188109142.db2.gz PRMMWMJURSAYBN-LBPRGKRZSA-N 1 0 245.322 3.009 50 0 BGAARO c1ccc(C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000023282838 183390166 /nfs/dbraw/zinc/39/01/66/183390166.db2.gz IMLLXDSYXDAESS-UHFFFAOYSA-N 1 0 245.366 3.045 50 0 BGAARO COc1ccc(C[C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000023283454 384085601 /nfs/dbraw/zinc/08/56/01/384085601.db2.gz AGJVFFWLIVKFAZ-GFCCVEGCSA-N 1 0 233.355 3.158 50 0 BGAARO COc1ccc(C[C@H](C)[NH2+]C2CCCC2)cc1 ZINC000023283456 187419768 /nfs/dbraw/zinc/41/97/68/187419768.db2.gz AGJVFFWLIVKFAZ-LBPRGKRZSA-N 1 0 233.355 3.158 50 0 BGAARO C[C@@H](CCc1ccccc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023283488 343063117 /nfs/dbraw/zinc/06/31/17/343063117.db2.gz SWPBYVAZDQCLRW-RRFJBIMHSA-N 1 0 247.382 3.117 50 0 BGAARO C[C@@H](CCc1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023283490 177273863 /nfs/dbraw/zinc/27/38/63/177273863.db2.gz SWPBYVAZDQCLRW-SOUVJXGZSA-N 1 0 247.382 3.117 50 0 BGAARO C[C@H](CCc1ccccc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023283492 176316611 /nfs/dbraw/zinc/31/66/11/176316611.db2.gz SWPBYVAZDQCLRW-RBSFLKMASA-N 1 0 247.382 3.117 50 0 BGAARO C[C@H](CCc1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023283494 177274700 /nfs/dbraw/zinc/27/47/00/177274700.db2.gz SWPBYVAZDQCLRW-KFWWJZLASA-N 1 0 247.382 3.117 50 0 BGAARO Fc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000023472309 181011393 /nfs/dbraw/zinc/01/13/93/181011393.db2.gz CYDJHWYFIMZYCM-UHFFFAOYSA-N 1 0 241.309 3.384 50 0 BGAARO CC[NH+](CC)CCCCOc1ccc(F)cc1 ZINC000023550100 632940042 /nfs/dbraw/zinc/94/00/42/632940042.db2.gz WWAYEMLKEITDMS-UHFFFAOYSA-N 1 0 239.334 3.327 50 0 BGAARO c1ccc([C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000023625302 384804922 /nfs/dbraw/zinc/80/49/22/384804922.db2.gz RFLDHZLAQOBNRW-OAHLLOKOSA-N 1 0 209.292 3.074 50 0 BGAARO c1ccc([C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000023625305 384804815 /nfs/dbraw/zinc/80/48/15/384804815.db2.gz RFLDHZLAQOBNRW-HNNXBMFYSA-N 1 0 209.292 3.074 50 0 BGAARO Clc1cccc(CC[NH2+]Cc2ccncc2)c1 ZINC000023634807 633031324 /nfs/dbraw/zinc/03/13/24/633031324.db2.gz DLCSMVUQFJIECR-UHFFFAOYSA-N 1 0 246.741 3.067 50 0 BGAARO C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000024321358 173388179 /nfs/dbraw/zinc/38/81/79/173388179.db2.gz SRGFOFCAJXUEOA-UHFFFAOYSA-N 1 0 244.319 3.276 50 0 BGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000024834848 168298091 /nfs/dbraw/zinc/29/80/91/168298091.db2.gz HNLSXHUBYMUNFP-UHFFFAOYSA-N 1 0 248.370 3.020 50 0 BGAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000024839925 168298043 /nfs/dbraw/zinc/29/80/43/168298043.db2.gz PKHOBVSHAWZVPZ-UHFFFAOYSA-N 1 0 248.370 3.020 50 0 BGAARO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000025436916 397984547 /nfs/dbraw/zinc/98/45/47/397984547.db2.gz VKWJLDQFNZKCCM-CZUORRHYSA-N 1 0 241.334 3.071 50 0 BGAARO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000025436919 397984456 /nfs/dbraw/zinc/98/44/56/397984456.db2.gz VKWJLDQFNZKCCM-XJKSGUPXSA-N 1 0 241.334 3.071 50 0 BGAARO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000025436922 384851881 /nfs/dbraw/zinc/85/18/81/384851881.db2.gz VKWJLDQFNZKCCM-CJNGLKHVSA-N 1 0 241.334 3.071 50 0 BGAARO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000025436925 384850534 /nfs/dbraw/zinc/85/05/34/384850534.db2.gz VKWJLDQFNZKCCM-BBRMVZONSA-N 1 0 241.334 3.071 50 0 BGAARO O=C(SC[NH+]1CCCCC1)c1ccccc1 ZINC000025630019 343093748 /nfs/dbraw/zinc/09/37/48/343093748.db2.gz KQZHFQDIBXVQIP-UHFFFAOYSA-N 1 0 235.352 3.003 50 0 BGAARO Cc1cc(C)c(/C=C2\[NH+]=C(C)C=C2C)[nH]1 ZINC000025724240 168093208 /nfs/dbraw/zinc/09/32/08/168093208.db2.gz VEDYKOPETFAIJI-QPEQYQDCSA-N 1 0 200.285 3.393 50 0 BGAARO C[C@]12[NH2+][C@H](Cc3ccccc31)c1ccccc12 ZINC000025757829 397985222 /nfs/dbraw/zinc/98/52/22/397985222.db2.gz LBOJYSIDWZQNJS-CVEARBPZSA-N 1 0 221.303 3.151 50 0 in-man BGAARO C[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000026011425 343099577 /nfs/dbraw/zinc/09/95/77/343099577.db2.gz LBOJYSIDWZQNJS-JKSUJKDBSA-N 1 0 221.303 3.151 50 0 in-vitro BGAARO C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000026012800 173338102 /nfs/dbraw/zinc/33/81/02/173338102.db2.gz WXSURELOKDGQNF-UHFFFAOYSA-N 1 0 211.308 3.038 50 0 BGAARO Cc1ccc(C2(C[NH3+])CCCCC2)cc1 ZINC000026509778 343106383 /nfs/dbraw/zinc/10/63/83/343106383.db2.gz FVVRLVQDXAZMHZ-UHFFFAOYSA-N 1 0 203.329 3.156 50 0 BGAARO Cc1c2ccccc2oc1[C@H]([NH3+])C(C)C ZINC000026513608 343106611 /nfs/dbraw/zinc/10/66/11/343106611.db2.gz HVLPOBQRKWXUAB-GFCCVEGCSA-N 1 0 203.285 3.397 50 0 BGAARO Cc1c2ccccc2oc1[C@@H]([NH3+])C(C)C ZINC000026513610 343106734 /nfs/dbraw/zinc/10/67/34/343106734.db2.gz HVLPOBQRKWXUAB-LBPRGKRZSA-N 1 0 203.285 3.397 50 0 BGAARO [NH3+]CCCc1ccccc1OCc1ccccc1 ZINC000026895087 188282999 /nfs/dbraw/zinc/28/29/99/188282999.db2.gz LPMQBTRNWFFFAZ-UHFFFAOYSA-N 1 0 241.334 3.157 50 0 BGAARO CC(C)(C)[NH2+]CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000028293968 371592573 /nfs/dbraw/zinc/59/25/73/371592573.db2.gz HMZICFSFRRTDDK-UHFFFAOYSA-N 1 0 249.398 3.160 50 0 BGAARO Cc1ccccc1COCC[C@@H]1CCCC[NH2+]1 ZINC000028522136 179285747 /nfs/dbraw/zinc/28/57/47/179285747.db2.gz XBBCCNDDXAPHRY-HNNXBMFYSA-N 1 0 233.355 3.044 50 0 BGAARO Cc1ccccc1COCC[C@H]1CCCC[NH2+]1 ZINC000028522139 179286174 /nfs/dbraw/zinc/28/61/74/179286174.db2.gz XBBCCNDDXAPHRY-OAHLLOKOSA-N 1 0 233.355 3.044 50 0 BGAARO Cc1cccc(COCC[C@@H]2CCCC[NH2+]2)c1 ZINC000028522142 343130099 /nfs/dbraw/zinc/13/00/99/343130099.db2.gz DMCBNRVECGZSMH-HNNXBMFYSA-N 1 0 233.355 3.044 50 0 BGAARO Cc1cccc(COCC[C@H]2CCCC[NH2+]2)c1 ZINC000028522145 343130006 /nfs/dbraw/zinc/13/00/06/343130006.db2.gz DMCBNRVECGZSMH-OAHLLOKOSA-N 1 0 233.355 3.044 50 0 BGAARO Cc1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000028522147 343130033 /nfs/dbraw/zinc/13/00/33/343130033.db2.gz UGUUCLCKBURYAX-HNNXBMFYSA-N 1 0 233.355 3.044 50 0 BGAARO Cc1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000028522150 187255941 /nfs/dbraw/zinc/25/59/41/187255941.db2.gz UGUUCLCKBURYAX-OAHLLOKOSA-N 1 0 233.355 3.044 50 0 BGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH+](C)C ZINC000028526198 343130154 /nfs/dbraw/zinc/13/01/54/343130154.db2.gz KSYMELKKLOFABL-UHFFFAOYSA-N 1 0 236.746 3.234 50 0 in-vitro BGAARO CCC[N@@H+]1CCC[C@H](c2cccc(OC)c2)C1 ZINC000029241653 169198430 /nfs/dbraw/zinc/19/84/30/169198430.db2.gz IOENUXNLWXMOQG-AWEZNQCLSA-N 1 0 233.355 3.285 50 0 BGAARO CCC[NH+](CCC)CCc1cccc(O)c1 ZINC000029327451 169147727 /nfs/dbraw/zinc/14/77/27/169147727.db2.gz ZNNWOWADALHHDU-UHFFFAOYSA-N 1 0 221.344 3.057 50 0 BGAARO C[C@@H]([NH3+])Cc1ccc2oc3ccccc3c2c1 ZINC000030834286 175807069 /nfs/dbraw/zinc/80/70/69/175807069.db2.gz NNNWHUROUDDELT-SNVBAGLBSA-N 1 0 225.291 3.476 50 0 BGAARO C[C@H]([NH3+])Cc1ccc2oc3ccccc3c2c1 ZINC000030834287 176761768 /nfs/dbraw/zinc/76/17/68/176761768.db2.gz NNNWHUROUDDELT-JTQLQIEISA-N 1 0 225.291 3.476 50 0 BGAARO C[C@@H](C[NH3+])Cc1cc(Cl)ccc1Cl ZINC000030834299 343208692 /nfs/dbraw/zinc/20/86/92/343208692.db2.gz OAWOIVQKHPITOL-SSDOTTSWSA-N 1 0 218.127 3.131 50 0 BGAARO C[C@H](C[NH3+])Cc1cc(Cl)ccc1Cl ZINC000030834302 343208560 /nfs/dbraw/zinc/20/85/60/343208560.db2.gz OAWOIVQKHPITOL-ZETCQYMHSA-N 1 0 218.127 3.131 50 0 BGAARO C[C@@]1(c2ccccc2)[NH2+]CCc2ccccc21 ZINC000031417652 360429944 /nfs/dbraw/zinc/42/99/44/360429944.db2.gz TUTBQGAMVCUYQM-INIZCTEOSA-N 1 0 223.319 3.096 50 0 BGAARO C[C@]1(c2ccccc2)[NH2+]CCc2ccccc21 ZINC000031417656 387342675 /nfs/dbraw/zinc/34/26/75/387342675.db2.gz TUTBQGAMVCUYQM-MRXNPFEDSA-N 1 0 223.319 3.096 50 0 BGAARO Cc1cc(C)c(/C=C2/[NH+]=C(C)C=C2C)[nH]1 ZINC000031555600 168093225 /nfs/dbraw/zinc/09/32/25/168093225.db2.gz VEDYKOPETFAIJI-NTUHNPAUSA-N 1 0 200.285 3.393 50 0 BGAARO CC[C@@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000032013236 385120135 /nfs/dbraw/zinc/12/01/35/385120135.db2.gz MXSWGTIGKBARQA-SECBINFHSA-N 1 0 218.127 3.273 50 0 BGAARO CC[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000032013237 385121350 /nfs/dbraw/zinc/12/13/50/385121350.db2.gz MXSWGTIGKBARQA-VIFPVBQESA-N 1 0 218.127 3.273 50 0 BGAARO CCCC[NH2+]Cc1ccccc1OC(C)C ZINC000032014077 385120480 /nfs/dbraw/zinc/12/04/80/385120480.db2.gz XKJDURBBMBDUDB-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC(C)C[NH2+]Cc1ccccc1OC(C)C ZINC000032014078 167009585 /nfs/dbraw/zinc/00/95/85/167009585.db2.gz GWZJOYDOXRLEIX-UHFFFAOYSA-N 1 0 221.344 3.219 50 0 BGAARO CCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000032014082 385121410 /nfs/dbraw/zinc/12/14/10/385121410.db2.gz NIFYFNBBKKYCCH-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC(C)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000032014083 167010039 /nfs/dbraw/zinc/01/00/39/167010039.db2.gz YIJGVURQURNSJY-UHFFFAOYSA-N 1 0 221.344 3.219 50 0 BGAARO CCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000032014087 168869033 /nfs/dbraw/zinc/86/90/33/168869033.db2.gz LACBNGSRXNXXJD-UHFFFAOYSA-N 1 0 221.344 3.364 50 0 BGAARO CC(C)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000032014088 167008828 /nfs/dbraw/zinc/00/88/28/167008828.db2.gz DBKRZHGGAZZDNX-UHFFFAOYSA-N 1 0 221.344 3.219 50 0 BGAARO CC(C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000032014090 167310951 /nfs/dbraw/zinc/31/09/51/167310951.db2.gz XBBHOZQVFJNTTB-UHFFFAOYSA-N 1 0 221.344 3.362 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000032014091 343228049 /nfs/dbraw/zinc/22/80/49/343228049.db2.gz JWCMEHBEMTYSQB-GFCCVEGCSA-N 1 0 221.344 3.362 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000032014092 171343031 /nfs/dbraw/zinc/34/30/31/171343031.db2.gz JWCMEHBEMTYSQB-LBPRGKRZSA-N 1 0 221.344 3.362 50 0 BGAARO CC(C)Oc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000032014093 167306012 /nfs/dbraw/zinc/30/60/12/167306012.db2.gz MGZKQMGUTLPRAX-UHFFFAOYSA-N 1 0 221.344 3.362 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000032014094 343228087 /nfs/dbraw/zinc/22/80/87/343228087.db2.gz LFBFLWVRJLBKRR-GFCCVEGCSA-N 1 0 221.344 3.362 50 0 BGAARO CC[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000032014095 171343083 /nfs/dbraw/zinc/34/30/83/171343083.db2.gz LFBFLWVRJLBKRR-LBPRGKRZSA-N 1 0 221.344 3.362 50 0 BGAARO CC(C)Oc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000032014096 167294370 /nfs/dbraw/zinc/29/43/70/167294370.db2.gz NBBPLNBFMMCJRI-UHFFFAOYSA-N 1 0 221.344 3.362 50 0 BGAARO FC(F)(F)c1cccc(C[C@@H]2CCC[NH2+]C2)c1 ZINC000032099136 180894473 /nfs/dbraw/zinc/89/44/73/180894473.db2.gz NBJMMSXTOSDULN-NSHDSACASA-N 1 0 243.272 3.248 50 0 BGAARO FC(F)(F)c1cccc(C[C@@H]2CCCC[NH2+]2)c1 ZINC000032099156 180894557 /nfs/dbraw/zinc/89/45/57/180894557.db2.gz ZPZRBRRCSKRQFL-LBPRGKRZSA-N 1 0 243.272 3.390 50 0 BGAARO FC(F)(F)c1cccc(C[C@H]2CCCC[NH2+]2)c1 ZINC000032099157 385131057 /nfs/dbraw/zinc/13/10/57/385131057.db2.gz ZPZRBRRCSKRQFL-GFCCVEGCSA-N 1 0 243.272 3.390 50 0 BGAARO Cc1cc(N)c2c(Cl)cc(Cl)cc2[nH+]1 ZINC000032099241 178104190 /nfs/dbraw/zinc/10/41/90/178104190.db2.gz WGXAEZMNZHRTNP-UHFFFAOYSA-N 1 0 227.094 3.432 50 0 BGAARO CC(C)Oc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000032102205 167307382 /nfs/dbraw/zinc/30/73/82/167307382.db2.gz MBBWOESLUZYOSP-UHFFFAOYSA-N 1 0 245.322 3.357 50 0 BGAARO CC(C)Oc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000032102206 167295038 /nfs/dbraw/zinc/29/50/38/167295038.db2.gz XNDYLMOYTWIILJ-UHFFFAOYSA-N 1 0 245.322 3.357 50 0 BGAARO Cc1ccc([C@@H](O)C[NH2+]C2CCCCCC2)cc1 ZINC000032103132 398328672 /nfs/dbraw/zinc/32/86/72/398328672.db2.gz YGSXSNGMTKXZKT-INIZCTEOSA-N 1 0 247.382 3.341 50 0 BGAARO Cc1ccc([C@H](O)C[NH2+]C2CCCCCC2)cc1 ZINC000032103134 178914574 /nfs/dbraw/zinc/91/45/74/178914574.db2.gz YGSXSNGMTKXZKT-MRXNPFEDSA-N 1 0 247.382 3.341 50 0 BGAARO C[C@H]1C/C(=C/c2ccco2)[C@H](C)[N@@H+](C)C1 ZINC000032109905 177061042 /nfs/dbraw/zinc/06/10/42/177061042.db2.gz ZVFSUINMTCQBSE-QGXQPGLJSA-N 1 0 205.301 3.023 50 0 BGAARO CC(C)(C)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000032169205 356366841 /nfs/dbraw/zinc/36/68/41/356366841.db2.gz FUBUVVPXPVESQM-ZDUSSCGKSA-N 1 0 203.329 3.310 50 0 BGAARO CC(C)(C)C[C@H]1[NH2+]CCc2ccccc21 ZINC000032169208 356367896 /nfs/dbraw/zinc/36/78/96/356367896.db2.gz FUBUVVPXPVESQM-CYBMUJFWSA-N 1 0 203.329 3.310 50 0 BGAARO C[N@@H+]1CCC[C@H]1CNc1cccc2ccccc21 ZINC000032229467 173056625 /nfs/dbraw/zinc/05/66/25/173056625.db2.gz XNUJQYGTHGYURE-AWEZNQCLSA-N 1 0 240.350 3.346 50 0 BGAARO Nc1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH+]1 ZINC000032256916 181777626 /nfs/dbraw/zinc/77/76/26/181777626.db2.gz SGAJYSVXSHVBFU-UHFFFAOYSA-N 1 0 235.290 3.326 50 0 BGAARO CC(C)CC[C@@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000032513748 385985269 /nfs/dbraw/zinc/98/52/69/385985269.db2.gz IRBQRYUZSPJWGP-ZBFHGGJFSA-N 1 0 249.398 3.004 50 0 BGAARO CC(C)CC[C@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000032513749 350202251 /nfs/dbraw/zinc/20/22/51/350202251.db2.gz IRBQRYUZSPJWGP-HOCLYGCPSA-N 1 0 249.398 3.004 50 0 BGAARO c1ccc2c(c1)CC([NH2+]C1CCCCCC1)C2 ZINC000032534828 322898371 /nfs/dbraw/zinc/89/83/71/322898371.db2.gz IHFAIJFDUHAABN-UHFFFAOYSA-N 1 0 229.367 3.466 50 0 BGAARO CCCCC[NH+](CCCCC)C[C@@H](C)N ZINC000032553270 343237640 /nfs/dbraw/zinc/23/76/40/343237640.db2.gz IVAGSJOVCSYTCE-CYBMUJFWSA-N 1 0 214.397 3.016 50 0 BGAARO CCCCC[NH+](CCCCC)C[C@H](C)N ZINC000032553271 343237432 /nfs/dbraw/zinc/23/74/32/343237432.db2.gz IVAGSJOVCSYTCE-ZDUSSCGKSA-N 1 0 214.397 3.016 50 0 BGAARO CCC(C)(C)[NH2+]Cc1c(C)cc(C)c(CO)c1C ZINC000032576407 168299131 /nfs/dbraw/zinc/29/91/31/168299131.db2.gz JGLYJCOWMFQQIO-UHFFFAOYSA-N 1 0 249.398 3.382 50 0 BGAARO c1n[nH]cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032576496 183329010 /nfs/dbraw/zinc/32/90/10/183329010.db2.gz SBHGHZMCWVKCNH-UHFFFAOYSA-N 1 0 241.338 3.063 50 0 BGAARO CC(C)CC[C@@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000032582013 385173661 /nfs/dbraw/zinc/17/36/61/385173661.db2.gz IRBQRYUZSPJWGP-GDBMZVCRSA-N 1 0 249.398 3.004 50 0 BGAARO CC(C)CC[C@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000032582015 343237844 /nfs/dbraw/zinc/23/78/44/343237844.db2.gz IRBQRYUZSPJWGP-GOEBONIOSA-N 1 0 249.398 3.004 50 0 BGAARO C[C@@H](CCCC(C)(C)O)CC[NH2+][C@@H](C)C1CC1 ZINC000032587204 343238059 /nfs/dbraw/zinc/23/80/59/343238059.db2.gz ADFYMADYTXJRQE-STQMWFEESA-N 1 0 241.419 3.342 50 0 BGAARO C[C@H](CCCC(C)(C)O)CC[NH2+][C@@H](C)C1CC1 ZINC000032587205 385172554 /nfs/dbraw/zinc/17/25/54/385172554.db2.gz ADFYMADYTXJRQE-OLZOCXBDSA-N 1 0 241.419 3.342 50 0 BGAARO C[C@@H]([NH2+]CC[C@@H](C)CCCC(C)(C)O)C1CC1 ZINC000032587206 343237851 /nfs/dbraw/zinc/23/78/51/343237851.db2.gz ADFYMADYTXJRQE-QWHCGFSZSA-N 1 0 241.419 3.342 50 0 BGAARO C[C@H](CCCC(C)(C)O)CC[NH2+][C@H](C)C1CC1 ZINC000032587207 343238021 /nfs/dbraw/zinc/23/80/21/343238021.db2.gz ADFYMADYTXJRQE-CHWSQXEVSA-N 1 0 241.419 3.342 50 0 BGAARO Cc1cc(C)c(C[NH2+][C@@H](C)C(C)C)c(C)c1CO ZINC000032590298 385173910 /nfs/dbraw/zinc/17/39/10/385173910.db2.gz XSMWVYAGSXZNGQ-AWEZNQCLSA-N 1 0 249.398 3.238 50 0 BGAARO CCCC[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1 ZINC000032592811 168963431 /nfs/dbraw/zinc/96/34/31/168963431.db2.gz FEJDGPLMLCGCDK-HOCLYGCPSA-N 1 0 249.398 3.148 50 0 BGAARO CCCC[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1 ZINC000032592812 169003492 /nfs/dbraw/zinc/00/34/92/169003492.db2.gz FEJDGPLMLCGCDK-GOEBONIOSA-N 1 0 249.398 3.148 50 0 BGAARO CCCC[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1 ZINC000032592813 343238624 /nfs/dbraw/zinc/23/86/24/343238624.db2.gz FEJDGPLMLCGCDK-ZBFHGGJFSA-N 1 0 249.398 3.148 50 0 BGAARO CCCC[C@H](CO)[NH2+][C@H](C)CCc1ccccc1 ZINC000032592814 169004022 /nfs/dbraw/zinc/00/40/22/169004022.db2.gz FEJDGPLMLCGCDK-GDBMZVCRSA-N 1 0 249.398 3.148 50 0 BGAARO CCCC(CCC)[NH2+][C@H](CO)Cc1ccccc1 ZINC000032592825 343238666 /nfs/dbraw/zinc/23/86/66/343238666.db2.gz CCQDBZFGSSWAOY-INIZCTEOSA-N 1 0 249.398 3.148 50 0 BGAARO CC(C)CC[C@@H](C)[NH2+]CCC1(O)CCCC1 ZINC000032598420 166891885 /nfs/dbraw/zinc/89/18/85/166891885.db2.gz KNVQRGVTJVCUEP-CYBMUJFWSA-N 1 0 227.392 3.096 50 0 BGAARO CC(C)CC[C@H](C)[NH2+]CCC1(O)CCCC1 ZINC000032598423 342854398 /nfs/dbraw/zinc/85/43/98/342854398.db2.gz KNVQRGVTJVCUEP-ZDUSSCGKSA-N 1 0 227.392 3.096 50 0 BGAARO Cc1cccc(C2(C[NH3+])CCCCC2)c1 ZINC000032628478 179050673 /nfs/dbraw/zinc/05/06/73/179050673.db2.gz MAQLUZGGBATJQX-UHFFFAOYSA-N 1 0 203.329 3.156 50 0 BGAARO [NH3+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000032629456 343239315 /nfs/dbraw/zinc/23/93/15/343239315.db2.gz BPTMKNYVUJRAEA-NSHDSACASA-N 1 0 223.728 3.450 50 0 BGAARO [NH3+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000032629458 343239500 /nfs/dbraw/zinc/23/95/00/343239500.db2.gz BPTMKNYVUJRAEA-LLVKDONJSA-N 1 0 223.728 3.450 50 0 BGAARO C[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000032751276 176101956 /nfs/dbraw/zinc/10/19/56/176101956.db2.gz HQBXEIIQUXKKDT-LLVKDONJSA-N 1 0 230.311 3.060 50 0 BGAARO C[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000032751278 177103218 /nfs/dbraw/zinc/10/32/18/177103218.db2.gz HQBXEIIQUXKKDT-NSHDSACASA-N 1 0 230.311 3.060 50 0 BGAARO C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000032751326 176073977 /nfs/dbraw/zinc/07/39/77/176073977.db2.gz MRCMRHCEKMCSFN-LLVKDONJSA-N 1 0 230.311 3.202 50 0 BGAARO C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000032751327 177076288 /nfs/dbraw/zinc/07/62/88/177076288.db2.gz MRCMRHCEKMCSFN-NSHDSACASA-N 1 0 230.311 3.202 50 0 BGAARO CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000032819552 343242740 /nfs/dbraw/zinc/24/27/40/343242740.db2.gz HELWGWAGZICATR-LLVKDONJSA-N 1 0 232.352 3.453 50 0 BGAARO CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000032819553 343242525 /nfs/dbraw/zinc/24/25/25/343242525.db2.gz HELWGWAGZICATR-NSHDSACASA-N 1 0 232.352 3.453 50 0 BGAARO C[N@H+](Cc1nc2ccccc2o1)C1CCCC1 ZINC000032843184 343243040 /nfs/dbraw/zinc/24/30/40/343243040.db2.gz SCFXOOYWBSWOMM-UHFFFAOYSA-N 1 0 230.311 3.202 50 0 BGAARO Cc1noc(C)c1C[N@@H+](C)C1CCCCCC1 ZINC000032860224 487694262 /nfs/dbraw/zinc/69/42/62/487694262.db2.gz STNXGCNMFQRFLX-UHFFFAOYSA-N 1 0 236.359 3.446 50 0 BGAARO [NH3+]C1(c2ccc(Br)cc2)CCCC1 ZINC000032913293 181333755 /nfs/dbraw/zinc/33/37/55/181333755.db2.gz KANRSDUCSFJYII-UHFFFAOYSA-N 1 0 240.144 3.177 50 0 BGAARO CC(C)[N@H+](C)Cc1cccc(Br)c1 ZINC000032917426 188284189 /nfs/dbraw/zinc/28/41/89/188284189.db2.gz RJIQCHPWEBJDCS-UHFFFAOYSA-N 1 0 242.160 3.289 50 0 BGAARO CC(C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000032917449 385189789 /nfs/dbraw/zinc/18/97/89/385189789.db2.gz AMRATEWLRLEPNP-UHFFFAOYSA-N 1 0 242.160 3.289 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000032919242 187765720 /nfs/dbraw/zinc/76/57/20/187765720.db2.gz BQJNCHQXDCVTAP-SNVBAGLBSA-N 1 0 202.301 3.056 50 0 BGAARO CC[C@H](C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000032919244 171341899 /nfs/dbraw/zinc/34/18/99/171341899.db2.gz BQJNCHQXDCVTAP-JTQLQIEISA-N 1 0 202.301 3.056 50 0 BGAARO C[C@@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000033465772 387248967 /nfs/dbraw/zinc/24/89/67/387248967.db2.gz WVQNHLVEDPIIRS-SECBINFHSA-N 1 0 236.315 3.053 50 0 BGAARO C[C@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000033465773 356367770 /nfs/dbraw/zinc/36/77/70/356367770.db2.gz WVQNHLVEDPIIRS-VIFPVBQESA-N 1 0 236.315 3.053 50 0 BGAARO Cc1ccccc1C[NH2+]CCOc1ccccc1 ZINC000033469317 179280358 /nfs/dbraw/zinc/28/03/58/179280358.db2.gz YNQPNHCZUSYYCO-UHFFFAOYSA-N 1 0 241.334 3.164 50 0 BGAARO CC(C)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000033487044 343255306 /nfs/dbraw/zinc/25/53/06/343255306.db2.gz MSZDVAOFDODOOY-UHFFFAOYSA-N 1 0 218.127 3.230 50 0 BGAARO CC(C)([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000033487300 187256879 /nfs/dbraw/zinc/25/68/79/187256879.db2.gz AZEJGVWRTXUSHS-UHFFFAOYSA-N 1 0 204.100 3.187 50 0 BGAARO CC(C)([NH3+])c1c(Cl)cccc1Cl ZINC000033487301 190985178 /nfs/dbraw/zinc/98/51/78/190985178.db2.gz DRCMIKCSLJQIFX-UHFFFAOYSA-N 1 0 204.100 3.187 50 0 BGAARO Clc1cccc(Cl)c1C1CC[NH2+]CC1 ZINC000033487502 343255105 /nfs/dbraw/zinc/25/51/05/343255105.db2.gz SZSOOIJVCGFMHM-UHFFFAOYSA-N 1 0 230.138 3.460 50 0 BGAARO Clc1cccc(C2CC[NH2+]CC2)c1Cl ZINC000033487503 343255436 /nfs/dbraw/zinc/25/54/36/343255436.db2.gz YODQESWJUQGRPE-UHFFFAOYSA-N 1 0 230.138 3.460 50 0 BGAARO CCC[NH+](CCC)CC(=O)Nc1ccccc1C ZINC000033639688 169147284 /nfs/dbraw/zinc/14/72/84/169147284.db2.gz RAQSKSKSMUOXIZ-UHFFFAOYSA-N 1 0 248.370 3.056 50 0 BGAARO C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)cc1 ZINC000033647601 385256090 /nfs/dbraw/zinc/25/60/90/385256090.db2.gz IELBAACIVCODPI-VIFPVBQESA-N 1 0 239.746 3.299 50 0 in-vivo BGAARO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)cc1 ZINC000033647603 385256299 /nfs/dbraw/zinc/25/62/99/385256299.db2.gz IELBAACIVCODPI-SECBINFHSA-N 1 0 239.746 3.299 50 0 in-vivo BGAARO C(=C\c1ccccc1)\C[NH2+]Cc1ccco1 ZINC000033761101 166228342 /nfs/dbraw/zinc/22/83/42/166228342.db2.gz WDHMAQBFXIZWTE-YWEYNIOJSA-N 1 0 213.280 3.083 50 0 BGAARO CC[NH+](CC)CCOc1ccc(Cl)cc1 ZINC000033809174 350459334 /nfs/dbraw/zinc/45/93/34/350459334.db2.gz HWIJWVYJMZFHDN-UHFFFAOYSA-N 1 0 227.735 3.061 50 0 BGAARO C[C@@H]1C/C(=C/c2ccco2)[C@@H](C)[N@@H+](C)C1 ZINC000033821126 176047862 /nfs/dbraw/zinc/04/78/62/176047862.db2.gz ZVFSUINMTCQBSE-HPPFBBELSA-N 1 0 205.301 3.023 50 0 BGAARO CCC[C@]1(c2ccccc2)CC[N@H+](C)C1 ZINC000033868504 350248997 /nfs/dbraw/zinc/24/89/97/350248997.db2.gz KIOMVBQNULLWJJ-AWEZNQCLSA-N 1 0 203.329 3.060 50 0 BGAARO CCC[C@@]1(c2ccccc2)CC[N@H+](C)C1 ZINC000033868505 386058508 /nfs/dbraw/zinc/05/85/08/386058508.db2.gz KIOMVBQNULLWJJ-CQSZACIVSA-N 1 0 203.329 3.060 50 0 BGAARO C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000034117117 173200988 /nfs/dbraw/zinc/20/09/88/173200988.db2.gz NNVATDBGKYTMIL-INIZCTEOSA-N 1 0 223.319 3.264 50 0 BGAARO CC[C@](C)([NH2+]C(C)C)[P@@]1(=O)OCC[C@H](C)O1 ZINC000034132679 711951298 /nfs/dbraw/zinc/95/12/98/711951298.db2.gz JDZVLQCLZKNXOH-LYOVBCGYSA-N 1 0 249.291 3.129 50 0 BGAARO CC[C@](C)([NH2+]C(C)C)[P@]1(=O)OCC[C@H](C)O1 ZINC000034132683 711951330 /nfs/dbraw/zinc/95/13/30/711951330.db2.gz JDZVLQCLZKNXOH-USBNGQNGSA-N 1 0 249.291 3.129 50 0 BGAARO Clc1cccc(SC2CC[NH2+]CC2)c1 ZINC000034146559 180591993 /nfs/dbraw/zinc/59/19/93/180591993.db2.gz NVYWZAVYOVONSY-UHFFFAOYSA-N 1 0 227.760 3.184 50 0 BGAARO C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000034181751 173202378 /nfs/dbraw/zinc/20/23/78/173202378.db2.gz NNVATDBGKYTMIL-MRXNPFEDSA-N 1 0 223.319 3.264 50 0 BGAARO CC[NH+](CC)Cc1ccccc1Br ZINC000034182508 350257464 /nfs/dbraw/zinc/25/74/64/350257464.db2.gz UWEZDHCFQTZVMZ-UHFFFAOYSA-N 1 0 242.160 3.291 50 0 BGAARO [NH3+]Cc1ccccc1Sc1ccccc1 ZINC000034288514 343267866 /nfs/dbraw/zinc/26/78/66/343267866.db2.gz DJLYZQORDBVJFE-UHFFFAOYSA-N 1 0 215.321 3.297 50 0 BGAARO O=C(c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000034344015 343268318 /nfs/dbraw/zinc/26/83/18/343268318.db2.gz OIOBMQJYQZVOHW-UHFFFAOYSA-N 1 0 239.318 3.022 50 0 BGAARO C[NH+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000034411701 356367930 /nfs/dbraw/zinc/36/79/30/356367930.db2.gz MJWLTNXSPRLXPT-ZIAGYGMSSA-N 1 0 203.329 3.274 50 0 BGAARO C[NH+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000034411702 356367939 /nfs/dbraw/zinc/36/79/39/356367939.db2.gz MJWLTNXSPRLXPT-KGLIPLIRSA-N 1 0 203.329 3.274 50 0 BGAARO C[NH+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000034411703 356367932 /nfs/dbraw/zinc/36/79/32/356367932.db2.gz MJWLTNXSPRLXPT-UONOGXRCSA-N 1 0 203.329 3.274 50 0 BGAARO C[NH+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000034411704 356367843 /nfs/dbraw/zinc/36/78/43/356367843.db2.gz MJWLTNXSPRLXPT-KBPBESRZSA-N 1 0 203.329 3.274 50 0 BGAARO CC[C@@H](c1cccc(OC)c1)[C@@H](C)C[NH+](C)C ZINC000034428740 343270687 /nfs/dbraw/zinc/27/06/87/343270687.db2.gz JKVBTSJLQLSTHJ-SWLSCSKDSA-N 1 0 235.371 3.387 50 0 BGAARO Cc1[nH+]c2c(c3c1CCCC3)CCCC2 ZINC000034455392 180069517 /nfs/dbraw/zinc/06/95/17/180069517.db2.gz KAXLEJWWSAJDMP-UHFFFAOYSA-N 1 0 201.313 3.148 50 0 BGAARO [NH3+]CCc1ccccc1/C=C/c1ccccc1 ZINC000034496776 385284724 /nfs/dbraw/zinc/28/47/24/385284724.db2.gz YOEYIFAVNPRCLC-ZHACJKMWSA-N 1 0 223.319 3.358 50 0 BGAARO Cn1cc(C[NH2+]C(C)(C)C)c2ccccc21 ZINC000034503888 343273235 /nfs/dbraw/zinc/27/32/35/343273235.db2.gz RLASLJGWTKZVBU-UHFFFAOYSA-N 1 0 216.328 3.066 50 0 BGAARO O=C1CCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000034577103 368376514 /nfs/dbraw/zinc/37/65/14/368376514.db2.gz RDDQPGLSXUKHJS-MRXNPFEDSA-N 1 0 243.350 3.022 50 0 BGAARO O=C1CCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000034577104 368376180 /nfs/dbraw/zinc/37/61/80/368376180.db2.gz RDDQPGLSXUKHJS-INIZCTEOSA-N 1 0 243.350 3.022 50 0 BGAARO C[NH2+]Cc1ccccc1Oc1ccc(F)cc1F ZINC000034664229 323235916 /nfs/dbraw/zinc/23/59/16/323235916.db2.gz DJNXHZDWTQNOFK-UHFFFAOYSA-N 1 0 249.260 3.477 50 0 BGAARO C[NH2+]Cc1ccccc1Oc1ccccc1F ZINC000034664463 173390850 /nfs/dbraw/zinc/39/08/50/173390850.db2.gz HMEYGJMCARLPBU-UHFFFAOYSA-N 1 0 231.270 3.337 50 0 BGAARO C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000034664746 343277064 /nfs/dbraw/zinc/27/70/64/343277064.db2.gz WAZIFKDDIMDDLA-UHFFFAOYSA-N 1 0 231.270 3.337 50 0 BGAARO CC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000034815321 170125381 /nfs/dbraw/zinc/12/53/81/170125381.db2.gz CKXKNRMRHNCOKV-UHFFFAOYSA-N 1 0 227.735 3.237 50 0 BGAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000034815658 385291146 /nfs/dbraw/zinc/29/11/46/385291146.db2.gz YBUACCMWIFFKGM-UHFFFAOYSA-N 1 0 239.746 3.379 50 0 BGAARO CCOc1cc(C[NH2+]C2CC2)ccc1OC(C)C ZINC000034815902 385290809 /nfs/dbraw/zinc/29/08/09/385290809.db2.gz XUDRVBFNOUYCKW-UHFFFAOYSA-N 1 0 249.354 3.125 50 0 BGAARO O=[N+](/C=C\N(O)c1ccccc1)c1ccccc1 ZINC000034889693 342733009 /nfs/dbraw/zinc/73/30/09/342733009.db2.gz PCKNDIROCAMKKV-QXMHVHEDSA-N 1 0 241.270 3.464 50 0 BGAARO C(=C\c1ccccc1)\C[NH2+]C1CCCC1 ZINC000034894975 166227808 /nfs/dbraw/zinc/22/78/08/166227808.db2.gz VAYFRYMBJFBVKQ-TWGQIWQCSA-N 1 0 201.313 3.232 50 0 BGAARO Cc1ccc2oc(C3CCC(C[NH3+])CC3)nc2c1 ZINC000034924858 178988520 /nfs/dbraw/zinc/98/85/20/178988520.db2.gz DAZIVKWNLZVHJC-UHFFFAOYSA-N 1 0 244.338 3.369 50 0 BGAARO COc1ccccc1/C=C/C[NH2+]C(C)(C)C ZINC000034929056 342733265 /nfs/dbraw/zinc/73/32/65/342733265.db2.gz JRXVIYXMGDKXNE-VQHVLOKHSA-N 1 0 219.328 3.097 50 0 BGAARO Cc1cc(C[NH3+])c(C)n1[C@@H](C)c1ccccc1 ZINC000034936132 343280838 /nfs/dbraw/zinc/28/08/38/343280838.db2.gz NSMROCHPPHCHIU-LBPRGKRZSA-N 1 0 228.339 3.173 50 0 BGAARO Cc1cc(C[NH3+])c(C)n1[C@H](C)c1ccccc1 ZINC000034936133 343280735 /nfs/dbraw/zinc/28/07/35/343280735.db2.gz NSMROCHPPHCHIU-GFCCVEGCSA-N 1 0 228.339 3.173 50 0 BGAARO Clc1ccc2[nH]c([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000034939099 343281594 /nfs/dbraw/zinc/28/15/94/343281594.db2.gz WKAVCCNOWLMUFI-JTQLQIEISA-N 1 0 235.718 3.031 50 0 BGAARO Clc1ccc2[nH]c([C@H]3CCCC[NH2+]3)nc2c1 ZINC000034939100 343281567 /nfs/dbraw/zinc/28/15/67/343281567.db2.gz WKAVCCNOWLMUFI-SNVBAGLBSA-N 1 0 235.718 3.031 50 0 BGAARO [NH3+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000034940521 181362758 /nfs/dbraw/zinc/36/27/58/181362758.db2.gz VZMRAPSRBGTZOB-UHFFFAOYSA-N 1 0 243.272 3.476 50 0 BGAARO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000034957280 169320656 /nfs/dbraw/zinc/32/06/56/169320656.db2.gz BXHAESXPQUHRTB-LSDHHAIUSA-N 1 0 249.354 3.124 50 0 BGAARO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000034957281 169320934 /nfs/dbraw/zinc/32/09/34/169320934.db2.gz BXHAESXPQUHRTB-GJZGRUSLSA-N 1 0 249.354 3.124 50 0 BGAARO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000034957282 169321020 /nfs/dbraw/zinc/32/10/20/169321020.db2.gz BXHAESXPQUHRTB-HUUCEWRRSA-N 1 0 249.354 3.124 50 0 BGAARO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000034957283 169320753 /nfs/dbraw/zinc/32/07/53/169320753.db2.gz BXHAESXPQUHRTB-CABCVRRESA-N 1 0 249.354 3.124 50 0 BGAARO [NH3+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000034958980 343281858 /nfs/dbraw/zinc/28/18/58/343281858.db2.gz BDERHEVTDJWPSK-LLVKDONJSA-N 1 0 240.144 3.249 50 0 BGAARO [NH3+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000034958981 343281855 /nfs/dbraw/zinc/28/18/55/343281855.db2.gz BDERHEVTDJWPSK-NSHDSACASA-N 1 0 240.144 3.249 50 0 BGAARO Cc1ccc(C)c(OCCC2CC[NH2+]CC2)c1 ZINC000034972607 383822309 /nfs/dbraw/zinc/82/23/09/383822309.db2.gz NGOAFJQTHYXJEH-UHFFFAOYSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cc(C)cc(OCCC2CC[NH2+]CC2)c1 ZINC000034972609 343281959 /nfs/dbraw/zinc/28/19/59/343281959.db2.gz KITFRZBGUHCRFH-UHFFFAOYSA-N 1 0 233.355 3.072 50 0 BGAARO [NH3+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000034975005 343282469 /nfs/dbraw/zinc/28/24/69/343282469.db2.gz OKOKIKPWTOMPEX-MRVPVSSYSA-N 1 0 232.110 3.166 50 0 BGAARO [NH3+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000034975006 343282178 /nfs/dbraw/zinc/28/21/78/343282178.db2.gz OKOKIKPWTOMPEX-QMMMGPOBSA-N 1 0 232.110 3.166 50 0 BGAARO Clc1cc2[nH]c3c(c2c(Cl)c1)C[NH2+]CC3 ZINC000034985412 180574885 /nfs/dbraw/zinc/57/48/85/180574885.db2.gz BARUHFAXIXORGM-UHFFFAOYSA-N 1 0 241.121 3.120 50 0 BGAARO Cc1ccc(C[NH2+]CCC(C)C)cc1C ZINC000034991025 343282327 /nfs/dbraw/zinc/28/23/27/343282327.db2.gz WWNSLIQISGQVOO-UHFFFAOYSA-N 1 0 205.345 3.439 50 0 BGAARO Cc1cc(C)c(C[NH2+]CC(C)C)cc1C ZINC000034991117 383822138 /nfs/dbraw/zinc/82/21/38/383822138.db2.gz VDPUGCQUSXUZMX-UHFFFAOYSA-N 1 0 205.345 3.357 50 0 BGAARO Cc1ccc(C[NH2+]C2CCCC2)cc1C ZINC000034991145 343282259 /nfs/dbraw/zinc/28/22/59/343282259.db2.gz TWJMVZYLYJOSTI-UHFFFAOYSA-N 1 0 203.329 3.336 50 0 BGAARO c1ccc(N2CCCC2)c(C[NH2+]C2CCCC2)c1 ZINC000034991149 183414356 /nfs/dbraw/zinc/41/43/56/183414356.db2.gz NIJWBACQZPEDDD-UHFFFAOYSA-N 1 0 244.382 3.319 50 0 BGAARO Cc1ccc(C[NH2+][C@@H](C)C(C)C)cc1C ZINC000034991989 343282862 /nfs/dbraw/zinc/28/28/62/343282862.db2.gz RCRVPXOEYRLBCW-ZDUSSCGKSA-N 1 0 205.345 3.438 50 0 BGAARO Cc1ccc(C[NH2+][C@H](C)C(C)C)cc1C ZINC000034991990 343282830 /nfs/dbraw/zinc/28/28/30/343282830.db2.gz RCRVPXOEYRLBCW-CYBMUJFWSA-N 1 0 205.345 3.438 50 0 BGAARO CC(C)[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000035015840 187257492 /nfs/dbraw/zinc/25/74/92/187257492.db2.gz DRMZMRXMTQZBCZ-INIZCTEOSA-N 1 0 246.398 3.068 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000035042949 383825078 /nfs/dbraw/zinc/82/50/78/383825078.db2.gz ACNNHBXTGWFQGW-CYBMUJFWSA-N 1 0 205.345 3.500 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000035042952 171342073 /nfs/dbraw/zinc/34/20/73/171342073.db2.gz ACNNHBXTGWFQGW-ZDUSSCGKSA-N 1 0 205.345 3.500 50 0 BGAARO CC(C)CC[NH2+]Cc1cccc(F)c1F ZINC000035054695 383825202 /nfs/dbraw/zinc/82/52/02/383825202.db2.gz YMPUQXWHFBZUPM-UHFFFAOYSA-N 1 0 213.271 3.101 50 0 BGAARO CCC(CC)[NH2+]Cc1cccc(F)c1F ZINC000035054712 168390096 /nfs/dbraw/zinc/39/00/96/168390096.db2.gz CNZBHKDWVUTCAI-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1N ZINC000035057893 383824567 /nfs/dbraw/zinc/82/45/67/383824567.db2.gz GPBREKFEEPNWGS-UHFFFAOYSA-N 1 0 244.313 3.040 50 0 BGAARO CCOCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000035151211 383834268 /nfs/dbraw/zinc/83/42/68/383834268.db2.gz XSJGGUGUSAUANB-JTQLQIEISA-N 1 0 227.735 3.027 50 0 BGAARO CCOCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000035151212 383832567 /nfs/dbraw/zinc/83/25/67/383832567.db2.gz XSJGGUGUSAUANB-SNVBAGLBSA-N 1 0 227.735 3.027 50 0 BGAARO CCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000035151213 383835168 /nfs/dbraw/zinc/83/51/68/383835168.db2.gz JTTVVJISXZTBBG-JTQLQIEISA-N 1 0 227.735 3.027 50 0 BGAARO CCOCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000035151214 383834170 /nfs/dbraw/zinc/83/41/70/383834170.db2.gz JTTVVJISXZTBBG-SNVBAGLBSA-N 1 0 227.735 3.027 50 0 BGAARO CC(C)[NH+](Cc1nc2ccccc2n1C)C(C)C ZINC000035167706 386504822 /nfs/dbraw/zinc/50/48/22/386504822.db2.gz XIYBSLLCFVERGE-UHFFFAOYSA-N 1 0 245.370 3.192 50 0 BGAARO Cc1ccc(-c2nc3ccc(C)cn3c2N)cc1 ZINC000035181259 178337557 /nfs/dbraw/zinc/33/75/57/178337557.db2.gz CNETYVDTAQUDFF-UHFFFAOYSA-N 1 0 237.306 3.200 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000035222859 167381753 /nfs/dbraw/zinc/38/17/53/167381753.db2.gz QIKOWKXKAOHYRR-SECBINFHSA-N 1 0 213.271 3.099 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000035222860 343290583 /nfs/dbraw/zinc/29/05/83/343290583.db2.gz QIKOWKXKAOHYRR-VIFPVBQESA-N 1 0 213.271 3.099 50 0 BGAARO CCC(C)(C)[NH2+]Cc1cccc(F)c1F ZINC000035223696 168298924 /nfs/dbraw/zinc/29/89/24/168298924.db2.gz ULAFCEUAXUPGNL-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000035234373 176143346 /nfs/dbraw/zinc/14/33/46/176143346.db2.gz ZZRJRKRVAHPYGR-PWSUYJOCSA-N 1 0 213.390 3.050 50 0 BGAARO C[C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000035234374 177136187 /nfs/dbraw/zinc/13/61/87/177136187.db2.gz ZZRJRKRVAHPYGR-JQWIXIFHSA-N 1 0 213.390 3.050 50 0 BGAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000035234375 176123683 /nfs/dbraw/zinc/12/36/83/176123683.db2.gz ZZRJRKRVAHPYGR-ZYHUDNBSSA-N 1 0 213.390 3.050 50 0 BGAARO C[C@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000035234376 188111952 /nfs/dbraw/zinc/11/19/52/188111952.db2.gz ZZRJRKRVAHPYGR-CMPLNLGQSA-N 1 0 213.390 3.050 50 0 BGAARO Cc1cc(C)c(C[NH2+]C(C)(C)C)cc1C ZINC000035257233 383845831 /nfs/dbraw/zinc/84/58/31/383845831.db2.gz IPYCDXMPTDFVOI-UHFFFAOYSA-N 1 0 205.345 3.500 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1ccc(Cl)s1 ZINC000035285573 383847555 /nfs/dbraw/zinc/84/75/55/383847555.db2.gz XJFCMPQVEAEAMY-LURJTMIESA-N 1 0 201.722 3.215 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1ccc(Cl)s1 ZINC000035285574 383849103 /nfs/dbraw/zinc/84/91/03/383849103.db2.gz XJFCMPQVEAEAMY-ZCFIWIBFSA-N 1 0 201.722 3.215 50 0 BGAARO COC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035285698 343292425 /nfs/dbraw/zinc/29/24/25/343292425.db2.gz YUSAORJHGFBSEG-YUMQZZPRSA-N 1 0 233.764 3.087 50 0 BGAARO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035285699 383849030 /nfs/dbraw/zinc/84/90/30/383849030.db2.gz YUSAORJHGFBSEG-SFYZADRCSA-N 1 0 233.764 3.087 50 0 BGAARO COC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035285701 343292397 /nfs/dbraw/zinc/29/23/97/343292397.db2.gz YUSAORJHGFBSEG-JGVFFNPUSA-N 1 0 233.764 3.087 50 0 BGAARO COC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035285702 383848376 /nfs/dbraw/zinc/84/83/76/383848376.db2.gz YUSAORJHGFBSEG-HTQZYQBOSA-N 1 0 233.764 3.087 50 0 BGAARO [NH3+]Cc1ccc(Nc2noc3ccccc32)cc1 ZINC000035287375 383849517 /nfs/dbraw/zinc/84/95/17/383849517.db2.gz CYDPSHVPEJBKGM-UHFFFAOYSA-N 1 0 239.278 3.030 50 0 BGAARO CCC[NH+](CCC)Cc1cc(F)ccc1N ZINC000035308403 169148328 /nfs/dbraw/zinc/14/83/28/169148328.db2.gz IEZBWKONFWRRJB-UHFFFAOYSA-N 1 0 224.323 3.030 50 0 BGAARO C[N@H+](Cc1cc(F)ccc1N)C1CCCCC1 ZINC000035308416 383851941 /nfs/dbraw/zinc/85/19/41/383851941.db2.gz VOJRTHUMAMHVOK-UHFFFAOYSA-N 1 0 236.334 3.172 50 0 BGAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1N ZINC000035308507 343293633 /nfs/dbraw/zinc/29/36/33/343293633.db2.gz HLHSYCDLPBUZRL-CYBMUJFWSA-N 1 0 236.334 3.172 50 0 BGAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1N ZINC000035308509 171608316 /nfs/dbraw/zinc/60/83/16/171608316.db2.gz HLHSYCDLPBUZRL-ZDUSSCGKSA-N 1 0 236.334 3.172 50 0 BGAARO C[N@@H+](Cc1ccccc1N)CC1CCCCC1 ZINC000035360833 383856007 /nfs/dbraw/zinc/85/60/07/383856007.db2.gz ATBKNTDXUWAMPI-UHFFFAOYSA-N 1 0 232.371 3.281 50 0 BGAARO C[NH2+][C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000035464239 383860053 /nfs/dbraw/zinc/86/00/53/383860053.db2.gz HGDHOPJXVGUTHO-ZDUSSCGKSA-N 1 0 232.714 3.044 50 0 BGAARO C[NH2+][C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000035464241 383859511 /nfs/dbraw/zinc/85/95/11/383859511.db2.gz HGDHOPJXVGUTHO-CYBMUJFWSA-N 1 0 232.714 3.044 50 0 BGAARO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035464244 173427539 /nfs/dbraw/zinc/42/75/39/173427539.db2.gz ZCWNSRUAXBAJPY-ZDUSSCGKSA-N 1 0 232.714 3.044 50 0 BGAARO C[NH2+][C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035464246 383860226 /nfs/dbraw/zinc/86/02/26/383860226.db2.gz ZCWNSRUAXBAJPY-CYBMUJFWSA-N 1 0 232.714 3.044 50 0 BGAARO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035540234 170147542 /nfs/dbraw/zinc/14/75/42/170147542.db2.gz MMCPNFMAYPRUER-AWEZNQCLSA-N 1 0 246.741 3.434 50 0 BGAARO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035540235 170164106 /nfs/dbraw/zinc/16/41/06/170164106.db2.gz MMCPNFMAYPRUER-CQSZACIVSA-N 1 0 246.741 3.434 50 0 BGAARO CC[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000035541014 170147969 /nfs/dbraw/zinc/14/79/69/170147969.db2.gz GFBNKMZAVLMOPU-HNNXBMFYSA-N 1 0 226.323 3.089 50 0 BGAARO CC[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000035541015 170163041 /nfs/dbraw/zinc/16/30/41/170163041.db2.gz GFBNKMZAVLMOPU-OAHLLOKOSA-N 1 0 226.323 3.089 50 0 BGAARO CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000035547384 170148629 /nfs/dbraw/zinc/14/86/29/170148629.db2.gz JXEMYXOELWAHNO-AWEZNQCLSA-N 1 0 248.276 3.059 50 0 BGAARO CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000035547386 170164618 /nfs/dbraw/zinc/16/46/18/170164618.db2.gz JXEMYXOELWAHNO-CQSZACIVSA-N 1 0 248.276 3.059 50 0 BGAARO CC[NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000035548805 170164930 /nfs/dbraw/zinc/16/49/30/170164930.db2.gz OEVZLVABUDLBFW-AWEZNQCLSA-N 1 0 248.276 3.059 50 0 BGAARO CC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000035548809 170148515 /nfs/dbraw/zinc/14/85/15/170148515.db2.gz OEVZLVABUDLBFW-CQSZACIVSA-N 1 0 248.276 3.059 50 0 BGAARO CC[NH2+][C@@H](c1ccc(CC)cc1)c1cccnc1 ZINC000035549425 170147305 /nfs/dbraw/zinc/14/73/05/170147305.db2.gz ADOMPSJVIVDBKD-INIZCTEOSA-N 1 0 240.350 3.343 50 0 BGAARO CC[NH2+][C@H](c1ccc(CC)cc1)c1cccnc1 ZINC000035549428 170163192 /nfs/dbraw/zinc/16/31/92/170163192.db2.gz ADOMPSJVIVDBKD-MRXNPFEDSA-N 1 0 240.350 3.343 50 0 BGAARO CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000035574804 169280233 /nfs/dbraw/zinc/28/02/33/169280233.db2.gz XLXZBHCFSIPBLA-HNNXBMFYSA-N 1 0 244.313 3.310 50 0 BGAARO CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000035574806 169289787 /nfs/dbraw/zinc/28/97/87/169289787.db2.gz XLXZBHCFSIPBLA-OAHLLOKOSA-N 1 0 244.313 3.310 50 0 BGAARO C[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000035630652 173385321 /nfs/dbraw/zinc/38/53/21/173385321.db2.gz UUWKYLMEGPPBLU-UHFFFAOYSA-N 1 0 229.323 3.346 50 0 BGAARO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC1)CCCO2 ZINC000035653477 178286488 /nfs/dbraw/zinc/28/64/88/178286488.db2.gz ORVVMJGKUGZUAA-AWEZNQCLSA-N 1 0 231.339 3.269 50 0 BGAARO Cc1cc2c(cc1C)[C@H]([NH2+]C1CC1)CCCO2 ZINC000035653479 178287387 /nfs/dbraw/zinc/28/73/87/178287387.db2.gz ORVVMJGKUGZUAA-CQSZACIVSA-N 1 0 231.339 3.269 50 0 BGAARO Cc1cc(C)c([C@]2(C)[NH2+]CCS2)c(C)c1 ZINC000035653665 387248453 /nfs/dbraw/zinc/24/84/53/387248453.db2.gz PZJGAGAQAWXYDL-CYBMUJFWSA-N 1 0 221.369 3.121 50 0 BGAARO Cc1cc(C)c([C@@]2(C)[NH2+]CCS2)c(C)c1 ZINC000035653667 387248508 /nfs/dbraw/zinc/24/85/08/387248508.db2.gz PZJGAGAQAWXYDL-ZDUSSCGKSA-N 1 0 221.369 3.121 50 0 BGAARO Fc1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000035657928 181011423 /nfs/dbraw/zinc/01/14/23/181011423.db2.gz UIATZNMHDAJCTC-UHFFFAOYSA-N 1 0 241.309 3.083 50 0 BGAARO c1csc(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000035658041 343301478 /nfs/dbraw/zinc/30/14/78/343301478.db2.gz XXIPRPBXMPLBMS-UHFFFAOYSA-N 1 0 229.348 3.005 50 0 BGAARO [NH3+]Cc1ccc(Sc2ccccc2)cc1 ZINC000035719996 343302489 /nfs/dbraw/zinc/30/24/89/343302489.db2.gz OEDXLXUXHSCZKP-UHFFFAOYSA-N 1 0 215.321 3.297 50 0 BGAARO CC(C)c1ccc([C@@H]2[NH2+]CCS2)cc1 ZINC000035815865 343304795 /nfs/dbraw/zinc/30/47/95/343304795.db2.gz XRIHLVSNYUXWIY-GFCCVEGCSA-N 1 0 207.342 3.145 50 0 BGAARO CC(C)c1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000035815869 343304946 /nfs/dbraw/zinc/30/49/46/343304946.db2.gz XRIHLVSNYUXWIY-LBPRGKRZSA-N 1 0 207.342 3.145 50 0 BGAARO Clc1cc2c3c([nH]c2c(Cl)c1)CC[NH2+]C3 ZINC000035971023 343306192 /nfs/dbraw/zinc/30/61/92/343306192.db2.gz MBXQRCWBOMLYSL-UHFFFAOYSA-N 1 0 241.121 3.120 50 0 BGAARO CC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)CC(C)C ZINC000036094940 360593934 /nfs/dbraw/zinc/59/39/34/360593934.db2.gz BSITWVJQKUVHGZ-INIZCTEOSA-N 1 0 249.398 3.224 50 0 BGAARO CC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)CC(C)C ZINC000036094941 343632975 /nfs/dbraw/zinc/63/29/75/343632975.db2.gz BSITWVJQKUVHGZ-MRXNPFEDSA-N 1 0 249.398 3.224 50 0 BGAARO CC[C@H](O)C[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100407 360599852 /nfs/dbraw/zinc/59/98/52/360599852.db2.gz YHSFHXOWQQKBQJ-INIZCTEOSA-N 1 0 249.398 3.224 50 0 BGAARO CC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100409 360599783 /nfs/dbraw/zinc/59/97/83/360599783.db2.gz YHSFHXOWQQKBQJ-MRXNPFEDSA-N 1 0 249.398 3.224 50 0 BGAARO CCC[C@H](O)C[N@H+](CCC)Cc1cccc(C)c1 ZINC000036100570 360599589 /nfs/dbraw/zinc/59/95/89/360599589.db2.gz NQATUIRYNFTQFQ-INIZCTEOSA-N 1 0 249.398 3.368 50 0 BGAARO CCC[C@@H](O)C[N@H+](CCC)Cc1cccc(C)c1 ZINC000036100572 387611688 /nfs/dbraw/zinc/61/16/88/387611688.db2.gz NQATUIRYNFTQFQ-MRXNPFEDSA-N 1 0 249.398 3.368 50 0 BGAARO Cc1ccc(O[C@@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000036142117 383884300 /nfs/dbraw/zinc/88/43/00/383884300.db2.gz PDOXFHHKYFTBMH-GFCCVEGCSA-N 1 0 233.355 3.033 50 0 BGAARO Cc1ccc(O[C@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000036142118 383884399 /nfs/dbraw/zinc/88/43/99/383884399.db2.gz PDOXFHHKYFTBMH-LBPRGKRZSA-N 1 0 233.355 3.033 50 0 BGAARO Fc1cccc(Cl)c1CC1CC[NH2+]CC1 ZINC000036155495 180999167 /nfs/dbraw/zinc/99/91/67/180999167.db2.gz DEEURGUWNFGESJ-UHFFFAOYSA-N 1 0 227.710 3.021 50 0 BGAARO COc1ccc(Cl)cc1[C@@H]([NH3+])CC(C)C ZINC000036161949 175122319 /nfs/dbraw/zinc/12/23/19/175122319.db2.gz YVBXDOZDXCKDTR-NSHDSACASA-N 1 0 227.735 3.395 50 0 BGAARO COc1ccc(Cl)cc1[C@H]([NH3+])CC(C)C ZINC000036161952 175123345 /nfs/dbraw/zinc/12/33/45/175123345.db2.gz YVBXDOZDXCKDTR-LLVKDONJSA-N 1 0 227.735 3.395 50 0 BGAARO CCOCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000036228563 383889943 /nfs/dbraw/zinc/88/99/43/383889943.db2.gz DJFGLKRCEDVTCS-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO CCOCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000036228829 383890572 /nfs/dbraw/zinc/89/05/72/383890572.db2.gz LYLVMMOXEBAVOD-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO CCOCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000036228846 383888704 /nfs/dbraw/zinc/88/87/04/383888704.db2.gz GYBIITVJXGTMIT-QMMMGPOBSA-N 1 0 233.764 3.089 50 0 BGAARO CCOCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000036228849 383891229 /nfs/dbraw/zinc/89/12/29/383891229.db2.gz GYBIITVJXGTMIT-MRVPVSSYSA-N 1 0 233.764 3.089 50 0 BGAARO [NH3+][C@@H]1CCOc2ccc(-c3ccccc3)cc21 ZINC000036230411 383889114 /nfs/dbraw/zinc/88/91/14/383889114.db2.gz YLGUZMFVKJYYKI-CQSZACIVSA-N 1 0 225.291 3.136 50 0 BGAARO [NH3+][C@H]1CCOc2ccc(-c3ccccc3)cc21 ZINC000036230412 181653510 /nfs/dbraw/zinc/65/35/10/181653510.db2.gz YLGUZMFVKJYYKI-AWEZNQCLSA-N 1 0 225.291 3.136 50 0 BGAARO Cc1cc(N)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000036241496 488243134 /nfs/dbraw/zinc/24/31/34/488243134.db2.gz KKRWOZMSAZEQDC-UHFFFAOYSA-N 1 0 247.729 3.238 50 0 BGAARO c1ccc([C@H]([NH2+]CC2CC2)c2ccncc2)cc1 ZINC000036303071 387907248 /nfs/dbraw/zinc/90/72/48/387907248.db2.gz OCXKJNPMDIOVFG-INIZCTEOSA-N 1 0 238.334 3.171 50 0 BGAARO c1ccc([C@@H]([NH2+]CC2CC2)c2ccncc2)cc1 ZINC000036303074 387906042 /nfs/dbraw/zinc/90/60/42/387906042.db2.gz OCXKJNPMDIOVFG-MRXNPFEDSA-N 1 0 238.334 3.171 50 0 BGAARO c1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036367789 388011680 /nfs/dbraw/zinc/01/16/80/388011680.db2.gz CALHSQUIBYAYLG-GOEBONIOSA-N 1 0 245.366 3.330 50 0 BGAARO C[NH2+]CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000036378502 173345345 /nfs/dbraw/zinc/34/53/45/173345345.db2.gz QBOWSXKLIUXQNY-UHFFFAOYSA-N 1 0 243.354 3.009 50 0 BGAARO CCc1cccc2c(C3CC[NH2+]CC3)c[nH]c21 ZINC000036379753 171867515 /nfs/dbraw/zinc/86/75/15/171867515.db2.gz UNCXOQBRFONUFS-UHFFFAOYSA-N 1 0 228.339 3.197 50 0 in-vitro BGAARO [NH3+]Cc1ccc(-c2cccs2)cc1F ZINC000036379936 383900890 /nfs/dbraw/zinc/90/08/90/383900890.db2.gz VOAXIXCWLWLIFX-UHFFFAOYSA-N 1 0 207.273 3.013 50 0 BGAARO Cc1oc(-c2ccccc2)nc1C[NH+]1CCCC1 ZINC000036393502 358461283 /nfs/dbraw/zinc/46/12/83/358461283.db2.gz JWFYUHFMIOUXPI-UHFFFAOYSA-N 1 0 242.322 3.246 50 0 BGAARO CCc1ccccc1OCCC1CC[NH2+]CC1 ZINC000036669481 171890715 /nfs/dbraw/zinc/89/07/15/171890715.db2.gz VMKGSQMYACHIBF-UHFFFAOYSA-N 1 0 233.355 3.018 50 0 BGAARO C[C@H]1[NH2+]C(C)(C)CO[C@H]1c1cccc(Cl)c1 ZINC000036673006 383907955 /nfs/dbraw/zinc/90/79/55/383907955.db2.gz KLPHSXVQSDRPPX-BXKDBHETSA-N 1 0 239.746 3.168 50 0 BGAARO C[C@@H]1[NH2+]C(C)(C)CO[C@H]1c1cccc(Cl)c1 ZINC000036673007 383907829 /nfs/dbraw/zinc/90/78/29/383907829.db2.gz KLPHSXVQSDRPPX-JOYOIKCWSA-N 1 0 239.746 3.168 50 0 BGAARO C[C@H]1[NH2+]C(C)(C)CO[C@@H]1c1cccc(Cl)c1 ZINC000036673008 383905752 /nfs/dbraw/zinc/90/57/52/383905752.db2.gz KLPHSXVQSDRPPX-SKDRFNHKSA-N 1 0 239.746 3.168 50 0 BGAARO C[C@@H]1[NH2+]C(C)(C)CO[C@@H]1c1cccc(Cl)c1 ZINC000036673009 383907286 /nfs/dbraw/zinc/90/72/86/383907286.db2.gz KLPHSXVQSDRPPX-CABZTGNLSA-N 1 0 239.746 3.168 50 0 BGAARO CCC[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000036778611 169369818 /nfs/dbraw/zinc/36/98/18/169369818.db2.gz VUCIXASPKMFTOZ-LLVKDONJSA-N 1 0 209.308 3.146 50 0 BGAARO CCC[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000036778612 383910075 /nfs/dbraw/zinc/91/00/75/383910075.db2.gz VUCIXASPKMFTOZ-NSHDSACASA-N 1 0 209.308 3.146 50 0 BGAARO CC(C)[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000036778697 167381579 /nfs/dbraw/zinc/38/15/79/167381579.db2.gz MGSZKIICRNQELE-LLVKDONJSA-N 1 0 209.308 3.002 50 0 BGAARO CC(C)[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000036778698 383910358 /nfs/dbraw/zinc/91/03/58/383910358.db2.gz MGSZKIICRNQELE-NSHDSACASA-N 1 0 209.308 3.002 50 0 BGAARO Cc1cc(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000036829408 358463826 /nfs/dbraw/zinc/46/38/26/358463826.db2.gz BTLJWDAPMQIDAD-NSHDSACASA-N 1 0 240.144 3.182 50 0 BGAARO Cc1cc(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000036829409 358463379 /nfs/dbraw/zinc/46/33/79/358463379.db2.gz BTLJWDAPMQIDAD-LLVKDONJSA-N 1 0 240.144 3.182 50 0 BGAARO Cc1[nH]c([C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000036872216 187259288 /nfs/dbraw/zinc/25/92/88/187259288.db2.gz GRKGJDSEKJYNTE-SSDOTTSWSA-N 1 0 235.718 3.058 50 0 BGAARO Cc1[nH]c([C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000036872217 343325985 /nfs/dbraw/zinc/32/59/85/343325985.db2.gz GRKGJDSEKJYNTE-ZETCQYMHSA-N 1 0 235.718 3.058 50 0 BGAARO Clc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000036874055 343326019 /nfs/dbraw/zinc/32/60/19/343326019.db2.gz BXLWAFPKGUCLLT-NSHDSACASA-N 1 0 247.729 3.155 50 0 BGAARO Clc1ccc(-c2c[nH]c([C@H]3CCC[NH2+]3)n2)cc1 ZINC000036874056 343325686 /nfs/dbraw/zinc/32/56/86/343325686.db2.gz BXLWAFPKGUCLLT-LLVKDONJSA-N 1 0 247.729 3.155 50 0 BGAARO Clc1ccccc1-c1c[nH]c([C@@H]2CCC[NH2+]2)n1 ZINC000036874120 343325695 /nfs/dbraw/zinc/32/56/95/343325695.db2.gz QSGXOZUQLZOLGF-NSHDSACASA-N 1 0 247.729 3.155 50 0 BGAARO Clc1ccccc1-c1c[nH]c([C@H]2CCC[NH2+]2)n1 ZINC000036874121 343325992 /nfs/dbraw/zinc/32/59/92/343325992.db2.gz QSGXOZUQLZOLGF-LLVKDONJSA-N 1 0 247.729 3.155 50 0 BGAARO Cc1ccc(-c2c[nH]c([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000036876657 178317881 /nfs/dbraw/zinc/31/78/81/178317881.db2.gz MOOGCAQAJNQXGL-ZDUSSCGKSA-N 1 0 241.338 3.200 50 0 BGAARO Cc1ccc(-c2c[nH]c([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000036876658 178318132 /nfs/dbraw/zinc/31/81/32/178318132.db2.gz MOOGCAQAJNQXGL-CYBMUJFWSA-N 1 0 241.338 3.200 50 0 BGAARO Fc1cccc(-c2c[nH]c([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000036876673 343326233 /nfs/dbraw/zinc/32/62/33/343326233.db2.gz XISYJXAIEKMGPA-LBPRGKRZSA-N 1 0 245.301 3.030 50 0 BGAARO Fc1cccc(-c2c[nH]c([C@H]3CCCC[NH2+]3)n2)c1 ZINC000036876674 343326337 /nfs/dbraw/zinc/32/63/37/343326337.db2.gz XISYJXAIEKMGPA-GFCCVEGCSA-N 1 0 245.301 3.030 50 0 BGAARO CC(C)(C)Oc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000036889116 343326265 /nfs/dbraw/zinc/32/62/65/343326265.db2.gz LJMNWNQABBSGBI-UHFFFAOYSA-N 1 0 247.260 3.341 50 0 BGAARO CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000036895976 343326837 /nfs/dbraw/zinc/32/68/37/343326837.db2.gz AIUFMZGXIZBXFE-LBPRGKRZSA-N 1 0 229.327 3.042 50 0 BGAARO CC(C)n1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000036895977 343326738 /nfs/dbraw/zinc/32/67/38/343326738.db2.gz AIUFMZGXIZBXFE-GFCCVEGCSA-N 1 0 229.327 3.042 50 0 BGAARO CC(C)[C@H]([NH3+])c1nc2ccccc2n1C(C)C ZINC000036895979 343326566 /nfs/dbraw/zinc/32/65/66/343326566.db2.gz GLGRAKFPBPEDIZ-ZDUSSCGKSA-N 1 0 231.343 3.273 50 0 BGAARO CC(C)[C@@H]([NH3+])c1nc2ccccc2n1C(C)C ZINC000036895980 383916054 /nfs/dbraw/zinc/91/60/54/383916054.db2.gz GLGRAKFPBPEDIZ-CYBMUJFWSA-N 1 0 231.343 3.273 50 0 BGAARO Cc1ccc(-n2c(N)[nH+]c3cc(C)ccc32)cc1 ZINC000036899516 178346517 /nfs/dbraw/zinc/34/65/17/178346517.db2.gz XYYFOPBRFCZTSM-UHFFFAOYSA-N 1 0 237.306 3.225 50 0 BGAARO C[C@H]([NH3+])c1ccc(Oc2cccnc2)c(F)c1 ZINC000036904268 343327321 /nfs/dbraw/zinc/32/73/21/343327321.db2.gz GQWYXJPIQLHVQO-VIFPVBQESA-N 1 0 232.258 3.033 50 0 BGAARO C[C@@H]([NH3+])c1ccc(Oc2cccnc2)c(F)c1 ZINC000036904269 383921605 /nfs/dbraw/zinc/92/16/05/383921605.db2.gz GQWYXJPIQLHVQO-SECBINFHSA-N 1 0 232.258 3.033 50 0 BGAARO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000036906444 181333660 /nfs/dbraw/zinc/33/36/60/181333660.db2.gz YRMXYMIMWFKYSY-UHFFFAOYSA-N 1 0 215.218 3.043 50 0 BGAARO CCC[NH2+]Cc1ccc(Br)cc1F ZINC000036923315 169266628 /nfs/dbraw/zinc/26/66/28/169266628.db2.gz SVZHLSQGBDVFBR-UHFFFAOYSA-N 1 0 246.123 3.088 50 0 BGAARO CCC(CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000036923714 168390268 /nfs/dbraw/zinc/39/02/68/168390268.db2.gz MOICFDMYFBXEBM-UHFFFAOYSA-N 1 0 225.307 3.113 50 0 BGAARO C[C@H]([NH3+])c1ccc(-c2ccccc2)s1 ZINC000036927838 343328115 /nfs/dbraw/zinc/32/81/15/343328115.db2.gz UUWSNUMJSCSQIX-VIFPVBQESA-N 1 0 203.310 3.435 50 0 BGAARO C[C@@H]([NH3+])c1ccc(-c2ccccc2)s1 ZINC000036927839 383921743 /nfs/dbraw/zinc/92/17/43/383921743.db2.gz UUWSNUMJSCSQIX-SECBINFHSA-N 1 0 203.310 3.435 50 0 BGAARO [NH3+][C@H]1CCCOc2c3ccccc3ccc21 ZINC000036928575 343328099 /nfs/dbraw/zinc/32/80/99/343328099.db2.gz KUPPMGFRTHBWDB-ZDUSSCGKSA-N 1 0 213.280 3.012 50 0 BGAARO [NH3+][C@@H]1CCCOc2c3ccccc3ccc21 ZINC000036928576 343328016 /nfs/dbraw/zinc/32/80/16/343328016.db2.gz KUPPMGFRTHBWDB-CYBMUJFWSA-N 1 0 213.280 3.012 50 0 BGAARO [NH3+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000036928583 343327979 /nfs/dbraw/zinc/32/79/79/343327979.db2.gz KNPSHYNBAJHJKO-AWEZNQCLSA-N 1 0 225.291 3.136 50 0 BGAARO [NH3+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000036928584 343327828 /nfs/dbraw/zinc/32/78/28/343327828.db2.gz KNPSHYNBAJHJKO-CQSZACIVSA-N 1 0 225.291 3.136 50 0 BGAARO COc1cc(C)cc2c(C)c([C@@H](C)[NH3+])oc21 ZINC000036928729 174966623 /nfs/dbraw/zinc/96/66/23/174966623.db2.gz NRWJAVNWMGAIQX-SECBINFHSA-N 1 0 219.284 3.078 50 0 BGAARO COc1cc(C)cc2c(C)c([C@H](C)[NH3+])oc21 ZINC000036928730 343328103 /nfs/dbraw/zinc/32/81/03/343328103.db2.gz NRWJAVNWMGAIQX-VIFPVBQESA-N 1 0 219.284 3.078 50 0 BGAARO Cc1c2cc3c(cc2oc1[C@@H](C)[NH3+])CCC3 ZINC000036928773 343327822 /nfs/dbraw/zinc/32/78/22/343327822.db2.gz PMMHMOROOXFJHM-SECBINFHSA-N 1 0 215.296 3.250 50 0 BGAARO Cc1c2cc3c(cc2oc1[C@H](C)[NH3+])CCC3 ZINC000036928774 343328039 /nfs/dbraw/zinc/32/80/39/343328039.db2.gz PMMHMOROOXFJHM-VIFPVBQESA-N 1 0 215.296 3.250 50 0 BGAARO CC(C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000036947899 167117322 /nfs/dbraw/zinc/11/73/22/167117322.db2.gz YCGXQHSVOGFGMI-UHFFFAOYSA-N 1 0 209.358 3.125 50 0 BGAARO CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000036947920 167116565 /nfs/dbraw/zinc/11/65/65/167116565.db2.gz CZDXKLYZFBLWML-UHFFFAOYSA-N 1 0 218.127 3.491 50 0 BGAARO Clc1cc(Cl)cc(C[NH2+]C2CC2)c1 ZINC000036947974 180575727 /nfs/dbraw/zinc/57/57/27/180575727.db2.gz XPLRLEHFWZCNLZ-UHFFFAOYSA-N 1 0 216.111 3.245 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1OCCC[NH3+] ZINC000036968817 383924123 /nfs/dbraw/zinc/92/41/23/383924123.db2.gz XHVAQVSLVAHPIU-UHFFFAOYSA-N 1 0 221.344 3.020 50 0 BGAARO c1ccc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000036988483 183437596 /nfs/dbraw/zinc/43/75/96/183437596.db2.gz FTUQXJHPJLCOIY-SUNKGSAMSA-N 1 0 241.338 3.156 50 0 BGAARO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000037024125 388085331 /nfs/dbraw/zinc/08/53/31/388085331.db2.gz JZOVHFDXJCOTMQ-CQSZACIVSA-N 1 0 247.386 3.110 50 0 BGAARO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000037024127 388085297 /nfs/dbraw/zinc/08/52/97/388085297.db2.gz JZOVHFDXJCOTMQ-AWEZNQCLSA-N 1 0 247.386 3.110 50 0 BGAARO Fc1cc(Br)cc([C@@H]2CCC[NH2+]2)c1 ZINC000037025940 188286544 /nfs/dbraw/zinc/28/65/44/188286544.db2.gz JEKYNEMKKWJZOX-JTQLQIEISA-N 1 0 244.107 3.013 50 0 BGAARO Fc1cc(Br)cc([C@H]2CCC[NH2+]2)c1 ZINC000037025942 188286220 /nfs/dbraw/zinc/28/62/20/188286220.db2.gz JEKYNEMKKWJZOX-SNVBAGLBSA-N 1 0 244.107 3.013 50 0 BGAARO Cc1n[nH]cc1C[NH2+][C@@H](c1cccs1)C(C)C ZINC000037072900 388097025 /nfs/dbraw/zinc/09/70/25/388097025.db2.gz MICTXUGFVZIBSA-CYBMUJFWSA-N 1 0 249.383 3.267 50 0 BGAARO Cc1n[nH]cc1C[NH2+][C@H](c1cccs1)C(C)C ZINC000037072901 388097180 /nfs/dbraw/zinc/09/71/80/388097180.db2.gz MICTXUGFVZIBSA-ZDUSSCGKSA-N 1 0 249.383 3.267 50 0 BGAARO Cc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)c(C)s1 ZINC000037123095 178228386 /nfs/dbraw/zinc/22/83/86/178228386.db2.gz LDEODZIQHOQHHV-SNVBAGLBSA-N 1 0 249.383 3.247 50 0 BGAARO Cc1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)c(C)s1 ZINC000037123096 178250237 /nfs/dbraw/zinc/25/02/37/178250237.db2.gz LDEODZIQHOQHHV-JTQLQIEISA-N 1 0 249.383 3.247 50 0 BGAARO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1 ZINC000037155676 397992482 /nfs/dbraw/zinc/99/24/82/397992482.db2.gz LASKZOJTMYIAFN-ZFWWWQNUSA-N 1 0 243.354 3.013 50 0 BGAARO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1 ZINC000037155678 397992202 /nfs/dbraw/zinc/99/22/02/397992202.db2.gz LASKZOJTMYIAFN-DZGCQCFKSA-N 1 0 243.354 3.013 50 0 BGAARO CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1ccccc1 ZINC000037155680 397992464 /nfs/dbraw/zinc/99/24/64/397992464.db2.gz LASKZOJTMYIAFN-HIFRSBDPSA-N 1 0 243.354 3.013 50 0 BGAARO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccccc1 ZINC000037155682 397992476 /nfs/dbraw/zinc/99/24/76/397992476.db2.gz LASKZOJTMYIAFN-UKRRQHHQSA-N 1 0 243.354 3.013 50 0 BGAARO [NH3+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000037184022 383955308 /nfs/dbraw/zinc/95/53/08/383955308.db2.gz BQTDSTACPKSLCW-UHFFFAOYSA-N 1 0 210.491 3.106 50 0 BGAARO C[C@H]([NH2+]Cc1ccco1)C1CCCCC1 ZINC000037184243 383953518 /nfs/dbraw/zinc/95/35/18/383953518.db2.gz FWYNWZNDCIUXMJ-NSHDSACASA-N 1 0 207.317 3.338 50 0 BGAARO C[C@@H]([NH2+]Cc1ccco1)C1CCCCC1 ZINC000037184244 343338437 /nfs/dbraw/zinc/33/84/37/343338437.db2.gz FWYNWZNDCIUXMJ-LLVKDONJSA-N 1 0 207.317 3.338 50 0 BGAARO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037186463 538961991 /nfs/dbraw/zinc/96/19/91/538961991.db2.gz MWXKEDNWQUYYOA-OLZOCXBDSA-N 1 0 235.371 3.404 50 0 BGAARO CC[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037186464 171345107 /nfs/dbraw/zinc/34/51/07/171345107.db2.gz MWXKEDNWQUYYOA-STQMWFEESA-N 1 0 235.371 3.404 50 0 BGAARO CC[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037186465 170758276 /nfs/dbraw/zinc/75/82/76/170758276.db2.gz MWXKEDNWQUYYOA-CHWSQXEVSA-N 1 0 235.371 3.404 50 0 BGAARO CC[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037186466 171347885 /nfs/dbraw/zinc/34/78/85/171347885.db2.gz MWXKEDNWQUYYOA-QWHCGFSZSA-N 1 0 235.371 3.404 50 0 BGAARO CC[C@H]([NH2+]CCc1ccccc1)C(C)C ZINC000037202150 343339095 /nfs/dbraw/zinc/33/90/95/343339095.db2.gz WEDRZFXTKBQOCQ-AWEZNQCLSA-N 1 0 205.345 3.253 50 0 BGAARO CC[C@@H]([NH2+]CCc1ccccc1)C(C)C ZINC000037202151 383957644 /nfs/dbraw/zinc/95/76/44/383957644.db2.gz WEDRZFXTKBQOCQ-CQSZACIVSA-N 1 0 205.345 3.253 50 0 BGAARO Cc1ccc2sc(C3CC[NH2+]CC3)nc2c1 ZINC000037204470 178991028 /nfs/dbraw/zinc/99/10/28/178991028.db2.gz ZZSWNCUBPWMLNN-UHFFFAOYSA-N 1 0 232.352 3.072 50 0 BGAARO CC[C@H]([NH2+]CCc1cccs1)C(C)C ZINC000037211837 343339460 /nfs/dbraw/zinc/33/94/60/343339460.db2.gz SOXSKUOXZANWNW-LBPRGKRZSA-N 1 0 211.374 3.315 50 0 BGAARO CC[C@@H]([NH2+]CCc1cccs1)C(C)C ZINC000037211838 383959032 /nfs/dbraw/zinc/95/90/32/383959032.db2.gz SOXSKUOXZANWNW-GFCCVEGCSA-N 1 0 211.374 3.315 50 0 BGAARO CCc1ccc([C@@H](CC)[NH2+]C2CC2)cc1 ZINC000037223519 343340139 /nfs/dbraw/zinc/34/01/39/343340139.db2.gz MTZAJWXTBHRUOC-CQSZACIVSA-N 1 0 203.329 3.452 50 0 BGAARO CCc1ccc([C@H](CC)[NH2+]C2CC2)cc1 ZINC000037223520 383959443 /nfs/dbraw/zinc/95/94/43/383959443.db2.gz MTZAJWXTBHRUOC-AWEZNQCLSA-N 1 0 203.329 3.452 50 0 BGAARO CCC(C)(C)[NH2+]Cc1cc(F)ccc1F ZINC000037228229 168299206 /nfs/dbraw/zinc/29/92/06/168299206.db2.gz YCWGEKVTLZJBMI-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO CCC(CC)[NH2+]Cc1cc(F)ccc1F ZINC000037228235 168389316 /nfs/dbraw/zinc/38/93/16/168389316.db2.gz ZBBLJBSYHLSPMT-UHFFFAOYSA-N 1 0 213.271 3.243 50 0 BGAARO CCCCC[NH2+]Cc1cc(F)ccc1F ZINC000037228253 343340528 /nfs/dbraw/zinc/34/05/28/343340528.db2.gz SMBLEGRDVJATOH-UHFFFAOYSA-N 1 0 213.271 3.245 50 0 BGAARO CC(C)CC[NH2+]Cc1cc(F)ccc1F ZINC000037228320 383962721 /nfs/dbraw/zinc/96/27/21/383962721.db2.gz QOQPEZXIWOSFBB-UHFFFAOYSA-N 1 0 213.271 3.101 50 0 BGAARO CC(C)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000037233385 167381939 /nfs/dbraw/zinc/38/19/39/167381939.db2.gz PXHZMLYDFRSDRK-SECBINFHSA-N 1 0 213.271 3.099 50 0 BGAARO CC(C)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000037233387 343340574 /nfs/dbraw/zinc/34/05/74/343340574.db2.gz PXHZMLYDFRSDRK-VIFPVBQESA-N 1 0 213.271 3.099 50 0 BGAARO C[NH2+]Cc1cc(F)ccc1OCc1ccccc1 ZINC000037237032 173387139 /nfs/dbraw/zinc/38/71/39/173387139.db2.gz OCTXNNRWRKOWTB-UHFFFAOYSA-N 1 0 245.297 3.124 50 0 BGAARO CC(C)(C)c1ccc(C2(C[NH3+])CCC2)cc1 ZINC000037287305 188287223 /nfs/dbraw/zinc/28/72/23/188287223.db2.gz HADWGBBTCWBMLP-UHFFFAOYSA-N 1 0 217.356 3.365 50 0 BGAARO CC(C)(C)c1ccc(C2([NH3+])CCC2)cc1 ZINC000037287309 343343154 /nfs/dbraw/zinc/34/31/54/343343154.db2.gz ZENPMQYHXUYRAV-UHFFFAOYSA-N 1 0 203.329 3.322 50 0 BGAARO [NH3+][C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037381494 343344301 /nfs/dbraw/zinc/34/43/01/343344301.db2.gz WVKRVNMRNFXMKX-HOTGVXAUSA-N 1 0 239.318 3.080 50 0 BGAARO [NH3+][C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037381497 181658957 /nfs/dbraw/zinc/65/89/57/181658957.db2.gz WVKRVNMRNFXMKX-CVEARBPZSA-N 1 0 239.318 3.080 50 0 BGAARO [NH3+][C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037381499 181600595 /nfs/dbraw/zinc/60/05/95/181600595.db2.gz WVKRVNMRNFXMKX-JKSUJKDBSA-N 1 0 239.318 3.080 50 0 BGAARO [NH3+][C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037381502 343344218 /nfs/dbraw/zinc/34/42/18/343344218.db2.gz WVKRVNMRNFXMKX-HZPDHXFCSA-N 1 0 239.318 3.080 50 0 BGAARO CC(C)c1ccc(COC2CC[NH2+]CC2)cc1 ZINC000037390524 167598760 /nfs/dbraw/zinc/59/87/60/167598760.db2.gz LUMHVLIJJILBTG-UHFFFAOYSA-N 1 0 233.355 3.079 50 0 BGAARO c1ccc2c(c1)cccc2COC1CC[NH2+]CC1 ZINC000037390674 518203861 /nfs/dbraw/zinc/20/38/61/518203861.db2.gz VFFRRBDDVSRZCV-UHFFFAOYSA-N 1 0 241.334 3.108 50 0 BGAARO COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423330 383975277 /nfs/dbraw/zinc/97/52/77/383975277.db2.gz GYILQFNKQWWNPD-MRVPVSSYSA-N 1 0 248.153 3.118 50 0 BGAARO CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423935 383974214 /nfs/dbraw/zinc/97/42/14/383974214.db2.gz MLCIKHVYOSADLI-UHFFFAOYSA-N 1 0 248.153 3.120 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1OC1CC[NH2+]CC1 ZINC000037429034 383974164 /nfs/dbraw/zinc/97/41/64/383974164.db2.gz NZKDWHSGUYOLNK-UHFFFAOYSA-N 1 0 247.382 3.423 50 0 BGAARO CC(C)[C@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000037463761 343345989 /nfs/dbraw/zinc/34/59/89/343345989.db2.gz PDFDJJOGWLXPIV-GFCCVEGCSA-N 1 0 211.736 3.256 50 0 BGAARO CC(C)[C@@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000037463763 190989498 /nfs/dbraw/zinc/98/94/98/190989498.db2.gz PDFDJJOGWLXPIV-LBPRGKRZSA-N 1 0 211.736 3.256 50 0 BGAARO Cc1cccc(C([NH3+])c2cccc(C)c2)c1 ZINC000037466917 179028779 /nfs/dbraw/zinc/02/87/79/179028779.db2.gz OUCXXIRHLYHZKV-UHFFFAOYSA-N 1 0 211.308 3.352 50 0 BGAARO CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000037467565 170148405 /nfs/dbraw/zinc/14/84/05/170148405.db2.gz RJOOZIFTEKLMTO-CQSZACIVSA-N 1 0 218.344 3.313 50 0 BGAARO CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000037467568 170165039 /nfs/dbraw/zinc/16/50/39/170165039.db2.gz RJOOZIFTEKLMTO-AWEZNQCLSA-N 1 0 218.344 3.313 50 0 BGAARO CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000037467900 170146493 /nfs/dbraw/zinc/14/64/93/170146493.db2.gz LUGOXBLYAPBXHS-ZDUSSCGKSA-N 1 0 209.308 3.002 50 0 BGAARO CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000037467902 170162443 /nfs/dbraw/zinc/16/24/43/170162443.db2.gz LUGOXBLYAPBXHS-CYBMUJFWSA-N 1 0 209.308 3.002 50 0 BGAARO CC(C)(C)CC[NH2+]CCc1ccccc1 ZINC000037488691 348622608 /nfs/dbraw/zinc/62/26/08/348622608.db2.gz JLPKPANABCZMCC-UHFFFAOYSA-N 1 0 205.345 3.255 50 0 BGAARO c1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000037492907 384503380 /nfs/dbraw/zinc/50/33/80/384503380.db2.gz NYBRAKCTIOEZAQ-UHFFFAOYSA-N 1 0 203.329 3.357 50 0 BGAARO COc1ccccc1C[NH2+]CCC1CCCC1 ZINC000037492936 364076480 /nfs/dbraw/zinc/07/64/80/364076480.db2.gz AYGFHIBWGPMOLH-UHFFFAOYSA-N 1 0 233.355 3.365 50 0 BGAARO c1csc(C[NH2+]CCC2CCCC2)c1 ZINC000037492973 364076169 /nfs/dbraw/zinc/07/61/69/364076169.db2.gz LWZRLACFFQQEFW-UHFFFAOYSA-N 1 0 209.358 3.418 50 0 BGAARO [NH3+][C@@H](CCOc1ccccc1)c1ccc(F)cc1 ZINC000037533068 343348279 /nfs/dbraw/zinc/34/82/79/343348279.db2.gz PXKWGOVPXLFYSI-HNNXBMFYSA-N 1 0 245.297 3.295 50 0 BGAARO [NH3+][C@H](CCOc1ccccc1)c1ccc(F)cc1 ZINC000037533069 343348411 /nfs/dbraw/zinc/34/84/11/343348411.db2.gz PXKWGOVPXLFYSI-OAHLLOKOSA-N 1 0 245.297 3.295 50 0 BGAARO c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000037565600 364192289 /nfs/dbraw/zinc/19/22/89/364192289.db2.gz RZNSJPYLUFOZDN-HNNXBMFYSA-N 1 0 223.319 3.116 50 0 BGAARO c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000037565601 364192128 /nfs/dbraw/zinc/19/21/28/364192128.db2.gz RZNSJPYLUFOZDN-OAHLLOKOSA-N 1 0 223.319 3.116 50 0 BGAARO [NH3+][C@H]1CCCC[C@H]1c1c[nH]c2ccccc12 ZINC000037632875 181641859 /nfs/dbraw/zinc/64/18/59/181641859.db2.gz XNYGRAFWZLKHBH-GWCFXTLKSA-N 1 0 214.312 3.153 50 0 BGAARO [NH3+][C@H]1CCCC[C@@H]1c1c[nH]c2ccccc12 ZINC000037632877 343350171 /nfs/dbraw/zinc/35/01/71/343350171.db2.gz XNYGRAFWZLKHBH-MFKMUULPSA-N 1 0 214.312 3.153 50 0 BGAARO [NH3+][C@@H]1CCCC[C@H]1c1c[nH]c2ccccc21 ZINC000037632879 343350304 /nfs/dbraw/zinc/35/03/04/343350304.db2.gz XNYGRAFWZLKHBH-GXFFZTMASA-N 1 0 214.312 3.153 50 0 BGAARO [NH3+][C@@H]1CCCC[C@@H]1c1c[nH]c2ccccc12 ZINC000037632881 181575253 /nfs/dbraw/zinc/57/52/53/181575253.db2.gz XNYGRAFWZLKHBH-ZWNOBZJWSA-N 1 0 214.312 3.153 50 0 BGAARO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000037658152 170147440 /nfs/dbraw/zinc/14/74/40/170147440.db2.gz CONJPXUNPIRBPU-AWEZNQCLSA-N 1 0 246.741 3.434 50 0 BGAARO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000037658153 170164162 /nfs/dbraw/zinc/16/41/62/170164162.db2.gz CONJPXUNPIRBPU-CQSZACIVSA-N 1 0 246.741 3.434 50 0 BGAARO CC[C@H]([NH2+]Cc1cccc(OC)c1)C(C)C ZINC000037680570 411276044 /nfs/dbraw/zinc/27/60/44/411276044.db2.gz NLOYIPOTRDXDAN-AWEZNQCLSA-N 1 0 221.344 3.219 50 0 BGAARO CC[C@@H]([NH2+]Cc1cccc(OC)c1)C(C)C ZINC000037680572 411276004 /nfs/dbraw/zinc/27/60/04/411276004.db2.gz NLOYIPOTRDXDAN-CQSZACIVSA-N 1 0 221.344 3.219 50 0 BGAARO Cc1cc(C[NH3+])ccc1Oc1ccc(F)cc1 ZINC000037733322 343352746 /nfs/dbraw/zinc/35/27/46/343352746.db2.gz TYNQWATVECSXJJ-UHFFFAOYSA-N 1 0 231.270 3.385 50 0 BGAARO CC[NH2+][C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000037746176 170148852 /nfs/dbraw/zinc/14/88/52/170148852.db2.gz RIZHPJZLPBGORC-INIZCTEOSA-N 1 0 240.350 3.397 50 0 BGAARO CC[NH2+][C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000037746177 170165069 /nfs/dbraw/zinc/16/50/69/170165069.db2.gz RIZHPJZLPBGORC-MRXNPFEDSA-N 1 0 240.350 3.397 50 0 BGAARO CC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000037762128 170164782 /nfs/dbraw/zinc/16/47/82/170164782.db2.gz RMRANPOOGCOWOG-HNNXBMFYSA-N 1 0 244.313 3.228 50 0 BGAARO CC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000037762129 170148931 /nfs/dbraw/zinc/14/89/31/170148931.db2.gz RMRANPOOGCOWOG-OAHLLOKOSA-N 1 0 244.313 3.228 50 0 BGAARO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccccn1 ZINC000037776919 179288373 /nfs/dbraw/zinc/28/83/73/179288373.db2.gz RRYIDRGVJYIRAK-CQSZACIVSA-N 1 0 240.350 3.111 50 0 BGAARO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccccn1 ZINC000037776920 179291294 /nfs/dbraw/zinc/29/12/94/179291294.db2.gz RRYIDRGVJYIRAK-AWEZNQCLSA-N 1 0 240.350 3.111 50 0 BGAARO Cc1ccc(C)c(C[NH2+]C2CCCC2)c1 ZINC000037854447 384028328 /nfs/dbraw/zinc/02/83/28/384028328.db2.gz AVVNTFJEUNHQDK-UHFFFAOYSA-N 1 0 203.329 3.336 50 0 BGAARO Cc1cccc(C[NH2+]C2CCCC2)c1C ZINC000037854448 179090754 /nfs/dbraw/zinc/09/07/54/179090754.db2.gz GCVOCHGTNOEFDY-UHFFFAOYSA-N 1 0 203.329 3.336 50 0 BGAARO Cc1cccc(OCCC[NH2+]Cc2ccco2)c1 ZINC000037855230 179167239 /nfs/dbraw/zinc/16/72/39/179167239.db2.gz WKNPBRVCPSXPNM-UHFFFAOYSA-N 1 0 245.322 3.147 50 0 BGAARO Cc1cc(C)cc(C[NH2+]C2CCCC2)c1 ZINC000037855303 384029531 /nfs/dbraw/zinc/02/95/31/384029531.db2.gz COYYNJNBIMZBAP-UHFFFAOYSA-N 1 0 203.329 3.336 50 0 BGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000037878776 371070825 /nfs/dbraw/zinc/07/08/25/371070825.db2.gz CYSVMWDDZCVLQQ-VIFPVBQESA-N 1 0 249.745 3.222 50 0 BGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037878780 371071284 /nfs/dbraw/zinc/07/12/84/371071284.db2.gz HKGZMCVLFIPIDQ-VIFPVBQESA-N 1 0 249.745 3.222 50 0 BGAARO CCc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000037883041 388747390 /nfs/dbraw/zinc/74/73/90/388747390.db2.gz YJWFWMBORVPODS-LLVKDONJSA-N 1 0 243.354 3.131 50 0 BGAARO CCc1ccc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000037883043 388747018 /nfs/dbraw/zinc/74/70/18/388747018.db2.gz YJWFWMBORVPODS-NSHDSACASA-N 1 0 243.354 3.131 50 0 BGAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037883059 350289903 /nfs/dbraw/zinc/28/99/03/350289903.db2.gz IQJCZIRZZZSFKV-OAHLLOKOSA-N 1 0 243.354 3.205 50 0 BGAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000037883061 388748480 /nfs/dbraw/zinc/74/84/80/388748480.db2.gz IQJCZIRZZZSFKV-HNNXBMFYSA-N 1 0 243.354 3.205 50 0 BGAARO c1cc(C[NH2+]C2CCCC2)cc2c1CCC2 ZINC000037927315 183368331 /nfs/dbraw/zinc/36/83/31/183368331.db2.gz VSGHLEQMUAVTLO-UHFFFAOYSA-N 1 0 215.340 3.208 50 0 BGAARO CN(C)c1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000037927724 350292037 /nfs/dbraw/zinc/29/20/37/350292037.db2.gz FSEQDAUGJJHPHJ-UHFFFAOYSA-N 1 0 240.350 3.042 50 0 BGAARO CC(C)(C[NH3+])c1c(Cl)cccc1Cl ZINC000037934497 188289213 /nfs/dbraw/zinc/28/92/13/188289213.db2.gz IELPHKNECATTMW-UHFFFAOYSA-N 1 0 218.127 3.230 50 0 BGAARO CCC(CC)(C[NH3+])c1ccc(Cl)cc1 ZINC000037934505 168324177 /nfs/dbraw/zinc/32/41/77/168324177.db2.gz SRNUVECLPRIODK-UHFFFAOYSA-N 1 0 211.736 3.357 50 0 BGAARO Cc1cc(C)cc(C[NH2+]CCC(C)C)c1 ZINC000037978579 343363570 /nfs/dbraw/zinc/36/35/70/343363570.db2.gz BFMIBMJLBHASLF-UHFFFAOYSA-N 1 0 205.345 3.439 50 0 BGAARO Cc1cc(C)cc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000037978656 187942638 /nfs/dbraw/zinc/94/26/38/187942638.db2.gz XQWGSFZKEBAHTQ-ZDUSSCGKSA-N 1 0 205.345 3.438 50 0 BGAARO Cc1cc(C)cc(C[NH2+][C@H](C)C(C)C)c1 ZINC000037978657 343363869 /nfs/dbraw/zinc/36/38/69/343363869.db2.gz XQWGSFZKEBAHTQ-CYBMUJFWSA-N 1 0 205.345 3.438 50 0 BGAARO COc1ccccc1C[NH2+]CCCC(C)C ZINC000037984968 188115766 /nfs/dbraw/zinc/11/57/66/188115766.db2.gz HHPLTKSQJWVGDT-UHFFFAOYSA-N 1 0 221.344 3.221 50 0 BGAARO [NH3+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000037992440 343364224 /nfs/dbraw/zinc/36/42/24/343364224.db2.gz QVJRANSSXJFNAZ-AWEZNQCLSA-N 1 0 233.261 3.207 50 0 BGAARO [NH3+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000037992441 343364523 /nfs/dbraw/zinc/36/45/23/343364523.db2.gz QVJRANSSXJFNAZ-CQSZACIVSA-N 1 0 233.261 3.207 50 0 BGAARO CC(C)(C)[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000037992582 188115713 /nfs/dbraw/zinc/11/57/13/188115713.db2.gz MREXEPNPECNQQQ-LLVKDONJSA-N 1 0 211.736 3.256 50 0 BGAARO CC(C)(C)[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000037992583 343364207 /nfs/dbraw/zinc/36/42/07/343364207.db2.gz MREXEPNPECNQQQ-NSHDSACASA-N 1 0 211.736 3.256 50 0 BGAARO C[C@H]([NH2+]C1CC1)c1ccc(Br)s1 ZINC000038001559 384054634 /nfs/dbraw/zinc/05/46/34/384054634.db2.gz GUFJDOYWCGUCTB-LURJTMIESA-N 1 0 246.173 3.324 50 0 BGAARO C[C@@H]([NH2+]C1CC1)c1ccc(Br)s1 ZINC000038001560 384054616 /nfs/dbraw/zinc/05/46/16/384054616.db2.gz GUFJDOYWCGUCTB-ZCFIWIBFSA-N 1 0 246.173 3.324 50 0 BGAARO CC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000038051774 170128263 /nfs/dbraw/zinc/12/82/63/170128263.db2.gz KIDINKWMKLQPHB-UHFFFAOYSA-N 1 0 211.308 3.463 50 0 BGAARO Cc1ccc(C(C)C)cc1OC1CC[NH2+]CC1 ZINC000038053076 178454460 /nfs/dbraw/zinc/45/44/60/178454460.db2.gz CLVBAJRLFCKYLH-UHFFFAOYSA-N 1 0 233.355 3.249 50 0 BGAARO c1cncc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038069902 384063756 /nfs/dbraw/zinc/06/37/56/384063756.db2.gz CLNBDNHHYULYLN-UHFFFAOYSA-N 1 0 224.307 3.001 50 0 BGAARO COc1ccccc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000038070414 175310202 /nfs/dbraw/zinc/31/02/02/175310202.db2.gz SWUCPINBVVKIIT-NSHDSACASA-N 1 0 227.307 3.382 50 0 BGAARO COc1ccccc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000038070415 175310190 /nfs/dbraw/zinc/31/01/90/175310190.db2.gz SWUCPINBVVKIIT-LLVKDONJSA-N 1 0 227.307 3.382 50 0 BGAARO C[C@@H]1Cc2cc(-c3ccc(C[NH3+])cc3)ccc2O1 ZINC000038073526 176449677 /nfs/dbraw/zinc/44/96/77/176449677.db2.gz AKXOZCQBVRVPQB-LLVKDONJSA-N 1 0 239.318 3.136 50 0 BGAARO C[C@H]1Cc2cc(-c3ccc(C[NH3+])cc3)ccc2O1 ZINC000038073527 177388271 /nfs/dbraw/zinc/38/82/71/177388271.db2.gz AKXOZCQBVRVPQB-NSHDSACASA-N 1 0 239.318 3.136 50 0 BGAARO [NH3+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000038073850 384064912 /nfs/dbraw/zinc/06/49/12/384064912.db2.gz ONUQOWYAZOMPQW-UHFFFAOYSA-N 1 0 239.318 3.137 50 0 BGAARO COc1ccccc1[C@H]([NH3+])c1ccccc1Cl ZINC000038078445 175353179 /nfs/dbraw/zinc/35/31/79/175353179.db2.gz YVVAOCNJPROCGJ-CQSZACIVSA-N 1 0 247.725 3.397 50 0 BGAARO COc1ccccc1[C@@H]([NH3+])c1ccccc1Cl ZINC000038078446 175347463 /nfs/dbraw/zinc/34/74/63/175347463.db2.gz YVVAOCNJPROCGJ-AWEZNQCLSA-N 1 0 247.725 3.397 50 0 BGAARO COc1cccc([C@H]([NH3+])c2ccccc2Cl)c1 ZINC000038078459 175295261 /nfs/dbraw/zinc/29/52/61/175295261.db2.gz GWFCQIPXJWTDTO-AWEZNQCLSA-N 1 0 247.725 3.397 50 0 BGAARO COc1cccc([C@@H]([NH3+])c2ccccc2Cl)c1 ZINC000038078460 175288545 /nfs/dbraw/zinc/28/85/45/175288545.db2.gz GWFCQIPXJWTDTO-CQSZACIVSA-N 1 0 247.725 3.397 50 0 BGAARO C[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCCO1 ZINC000038095370 344700287 /nfs/dbraw/zinc/70/02/87/344700287.db2.gz CGHSCYJZAOMZJU-HOCLYGCPSA-N 1 0 247.382 3.166 50 0 BGAARO C[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCCO1 ZINC000038095371 176640614 /nfs/dbraw/zinc/64/06/14/176640614.db2.gz CGHSCYJZAOMZJU-ZBFHGGJFSA-N 1 0 247.382 3.166 50 0 BGAARO C[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCCO1 ZINC000038095372 344700913 /nfs/dbraw/zinc/70/09/13/344700913.db2.gz CGHSCYJZAOMZJU-GOEBONIOSA-N 1 0 247.382 3.166 50 0 BGAARO C[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCCO1 ZINC000038095373 344701361 /nfs/dbraw/zinc/70/13/61/344701361.db2.gz CGHSCYJZAOMZJU-GDBMZVCRSA-N 1 0 247.382 3.166 50 0 BGAARO CCCC(CCC)[NH2+]CC[C@@H]1CCCO1 ZINC000038095750 344780374 /nfs/dbraw/zinc/78/03/74/344780374.db2.gz BSNQCOSFGHWRIJ-ZDUSSCGKSA-N 1 0 213.365 3.114 50 0 BGAARO CCCC(CCC)[NH2+]CC[C@H]1CCCO1 ZINC000038095751 168581334 /nfs/dbraw/zinc/58/13/34/168581334.db2.gz BSNQCOSFGHWRIJ-CYBMUJFWSA-N 1 0 213.365 3.114 50 0 BGAARO C[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC000038096271 176851981 /nfs/dbraw/zinc/85/19/81/176851981.db2.gz NYVCZIGDWXEIOL-JSGCOSHPSA-N 1 0 225.376 3.114 50 0 BGAARO C[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC000038096272 386123296 /nfs/dbraw/zinc/12/32/96/386123296.db2.gz NYVCZIGDWXEIOL-OCCSQVGLSA-N 1 0 225.376 3.114 50 0 BGAARO C[C@H]([NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC000038096273 176853386 /nfs/dbraw/zinc/85/33/86/176853386.db2.gz NYVCZIGDWXEIOL-GXTWGEPZSA-N 1 0 225.376 3.114 50 0 BGAARO C[C@@H]([NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC000038096274 384194075 /nfs/dbraw/zinc/19/40/75/384194075.db2.gz NYVCZIGDWXEIOL-TZMCWYRMSA-N 1 0 225.376 3.114 50 0 BGAARO c1ccc2c(c1)CC[N@H+]1CC[C@@H]3CCCC[C@@]231 ZINC000038190838 386123265 /nfs/dbraw/zinc/12/32/65/386123265.db2.gz PERYEAFHHZTAKL-HOCLYGCPSA-N 1 0 227.351 3.334 50 0 in-vitro BGAARO C[C@@H]([NH2+]Cc1ccccc1)C1CCCC1 ZINC000038214023 386127641 /nfs/dbraw/zinc/12/76/41/386127641.db2.gz CTYRWIHTIVFVNQ-GFCCVEGCSA-N 1 0 203.329 3.355 50 0 BGAARO c1ccc(C[NH2+]CC2=CCCCC2)cc1 ZINC000038350773 259310460 /nfs/dbraw/zinc/31/04/60/259310460.db2.gz JLOFZDMTACCEBD-UHFFFAOYSA-N 1 0 201.313 3.277 50 0 BGAARO [NH3+]CCCn1c2ccccc2nc1C1CCCC1 ZINC000038478283 181389461 /nfs/dbraw/zinc/38/94/61/181389461.db2.gz TXOIOEYXSILNPT-UHFFFAOYSA-N 1 0 243.354 3.043 50 0 BGAARO [NH3+][C@@H](c1ccc2ccccc2n1)C1CCCC1 ZINC000038526343 343376081 /nfs/dbraw/zinc/37/60/81/343376081.db2.gz LUXUJWKUOGNQTI-OAHLLOKOSA-N 1 0 226.323 3.425 50 0 BGAARO [NH3+][C@H](c1ccc2ccccc2n1)C1CCCC1 ZINC000038526345 343375899 /nfs/dbraw/zinc/37/58/99/343375899.db2.gz LUXUJWKUOGNQTI-HNNXBMFYSA-N 1 0 226.323 3.425 50 0 BGAARO [NH3+]Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000038529588 181482803 /nfs/dbraw/zinc/48/28/03/181482803.db2.gz UOECFUQLAZNQIL-UHFFFAOYSA-N 1 0 243.150 3.183 50 0 BGAARO Clc1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000038580678 343377361 /nfs/dbraw/zinc/37/73/61/343377361.db2.gz IILDPWLLLDABKQ-NSHDSACASA-N 1 0 239.746 3.109 50 0 BGAARO Clc1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000038580680 343377360 /nfs/dbraw/zinc/37/73/60/343377360.db2.gz IILDPWLLLDABKQ-LLVKDONJSA-N 1 0 239.746 3.109 50 0 BGAARO Cc1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000038580784 178068532 /nfs/dbraw/zinc/06/85/32/178068532.db2.gz XUFRASBJBNNJRK-UHFFFAOYSA-N 1 0 239.746 3.027 50 0 BGAARO Cc1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000038580785 178069292 /nfs/dbraw/zinc/06/92/92/178069292.db2.gz AMTFDVRUKURRGF-LLVKDONJSA-N 1 0 239.746 3.027 50 0 BGAARO Cc1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000038580786 178069699 /nfs/dbraw/zinc/06/96/99/178069699.db2.gz AMTFDVRUKURRGF-NSHDSACASA-N 1 0 239.746 3.027 50 0 BGAARO CC[N@H+](Cc1ccccc1)C1CCCC1 ZINC000038672904 364048562 /nfs/dbraw/zinc/04/85/62/364048562.db2.gz QTGRYPCFEITDKW-UHFFFAOYSA-N 1 0 203.329 3.451 50 0 BGAARO CC[NH+](CC)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000038809045 343379483 /nfs/dbraw/zinc/37/94/83/343379483.db2.gz AMRWJRYVRZQCOF-HNNXBMFYSA-N 1 0 234.387 3.152 50 0 BGAARO CC[NH+](CC)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000038809047 384093602 /nfs/dbraw/zinc/09/36/02/384093602.db2.gz AMRWJRYVRZQCOF-OAHLLOKOSA-N 1 0 234.387 3.152 50 0 BGAARO CC(C)c1ccc([C@@H](C[NH3+])N2CCCCC2)cc1 ZINC000038809051 343379287 /nfs/dbraw/zinc/37/92/87/343379287.db2.gz MUMHLLSXRYCCFP-MRXNPFEDSA-N 1 0 246.398 3.296 50 0 BGAARO CC(C)c1ccc([C@H](C[NH3+])N2CCCCC2)cc1 ZINC000038809054 343379562 /nfs/dbraw/zinc/37/95/62/343379562.db2.gz MUMHLLSXRYCCFP-INIZCTEOSA-N 1 0 246.398 3.296 50 0 BGAARO CC(C)(C)c1ccc([C@@H](C[NH3+])N2CCCC2)cc1 ZINC000038827603 343379217 /nfs/dbraw/zinc/37/92/17/343379217.db2.gz UMMVLVLADCHRPV-OAHLLOKOSA-N 1 0 246.398 3.080 50 0 BGAARO CC(C)(C)c1ccc([C@H](C[NH3+])N2CCCC2)cc1 ZINC000038827604 188290596 /nfs/dbraw/zinc/29/05/96/188290596.db2.gz UMMVLVLADCHRPV-HNNXBMFYSA-N 1 0 246.398 3.080 50 0 BGAARO CC(C)[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000038869808 167131819 /nfs/dbraw/zinc/13/18/19/167131819.db2.gz MOSZAQRPQVSXBM-INIZCTEOSA-N 1 0 246.398 3.212 50 0 BGAARO NCC[NH2+]C1CCCCCCCCCCC1 ZINC000038889906 181396050 /nfs/dbraw/zinc/39/60/50/181396050.db2.gz PIYIMOJQPLHRLT-UHFFFAOYSA-N 1 0 226.408 3.208 50 0 BGAARO Clc1cccc(SC[C@@H]2CCC[NH2+]C2)c1 ZINC000039077224 343381557 /nfs/dbraw/zinc/38/15/57/343381557.db2.gz QQWKNSLOZVVGGJ-SNVBAGLBSA-N 1 0 241.787 3.432 50 0 BGAARO Clc1cccc(SC[C@H]2CCC[NH2+]C2)c1 ZINC000039077225 343113061 /nfs/dbraw/zinc/11/30/61/343113061.db2.gz QQWKNSLOZVVGGJ-JTQLQIEISA-N 1 0 241.787 3.432 50 0 BGAARO CC[NH+](CC)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039142602 343386028 /nfs/dbraw/zinc/38/60/28/343386028.db2.gz AEZKGWYRNWWOPF-HNNXBMFYSA-N 1 0 248.414 3.326 50 0 BGAARO CC[NH+](CC)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039142604 384109261 /nfs/dbraw/zinc/10/92/61/384109261.db2.gz AEZKGWYRNWWOPF-OAHLLOKOSA-N 1 0 248.414 3.326 50 0 BGAARO Fc1ccc(C2=[NH+]CCc3ccccc32)cc1 ZINC000039304508 350334328 /nfs/dbraw/zinc/33/43/28/350334328.db2.gz ABOCLVHNYWRZEE-UHFFFAOYSA-N 1 0 225.266 3.219 50 0 BGAARO COc1cc([C@H](C)[NH3+])ccc1SC(F)F ZINC000039947715 175015071 /nfs/dbraw/zinc/01/50/71/175015071.db2.gz LHHPJSDCGMEJAB-LURJTMIESA-N 1 0 233.283 3.030 50 0 BGAARO COc1cc([C@@H](C)[NH3+])ccc1SC(F)F ZINC000039947716 175012801 /nfs/dbraw/zinc/01/28/01/175012801.db2.gz LHHPJSDCGMEJAB-ZCFIWIBFSA-N 1 0 233.283 3.030 50 0 BGAARO [NH3+]Cc1cc(Cl)c(Cl)cc1Cl ZINC000039953590 384123559 /nfs/dbraw/zinc/12/35/59/384123559.db2.gz HGUKVMIKEJYWFM-UHFFFAOYSA-N 1 0 210.491 3.106 50 0 BGAARO CC[NH+](CC)Cc1ccc(Br)cc1 ZINC000039975167 343394399 /nfs/dbraw/zinc/39/43/99/343394399.db2.gz SXEJQBLAVTUYPB-UHFFFAOYSA-N 1 0 242.160 3.291 50 0 BGAARO CCN(Cc1cc(C)no1)Cc1cccc(F)c1 ZINC000040005002 373085441 /nfs/dbraw/zinc/08/54/41/373085441.db2.gz LDAQEUQIBKMMJY-UHFFFAOYSA-N 1 0 248.301 3.144 50 0 BGAARO COc1ccc(C[N@H+](C)CC=C(C)C)cc1OC ZINC000040009522 388412092 /nfs/dbraw/zinc/41/20/92/388412092.db2.gz WQXUXJHMVHNJHB-UHFFFAOYSA-N 1 0 249.354 3.102 50 0 BGAARO COc1cccc([C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000040038984 175295879 /nfs/dbraw/zinc/29/58/79/175295879.db2.gz YNANNUCSAKSUNC-OAHLLOKOSA-N 1 0 233.355 3.488 50 0 BGAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000040038985 175290148 /nfs/dbraw/zinc/29/01/48/175290148.db2.gz YNANNUCSAKSUNC-HNNXBMFYSA-N 1 0 233.355 3.488 50 0 BGAARO CCc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000040049820 373097715 /nfs/dbraw/zinc/09/77/15/373097715.db2.gz UPDSCVJERJIFGB-PHIMTYICSA-N 1 0 238.400 3.183 50 0 BGAARO CCc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000040049821 373097633 /nfs/dbraw/zinc/09/76/33/373097633.db2.gz UPDSCVJERJIFGB-QWRGUYRKSA-N 1 0 238.400 3.183 50 0 BGAARO CCc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000040049822 373096649 /nfs/dbraw/zinc/09/66/49/373096649.db2.gz UPDSCVJERJIFGB-GHMZBOCLSA-N 1 0 238.400 3.183 50 0 BGAARO CCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000040119890 169077784 /nfs/dbraw/zinc/07/77/84/169077784.db2.gz GJUSOYYWKQQWPD-UHFFFAOYSA-N 1 0 227.735 3.061 50 0 BGAARO CCC[N@H+](C)CCOc1ccccc1Cl ZINC000040119894 169077856 /nfs/dbraw/zinc/07/78/56/169077856.db2.gz UTYVUFRKOKBDCV-UHFFFAOYSA-N 1 0 227.735 3.061 50 0 BGAARO CSc1ccc(C[NH+]2CCCCC2)cc1 ZINC000040161787 188292334 /nfs/dbraw/zinc/29/23/34/188292334.db2.gz ANGNELLDFULLPG-UHFFFAOYSA-N 1 0 221.369 3.394 50 0 BGAARO CC(C)Cn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163825 187601051 /nfs/dbraw/zinc/60/10/51/187601051.db2.gz CKJMNKQBKJZKPS-ZDUSSCGKSA-N 1 0 243.354 3.117 50 0 BGAARO CC(C)Cn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163826 188291766 /nfs/dbraw/zinc/29/17/66/188291766.db2.gz CKJMNKQBKJZKPS-CYBMUJFWSA-N 1 0 243.354 3.117 50 0 BGAARO CC(C)Cn1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000040163885 388412897 /nfs/dbraw/zinc/41/28/97/388412897.db2.gz QADQCKCDAZCMNW-CQSZACIVSA-N 1 0 245.370 3.348 50 0 BGAARO CC(C)Cn1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000040163886 259315880 /nfs/dbraw/zinc/31/58/80/259315880.db2.gz QADQCKCDAZCMNW-AWEZNQCLSA-N 1 0 245.370 3.348 50 0 BGAARO C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000040231783 188291897 /nfs/dbraw/zinc/29/18/97/188291897.db2.gz QMZDQXMZRTWWMX-NSHDSACASA-N 1 0 212.296 3.029 50 0 BGAARO C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000040231785 173449278 /nfs/dbraw/zinc/44/92/78/173449278.db2.gz QMZDQXMZRTWWMX-LLVKDONJSA-N 1 0 212.296 3.029 50 0 BGAARO C[NH2+]CCc1ccc(Oc2ccccc2)cc1 ZINC000040447863 173359791 /nfs/dbraw/zinc/35/97/91/173359791.db2.gz LWRSYTAVKJOXTB-UHFFFAOYSA-N 1 0 227.307 3.241 50 0 BGAARO c1ccc([C@H]2C[NH2+]C3(CCCC3)C2)cc1 ZINC000040449201 350364934 /nfs/dbraw/zinc/36/49/34/350364934.db2.gz UFFPSTWJEZJYPF-CYBMUJFWSA-N 1 0 201.313 3.076 50 0 BGAARO c1ccc([C@@H]2C[NH2+]C3(CCCC3)C2)cc1 ZINC000040449202 350365201 /nfs/dbraw/zinc/36/52/01/350365201.db2.gz UFFPSTWJEZJYPF-ZDUSSCGKSA-N 1 0 201.313 3.076 50 0 BGAARO c1ccc([C@H]2C[NH2+]C3(C2)CCCCC3)cc1 ZINC000040449203 357949875 /nfs/dbraw/zinc/94/98/75/357949875.db2.gz ZUOOIHKRWNHACT-CQSZACIVSA-N 1 0 215.340 3.466 50 0 BGAARO c1ccc([C@@H]2C[NH2+]C3(C2)CCCCC3)cc1 ZINC000040449204 350365177 /nfs/dbraw/zinc/36/51/77/350365177.db2.gz ZUOOIHKRWNHACT-AWEZNQCLSA-N 1 0 215.340 3.466 50 0 BGAARO COc1ccccc1-c1ccc([C@H](C)[NH3+])s1 ZINC000040449453 175310236 /nfs/dbraw/zinc/31/02/36/175310236.db2.gz SWKYQIISBONQQQ-VIFPVBQESA-N 1 0 233.336 3.443 50 0 BGAARO COc1ccccc1-c1ccc([C@@H](C)[NH3+])s1 ZINC000040449454 175310095 /nfs/dbraw/zinc/31/00/95/175310095.db2.gz SWKYQIISBONQQQ-SECBINFHSA-N 1 0 233.336 3.443 50 0 BGAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@H](CO)C1 ZINC000040455896 343275347 /nfs/dbraw/zinc/27/53/47/343275347.db2.gz FWFISHFNIWPLMS-GJZGRUSLSA-N 1 0 239.403 3.073 50 0 BGAARO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC[C@H](CO)C1 ZINC000040455899 343275511 /nfs/dbraw/zinc/27/55/11/343275511.db2.gz FWFISHFNIWPLMS-CABCVRRESA-N 1 0 239.403 3.073 50 0 BGAARO Cc1noc(C)c1C[N@@H+](C)C1CCCCC1 ZINC000040460788 387578783 /nfs/dbraw/zinc/57/87/83/387578783.db2.gz QDRLIOIJSQFIPP-UHFFFAOYSA-N 1 0 222.332 3.056 50 0 BGAARO CC[NH+](CC)Cc1ncc(-c2ccccc2)o1 ZINC000040465723 373281503 /nfs/dbraw/zinc/28/15/03/373281503.db2.gz MDQKOEWOEHTNOA-UHFFFAOYSA-N 1 0 230.311 3.183 50 0 BGAARO CC[N@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000040465759 373281531 /nfs/dbraw/zinc/28/15/31/373281531.db2.gz QGWDKFMUQGGAKQ-UHFFFAOYSA-N 1 0 244.338 3.314 50 0 BGAARO CC[N@H+](Cc1c(C)noc1C)C1CCCCC1 ZINC000040473255 388417463 /nfs/dbraw/zinc/41/74/63/388417463.db2.gz ZTNDHQNRGVSHIQ-UHFFFAOYSA-N 1 0 236.359 3.446 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)no1 ZINC000040473980 373293520 /nfs/dbraw/zinc/29/35/20/373293520.db2.gz RHQUDISNHHNXOT-OCCSQVGLSA-N 1 0 234.343 3.138 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)no1 ZINC000040473981 177990614 /nfs/dbraw/zinc/99/06/14/177990614.db2.gz RHQUDISNHHNXOT-JSGCOSHPSA-N 1 0 234.343 3.138 50 0 BGAARO CC[N@H+](Cc1cc(C)no1)Cc1ccccc1 ZINC000040475800 373294322 /nfs/dbraw/zinc/29/43/22/373294322.db2.gz BJEFVKKBKFTUIB-UHFFFAOYSA-N 1 0 230.311 3.005 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)on1 ZINC000040475818 373293624 /nfs/dbraw/zinc/29/36/24/373293624.db2.gz BURFPNCALNJPRQ-GFCCVEGCSA-N 1 0 248.351 3.382 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccs2)on1 ZINC000040475821 373293764 /nfs/dbraw/zinc/29/37/64/373293764.db2.gz BURFPNCALNJPRQ-LBPRGKRZSA-N 1 0 248.351 3.382 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)on1 ZINC000040475884 373293809 /nfs/dbraw/zinc/29/38/09/373293809.db2.gz ROYVYGFTSMNKCB-OCCSQVGLSA-N 1 0 234.343 3.138 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)on1 ZINC000040475887 373294264 /nfs/dbraw/zinc/29/42/64/373294264.db2.gz ROYVYGFTSMNKCB-JSGCOSHPSA-N 1 0 234.343 3.138 50 0 BGAARO Cc1cc(C[N@@H+](C)C2CCCCCC2)no1 ZINC000040477646 343405057 /nfs/dbraw/zinc/40/50/57/343405057.db2.gz PUMVFADRNWMSKD-UHFFFAOYSA-N 1 0 222.332 3.138 50 0 BGAARO Cc1cc(C[N@@H+](C)C2CCCCCC2)on1 ZINC000040477647 348779395 /nfs/dbraw/zinc/77/93/95/348779395.db2.gz PKKARALQZNATRX-UHFFFAOYSA-N 1 0 222.332 3.138 50 0 BGAARO Cc1cc(C[N@H+](Cc2ccccc2)C(C)C)on1 ZINC000040489653 373316103 /nfs/dbraw/zinc/31/61/03/373316103.db2.gz QDLJXDDIPPMMNN-UHFFFAOYSA-N 1 0 244.338 3.394 50 0 BGAARO CC(C)(C)C[NH2+]Cc1ccccc1Cl ZINC000040492260 343405230 /nfs/dbraw/zinc/40/52/30/343405230.db2.gz BHUUYVQLWINXJK-UHFFFAOYSA-N 1 0 211.736 3.476 50 0 BGAARO CC(C)(C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000040492266 343405077 /nfs/dbraw/zinc/40/50/77/343405077.db2.gz QLDILVBFVBIJKA-UHFFFAOYSA-N 1 0 211.736 3.476 50 0 BGAARO CC(C)(C)C[NH2+]CCCc1ccccc1 ZINC000040492698 166590942 /nfs/dbraw/zinc/59/09/42/166590942.db2.gz MHXDYMDKKIWCLK-UHFFFAOYSA-N 1 0 205.345 3.255 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)on1 ZINC000040528278 373456531 /nfs/dbraw/zinc/45/65/31/373456531.db2.gz ZDWFKCOGDRIQDL-CYBMUJFWSA-N 1 0 248.351 3.382 50 0 BGAARO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)on1 ZINC000040528279 373455629 /nfs/dbraw/zinc/45/56/29/373455629.db2.gz ZDWFKCOGDRIQDL-ZDUSSCGKSA-N 1 0 248.351 3.382 50 0 BGAARO [NH3+]C[C@H](CCOc1ccccc1)c1ccccc1 ZINC000040564446 384157592 /nfs/dbraw/zinc/15/75/92/384157592.db2.gz NRXXFQODABNHLX-HNNXBMFYSA-N 1 0 241.334 3.198 50 0 BGAARO [NH3+]C[C@@H](CCOc1ccccc1)c1ccccc1 ZINC000040564450 384157560 /nfs/dbraw/zinc/15/75/60/384157560.db2.gz NRXXFQODABNHLX-OAHLLOKOSA-N 1 0 241.334 3.198 50 0 BGAARO CC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731077 170127269 /nfs/dbraw/zinc/12/72/69/170127269.db2.gz MLZQXZCKTCVAJS-UHFFFAOYSA-N 1 0 227.735 3.237 50 0 BGAARO CC(C)Oc1ccc(C[NH2+]C2CC2)cc1Cl ZINC000040731129 167295111 /nfs/dbraw/zinc/29/51/11/167295111.db2.gz IETFZVJHZSQDOP-UHFFFAOYSA-N 1 0 239.746 3.379 50 0 BGAARO CCCCOCCC[NH2+]Cc1cccc(C)c1 ZINC000040731327 384163998 /nfs/dbraw/zinc/16/39/98/384163998.db2.gz UWWCHLUFLFLRPL-UHFFFAOYSA-N 1 0 235.371 3.291 50 0 BGAARO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cccs1 ZINC000040735226 386235980 /nfs/dbraw/zinc/23/59/80/386235980.db2.gz DNAPAWDSHLTEDV-NSHDSACASA-N 1 0 247.363 3.347 50 0 BGAARO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccs1 ZINC000040735229 388425356 /nfs/dbraw/zinc/42/53/56/388425356.db2.gz DNAPAWDSHLTEDV-LLVKDONJSA-N 1 0 247.363 3.347 50 0 BGAARO COc1ccccc1CC[NH2+]Cc1ccsc1 ZINC000040744346 175323388 /nfs/dbraw/zinc/32/33/88/175323388.db2.gz NFTWKHSFOWKLFC-UHFFFAOYSA-N 1 0 247.363 3.089 50 0 BGAARO CCCCOCCC[NH2+]Cc1ccsc1 ZINC000040744347 384117113 /nfs/dbraw/zinc/11/71/13/384117113.db2.gz XVVTYVHSJPKVED-UHFFFAOYSA-N 1 0 227.373 3.045 50 0 BGAARO CCCCOCCC[NH2+]Cc1sccc1C ZINC000040744353 384163259 /nfs/dbraw/zinc/16/32/59/384163259.db2.gz QWRIMHIRKIJXKI-UHFFFAOYSA-N 1 0 241.400 3.353 50 0 BGAARO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH3+] ZINC000040994005 384170654 /nfs/dbraw/zinc/17/06/54/384170654.db2.gz FIFNSIJCXIDHFH-SSDOTTSWSA-N 1 0 236.315 3.277 50 0 BGAARO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH3+] ZINC000040994008 384171824 /nfs/dbraw/zinc/17/18/24/384171824.db2.gz FIFNSIJCXIDHFH-ZETCQYMHSA-N 1 0 236.315 3.277 50 0 BGAARO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH3+] ZINC000040994017 384169583 /nfs/dbraw/zinc/16/95/83/384169583.db2.gz SRQCMMRUSQIPLF-SSDOTTSWSA-N 1 0 236.315 3.277 50 0 BGAARO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH3+] ZINC000040994019 384170503 /nfs/dbraw/zinc/17/05/03/384170503.db2.gz SRQCMMRUSQIPLF-ZETCQYMHSA-N 1 0 236.315 3.277 50 0 BGAARO COc1ccc(-c2nc(C)c([C@@H](C)[NH3+])s2)cc1 ZINC000040994052 175039100 /nfs/dbraw/zinc/03/91/00/175039100.db2.gz NWPHOKSRSZCFLY-MRVPVSSYSA-N 1 0 248.351 3.147 50 0 BGAARO COc1ccc(-c2nc(C)c([C@H](C)[NH3+])s2)cc1 ZINC000040994055 175038335 /nfs/dbraw/zinc/03/83/35/175038335.db2.gz NWPHOKSRSZCFLY-QMMMGPOBSA-N 1 0 248.351 3.147 50 0 BGAARO CC(C)(C)C[NH2+]CCc1ccc(F)cc1 ZINC000041051079 166590718 /nfs/dbraw/zinc/59/07/18/166590718.db2.gz YBODQYOSHYMZAY-UHFFFAOYSA-N 1 0 209.308 3.004 50 0 BGAARO CC(C)(C)C[NH2+]CCc1ccccc1F ZINC000041051098 343414276 /nfs/dbraw/zinc/41/42/76/343414276.db2.gz NEFZHCBRLDNRCD-UHFFFAOYSA-N 1 0 209.308 3.004 50 0 BGAARO CC(C)(C)C[NH2+]CCc1cccc(F)c1 ZINC000041051241 343414283 /nfs/dbraw/zinc/41/42/83/343414283.db2.gz AOZBQVHRKRFHHN-UHFFFAOYSA-N 1 0 209.308 3.004 50 0 BGAARO [NH3+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000041155484 181336782 /nfs/dbraw/zinc/33/67/82/181336782.db2.gz XRASMJNVWYIPFR-UHFFFAOYSA-N 1 0 249.358 3.235 50 0 BGAARO Cc1cccc(CC[NH2+]C2CCCC2)c1 ZINC000041212159 343416812 /nfs/dbraw/zinc/41/68/12/343416812.db2.gz PJFPYYOVJOBQPV-UHFFFAOYSA-N 1 0 203.329 3.070 50 0 BGAARO [NH3+]CCc1ccc(C2CCCCC2)cc1 ZINC000041212265 384891808 /nfs/dbraw/zinc/89/18/08/384891808.db2.gz MHGOQPARJBFLIO-UHFFFAOYSA-N 1 0 203.329 3.236 50 0 BGAARO C[C@@H](CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000041229583 343417339 /nfs/dbraw/zinc/41/73/39/343417339.db2.gz KPBOWSYPTSEMCL-QMMMGPOBSA-N 1 0 217.234 3.158 50 0 BGAARO C[C@H](CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000041229585 343417368 /nfs/dbraw/zinc/41/73/68/343417368.db2.gz KPBOWSYPTSEMCL-MRVPVSSYSA-N 1 0 217.234 3.158 50 0 BGAARO CC(C)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041229591 343417234 /nfs/dbraw/zinc/41/72/34/343417234.db2.gz ZIGRFQVTVOTIOG-JTQLQIEISA-N 1 0 217.234 3.361 50 0 BGAARO CC(C)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041229593 384182495 /nfs/dbraw/zinc/18/24/95/384182495.db2.gz ZIGRFQVTVOTIOG-SNVBAGLBSA-N 1 0 217.234 3.361 50 0 BGAARO Cc1ccccc1OCC[NH2+]CCC(C)C ZINC000041238229 179311023 /nfs/dbraw/zinc/31/10/23/179311023.db2.gz WKTIDXSRAKZYFL-UHFFFAOYSA-N 1 0 221.344 3.010 50 0 BGAARO Cc1cccc([C@H]2[NH2+]CCc3sccc32)c1 ZINC000041251824 179205206 /nfs/dbraw/zinc/20/52/06/179205206.db2.gz PSZAVHPLMLYELA-CQSZACIVSA-N 1 0 229.348 3.292 50 0 BGAARO Cc1cccc([C@@H]2[NH2+]CCc3sccc32)c1 ZINC000041251826 384185097 /nfs/dbraw/zinc/18/50/97/384185097.db2.gz PSZAVHPLMLYELA-AWEZNQCLSA-N 1 0 229.348 3.292 50 0 BGAARO Clc1ccc(NCCC[NH+]2CCCC2)cc1 ZINC000041281344 343418212 /nfs/dbraw/zinc/41/82/12/343418212.db2.gz HFMAVDJZGULKIP-UHFFFAOYSA-N 1 0 238.762 3.238 50 0 BGAARO Cc1ccc(C[N@H+](C)Cc2ccco2)cc1 ZINC000041392364 374138277 /nfs/dbraw/zinc/13/82/77/374138277.db2.gz FTXURFBCSHDNHR-UHFFFAOYSA-N 1 0 215.296 3.220 50 0 BGAARO COc1ccc2[nH+]c(C)cc(NC3CC3)c2c1 ZINC000041474194 175227389 /nfs/dbraw/zinc/22/73/89/175227389.db2.gz WIPMPWIXUQSXCB-UHFFFAOYSA-N 1 0 228.295 3.126 50 0 BGAARO O=C(C[NH2+]C1CCCCCC1)c1ccc(F)cc1 ZINC000041612202 343422255 /nfs/dbraw/zinc/42/22/55/343422255.db2.gz GGXWMOBHXFJBDU-UHFFFAOYSA-N 1 0 249.329 3.321 50 0 BGAARO Cc1cccc(OCCC[NH2+]CCC(C)C)c1 ZINC000041626139 179166823 /nfs/dbraw/zinc/16/68/23/179166823.db2.gz FDUFXXCNCBAJPG-UHFFFAOYSA-N 1 0 235.371 3.400 50 0 BGAARO C[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000041664080 343422542 /nfs/dbraw/zinc/42/25/42/343422542.db2.gz RTJCYJHRXNHNCB-LURJTMIESA-N 1 0 204.100 3.056 50 0 BGAARO C[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000041664086 176662704 /nfs/dbraw/zinc/66/27/04/176662704.db2.gz RTJCYJHRXNHNCB-ZCFIWIBFSA-N 1 0 204.100 3.056 50 0 BGAARO Cc1ccc(C)c(C[NH2+]CCC(C)C)c1 ZINC000042209201 384206571 /nfs/dbraw/zinc/20/65/71/384206571.db2.gz BHNYONHYQZUCKD-UHFFFAOYSA-N 1 0 205.345 3.439 50 0 BGAARO Cc1ccc(C)c(C[NH2+][C@@H](C)C(C)C)c1 ZINC000042209299 178475134 /nfs/dbraw/zinc/47/51/34/178475134.db2.gz XHZDDZNHTGXHDU-ZDUSSCGKSA-N 1 0 205.345 3.438 50 0 BGAARO Cc1ccc(C)c(C[NH2+][C@H](C)C(C)C)c1 ZINC000042209301 384206651 /nfs/dbraw/zinc/20/66/51/384206651.db2.gz XHZDDZNHTGXHDU-CYBMUJFWSA-N 1 0 205.345 3.438 50 0 BGAARO CC[NH+](CC)Cc1cccc(Br)c1 ZINC000042211192 343431225 /nfs/dbraw/zinc/43/12/25/343431225.db2.gz JWLUYLGYSHJTMQ-UHFFFAOYSA-N 1 0 242.160 3.291 50 0 BGAARO CC(C)[N@H+](C)Cc1cc(Br)cs1 ZINC000042253655 188119892 /nfs/dbraw/zinc/11/98/92/188119892.db2.gz UNULGRIYHXRMNU-UHFFFAOYSA-N 1 0 248.189 3.351 50 0 BGAARO C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000042372938 384214748 /nfs/dbraw/zinc/21/47/48/384214748.db2.gz BSTLZINVBRVVNS-SECBINFHSA-N 1 0 232.352 3.399 50 0 BGAARO C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000042372939 173420446 /nfs/dbraw/zinc/42/04/46/173420446.db2.gz BSTLZINVBRVVNS-VIFPVBQESA-N 1 0 232.352 3.399 50 0 BGAARO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@H](O)C1 ZINC000042465250 323249997 /nfs/dbraw/zinc/24/99/97/323249997.db2.gz DUVCPZKQVRGBMO-CABCVRRESA-N 1 0 239.403 3.216 50 0 BGAARO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000042538603 342777292 /nfs/dbraw/zinc/77/72/92/342777292.db2.gz MLVAEKDBRFAPNQ-KGLIPLIRSA-N 1 0 249.402 3.078 50 0 BGAARO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000042538606 188120875 /nfs/dbraw/zinc/12/08/75/188120875.db2.gz MLVAEKDBRFAPNQ-KBPBESRZSA-N 1 0 249.402 3.078 50 0 BGAARO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000042538609 187947921 /nfs/dbraw/zinc/94/79/21/187947921.db2.gz MLVAEKDBRFAPNQ-ZIAGYGMSSA-N 1 0 249.402 3.078 50 0 BGAARO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000042538612 388444326 /nfs/dbraw/zinc/44/43/26/388444326.db2.gz MLVAEKDBRFAPNQ-UONOGXRCSA-N 1 0 249.402 3.078 50 0 BGAARO CC[C@@H](C)c1ccc(OC2C[NH2+]C2)c(Cl)c1 ZINC000042769616 384239931 /nfs/dbraw/zinc/23/99/31/384239931.db2.gz RQTMMSXQQLRMMN-SECBINFHSA-N 1 0 239.746 3.204 50 0 BGAARO CC[C@H](C)c1ccc(OC2C[NH2+]C2)c(Cl)c1 ZINC000042769620 384240939 /nfs/dbraw/zinc/24/09/39/384240939.db2.gz RQTMMSXQQLRMMN-VIFPVBQESA-N 1 0 239.746 3.204 50 0 BGAARO CC[C@@H](C)c1cc(Cl)ccc1OC1C[NH2+]C1 ZINC000042769658 384239890 /nfs/dbraw/zinc/23/98/90/384239890.db2.gz WJJBOCWUEIEOAL-SECBINFHSA-N 1 0 239.746 3.204 50 0 BGAARO CC[C@H](C)c1cc(Cl)ccc1OC1C[NH2+]C1 ZINC000042769662 517809437 /nfs/dbraw/zinc/80/94/37/517809437.db2.gz WJJBOCWUEIEOAL-VIFPVBQESA-N 1 0 239.746 3.204 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770711 384239094 /nfs/dbraw/zinc/23/90/94/384239094.db2.gz ZWRCFESYFJDOCC-CYBMUJFWSA-N 1 0 247.382 3.281 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770715 384239868 /nfs/dbraw/zinc/23/98/68/384239868.db2.gz ZWRCFESYFJDOCC-ZDUSSCGKSA-N 1 0 247.382 3.281 50 0 BGAARO Cc1ccc(OC[C@@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042771266 384242454 /nfs/dbraw/zinc/24/24/54/384242454.db2.gz AFAIVKYAXGZUBD-CYBMUJFWSA-N 1 0 247.382 3.281 50 0 BGAARO Cc1ccc(OC[C@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042771269 384242610 /nfs/dbraw/zinc/24/26/10/384242610.db2.gz AFAIVKYAXGZUBD-ZDUSSCGKSA-N 1 0 247.382 3.281 50 0 BGAARO C(CC1CCCCC1)OCCC1CC[NH2+]CC1 ZINC000042771533 384242134 /nfs/dbraw/zinc/24/21/34/384242134.db2.gz HCPMQRTVRUOBTG-UHFFFAOYSA-N 1 0 239.403 3.363 50 0 BGAARO C(CC1CCCCC1)OCC[C@@H]1CCC[NH2+]C1 ZINC000042771537 384243186 /nfs/dbraw/zinc/24/31/86/384243186.db2.gz DZRYVJCMMJWBOE-HNNXBMFYSA-N 1 0 239.403 3.363 50 0 BGAARO C(CC1CCCCC1)OCC[C@H]1CCC[NH2+]C1 ZINC000042771540 188294654 /nfs/dbraw/zinc/29/46/54/188294654.db2.gz DZRYVJCMMJWBOE-OAHLLOKOSA-N 1 0 239.403 3.363 50 0 BGAARO Clc1ccccc1OCCC1CC[NH2+]CC1 ZINC000042772217 343451829 /nfs/dbraw/zinc/45/18/29/343451829.db2.gz SWANRSFKUYTVQZ-UHFFFAOYSA-N 1 0 239.746 3.109 50 0 BGAARO Clc1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772221 343451471 /nfs/dbraw/zinc/45/14/71/343451471.db2.gz GUGPBDIAEFNYQI-NSHDSACASA-N 1 0 239.746 3.109 50 0 BGAARO Clc1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772225 180595584 /nfs/dbraw/zinc/59/55/84/180595584.db2.gz GUGPBDIAEFNYQI-LLVKDONJSA-N 1 0 239.746 3.109 50 0 BGAARO CC[C@@H](C)c1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000042772490 170806202 /nfs/dbraw/zinc/80/62/02/170806202.db2.gz LHDGPNMSYPXKKJ-CHWSQXEVSA-N 1 0 233.355 3.188 50 0 BGAARO CC[C@H](C)c1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000042772494 384242197 /nfs/dbraw/zinc/24/21/97/384242197.db2.gz LHDGPNMSYPXKKJ-QWHCGFSZSA-N 1 0 233.355 3.188 50 0 BGAARO CC[C@@H](C)c1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000042772499 170806251 /nfs/dbraw/zinc/80/62/51/170806251.db2.gz LHDGPNMSYPXKKJ-OLZOCXBDSA-N 1 0 233.355 3.188 50 0 BGAARO CC[C@H](C)c1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000042772503 384242380 /nfs/dbraw/zinc/24/23/80/384242380.db2.gz LHDGPNMSYPXKKJ-STQMWFEESA-N 1 0 233.355 3.188 50 0 BGAARO Cc1cccc(OCC[C@@H]2CCC[NH2+]C2)c1C ZINC000042772517 179170033 /nfs/dbraw/zinc/17/00/33/179170033.db2.gz YMGAMDCRYDCKIN-AWEZNQCLSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cccc(OCC[C@H]2CCC[NH2+]C2)c1C ZINC000042772521 179169496 /nfs/dbraw/zinc/16/94/96/179169496.db2.gz YMGAMDCRYDCKIN-CQSZACIVSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cc(C)c(C)c(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772533 177853635 /nfs/dbraw/zinc/85/36/35/177853635.db2.gz SBLHZHVHBRNAKN-HNNXBMFYSA-N 1 0 247.382 3.380 50 0 BGAARO Cc1cc(C)c(C)c(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772537 384243215 /nfs/dbraw/zinc/24/32/15/384243215.db2.gz SBLHZHVHBRNAKN-OAHLLOKOSA-N 1 0 247.382 3.380 50 0 BGAARO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000042772548 384242778 /nfs/dbraw/zinc/24/27/78/384242778.db2.gz OSSKTTHGZDFJGP-AWEZNQCLSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000042772552 384243386 /nfs/dbraw/zinc/24/33/86/384243386.db2.gz OSSKTTHGZDFJGP-CQSZACIVSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1ccc(C(C)C)cc1OC[C@@H]1CC[NH2+]C1 ZINC000042772564 384241862 /nfs/dbraw/zinc/24/18/62/384241862.db2.gz YPQUGBVSYKFKJE-CYBMUJFWSA-N 1 0 233.355 3.107 50 0 BGAARO Cc1ccc(C(C)C)cc1OC[C@H]1CC[NH2+]C1 ZINC000042772569 384242317 /nfs/dbraw/zinc/24/23/17/384242317.db2.gz YPQUGBVSYKFKJE-ZDUSSCGKSA-N 1 0 233.355 3.107 50 0 BGAARO Cc1ccc(C)c(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772572 384242230 /nfs/dbraw/zinc/24/22/30/384242230.db2.gz WFWMEQQIYNFHOF-AWEZNQCLSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1ccc(C)c(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772577 384242743 /nfs/dbraw/zinc/24/27/43/384242743.db2.gz WFWMEQQIYNFHOF-CQSZACIVSA-N 1 0 233.355 3.072 50 0 BGAARO CCc1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772589 384242876 /nfs/dbraw/zinc/24/28/76/384242876.db2.gz KVIOKKUXTMCTCE-ZDUSSCGKSA-N 1 0 233.355 3.018 50 0 BGAARO CCc1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772593 384242915 /nfs/dbraw/zinc/24/29/15/384242915.db2.gz KVIOKKUXTMCTCE-CYBMUJFWSA-N 1 0 233.355 3.018 50 0 BGAARO CCCc1ccccc1OCCC1CC[NH2+]CC1 ZINC000042772623 343451637 /nfs/dbraw/zinc/45/16/37/343451637.db2.gz NJFUJAFZOFFLCY-UHFFFAOYSA-N 1 0 247.382 3.408 50 0 BGAARO CCCc1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772627 343451513 /nfs/dbraw/zinc/45/15/13/343451513.db2.gz SGUUTGBKAOAPAV-AWEZNQCLSA-N 1 0 247.382 3.408 50 0 BGAARO CCCc1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772630 343451839 /nfs/dbraw/zinc/45/18/39/343451839.db2.gz SGUUTGBKAOAPAV-CQSZACIVSA-N 1 0 247.382 3.408 50 0 BGAARO Clc1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000042772670 180592113 /nfs/dbraw/zinc/59/21/13/180592113.db2.gz LXUHGRSTMHOZBA-UHFFFAOYSA-N 1 0 239.746 3.109 50 0 BGAARO Clc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000042772674 343451745 /nfs/dbraw/zinc/45/17/45/343451745.db2.gz OCJYODIVRGUTIB-LBPRGKRZSA-N 1 0 239.746 3.251 50 0 BGAARO Clc1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000042772678 343451610 /nfs/dbraw/zinc/45/16/10/343451610.db2.gz OCJYODIVRGUTIB-GFCCVEGCSA-N 1 0 239.746 3.251 50 0 BGAARO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1C ZINC000042772832 322908696 /nfs/dbraw/zinc/90/86/96/322908696.db2.gz SKMQJCBVNDZUCG-AWEZNQCLSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1C ZINC000042772836 188294420 /nfs/dbraw/zinc/29/44/20/188294420.db2.gz SKMQJCBVNDZUCG-CQSZACIVSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cc(C)cc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772846 343451951 /nfs/dbraw/zinc/45/19/51/343451951.db2.gz CGZYMBXSDMNTDO-AWEZNQCLSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1cc(C)cc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772850 343451825 /nfs/dbraw/zinc/45/18/25/343451825.db2.gz CGZYMBXSDMNTDO-CQSZACIVSA-N 1 0 233.355 3.072 50 0 BGAARO Cc1ccc(C(C)C)c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000042772869 178452251 /nfs/dbraw/zinc/45/22/51/178452251.db2.gz HEEGCKSVHWVAJV-CYBMUJFWSA-N 1 0 233.355 3.107 50 0 BGAARO Cc1ccc(C(C)C)c(OC[C@H]2CC[NH2+]C2)c1 ZINC000042772873 384243457 /nfs/dbraw/zinc/24/34/57/384243457.db2.gz HEEGCKSVHWVAJV-ZDUSSCGKSA-N 1 0 233.355 3.107 50 0 BGAARO CCc1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772877 171866317 /nfs/dbraw/zinc/86/63/17/171866317.db2.gz QYKQOENMHNHCHE-AWEZNQCLSA-N 1 0 233.355 3.018 50 0 BGAARO CCc1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772881 171866059 /nfs/dbraw/zinc/86/60/59/171866059.db2.gz QYKQOENMHNHCHE-CQSZACIVSA-N 1 0 233.355 3.018 50 0 BGAARO Clc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042772905 343451617 /nfs/dbraw/zinc/45/16/17/343451617.db2.gz BPPHYMXHYBCROA-UHFFFAOYSA-N 1 0 239.746 3.109 50 0 BGAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042772909 343451710 /nfs/dbraw/zinc/45/17/10/343451710.db2.gz LHWRQOMOHYDNMP-NSHDSACASA-N 1 0 239.746 3.109 50 0 BGAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042772911 343451845 /nfs/dbraw/zinc/45/18/45/343451845.db2.gz LHWRQOMOHYDNMP-LLVKDONJSA-N 1 0 239.746 3.109 50 0 BGAARO CCC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773184 168306217 /nfs/dbraw/zinc/30/62/17/168306217.db2.gz ISYULXAQOIQCNR-CYBMUJFWSA-N 1 0 247.382 3.363 50 0 BGAARO CCC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773187 168305831 /nfs/dbraw/zinc/30/58/31/168305831.db2.gz ISYULXAQOIQCNR-ZDUSSCGKSA-N 1 0 247.382 3.363 50 0 BGAARO CC[C@@H](C)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773245 384243524 /nfs/dbraw/zinc/24/35/24/384243524.db2.gz VJXPVHPUAFHQRN-CHWSQXEVSA-N 1 0 233.355 3.188 50 0 BGAARO CC[C@H](C)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773249 384242150 /nfs/dbraw/zinc/24/21/50/384242150.db2.gz VJXPVHPUAFHQRN-QWHCGFSZSA-N 1 0 233.355 3.188 50 0 BGAARO CC[C@@H](C)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773253 170804342 /nfs/dbraw/zinc/80/43/42/170804342.db2.gz VJXPVHPUAFHQRN-OLZOCXBDSA-N 1 0 233.355 3.188 50 0 BGAARO CC[C@H](C)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773257 171410436 /nfs/dbraw/zinc/41/04/36/171410436.db2.gz VJXPVHPUAFHQRN-STQMWFEESA-N 1 0 233.355 3.188 50 0 BGAARO CCc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773303 188120384 /nfs/dbraw/zinc/12/03/84/188120384.db2.gz TVUFHNRFGPSSPF-AWEZNQCLSA-N 1 0 233.355 3.018 50 0 BGAARO CCc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773308 322908777 /nfs/dbraw/zinc/90/87/77/322908777.db2.gz TVUFHNRFGPSSPF-CQSZACIVSA-N 1 0 233.355 3.018 50 0 BGAARO CCCc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773320 169572672 /nfs/dbraw/zinc/57/26/72/169572672.db2.gz ULWFFHZZRIXBSB-UHFFFAOYSA-N 1 0 247.382 3.408 50 0 BGAARO CCCc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773324 343451968 /nfs/dbraw/zinc/45/19/68/343451968.db2.gz BPGMRMOMHGCAPV-HNNXBMFYSA-N 1 0 247.382 3.408 50 0 BGAARO CCCc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773328 343451985 /nfs/dbraw/zinc/45/19/85/343451985.db2.gz BPGMRMOMHGCAPV-OAHLLOKOSA-N 1 0 247.382 3.408 50 0 BGAARO Cc1cc(OC[C@@H]2CC[NH2+]C2)ccc1C(C)C ZINC000042773557 178211761 /nfs/dbraw/zinc/21/17/61/178211761.db2.gz TULPNYRHZYOSJU-CYBMUJFWSA-N 1 0 233.355 3.107 50 0 BGAARO Cc1cc(OC[C@H]2CC[NH2+]C2)ccc1C(C)C ZINC000042773561 178212198 /nfs/dbraw/zinc/21/21/98/178212198.db2.gz TULPNYRHZYOSJU-ZDUSSCGKSA-N 1 0 233.355 3.107 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774920 384242158 /nfs/dbraw/zinc/24/21/58/384242158.db2.gz HMJBUYLSJNAKEP-CQSZACIVSA-N 1 0 247.382 3.423 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774923 384242720 /nfs/dbraw/zinc/24/27/20/384242720.db2.gz HMJBUYLSJNAKEP-AWEZNQCLSA-N 1 0 247.382 3.423 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774939 177828828 /nfs/dbraw/zinc/82/88/28/177828828.db2.gz JZKWOGYNDAOINA-CYBMUJFWSA-N 1 0 233.355 3.033 50 0 BGAARO Cc1cc(C(C)(C)C)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774943 384242868 /nfs/dbraw/zinc/24/28/68/384242868.db2.gz JZKWOGYNDAOINA-ZDUSSCGKSA-N 1 0 233.355 3.033 50 0 BGAARO Cc1cc(C)c(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042774947 384242773 /nfs/dbraw/zinc/24/27/73/384242773.db2.gz XNPAPJNMQHIQPV-LLVKDONJSA-N 1 0 239.746 3.088 50 0 BGAARO Cc1cc(C)c(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042774950 384241854 /nfs/dbraw/zinc/24/18/54/384241854.db2.gz XNPAPJNMQHIQPV-NSHDSACASA-N 1 0 239.746 3.088 50 0 BGAARO Cc1cc(C)c(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042774954 384242679 /nfs/dbraw/zinc/24/26/79/384242679.db2.gz PZZXIUAWWWFUHV-UHFFFAOYSA-N 1 0 239.746 3.088 50 0 BGAARO CC(C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775029 343452593 /nfs/dbraw/zinc/45/25/93/343452593.db2.gz OSMLLGDFAWBBSK-LLVKDONJSA-N 1 0 239.746 3.204 50 0 BGAARO CC(C)c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775033 167611286 /nfs/dbraw/zinc/61/12/86/167611286.db2.gz OSMLLGDFAWBBSK-NSHDSACASA-N 1 0 239.746 3.204 50 0 BGAARO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775113 384242891 /nfs/dbraw/zinc/24/28/91/384242891.db2.gz ATQNVMWDMGIIJM-LLVKDONJSA-N 1 0 239.746 3.027 50 0 BGAARO Cc1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775117 384241745 /nfs/dbraw/zinc/24/17/45/384241745.db2.gz ATQNVMWDMGIIJM-NSHDSACASA-N 1 0 239.746 3.027 50 0 BGAARO Cc1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775121 384241947 /nfs/dbraw/zinc/24/19/47/384241947.db2.gz DLMRPHMXWSNEMW-UHFFFAOYSA-N 1 0 239.746 3.027 50 0 BGAARO CCc1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775132 384242911 /nfs/dbraw/zinc/24/29/11/384242911.db2.gz KICNUBODZAXVQA-LLVKDONJSA-N 1 0 239.746 3.033 50 0 BGAARO CCc1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775136 188478008 /nfs/dbraw/zinc/47/80/08/188478008.db2.gz KICNUBODZAXVQA-NSHDSACASA-N 1 0 239.746 3.033 50 0 BGAARO CCc1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775140 384243408 /nfs/dbraw/zinc/24/34/08/384243408.db2.gz KEJZYZYFHYPUOH-UHFFFAOYSA-N 1 0 239.746 3.033 50 0 BGAARO CC(C)c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042775187 343452315 /nfs/dbraw/zinc/45/23/15/343452315.db2.gz QFVYOCNFZHPTTN-LLVKDONJSA-N 1 0 239.746 3.204 50 0 BGAARO CC(C)c1cc(Cl)ccc1O[C@H]1CC[NH2+]C1 ZINC000042775191 343452328 /nfs/dbraw/zinc/45/23/28/343452328.db2.gz QFVYOCNFZHPTTN-NSHDSACASA-N 1 0 239.746 3.204 50 0 BGAARO CCc1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775215 171760230 /nfs/dbraw/zinc/76/02/30/171760230.db2.gz RFFQIABXQUTING-GFCCVEGCSA-N 1 0 239.746 3.033 50 0 BGAARO CCc1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775219 343452623 /nfs/dbraw/zinc/45/26/23/343452623.db2.gz RFFQIABXQUTING-LBPRGKRZSA-N 1 0 239.746 3.033 50 0 BGAARO CCc1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000042775223 171760172 /nfs/dbraw/zinc/76/01/72/171760172.db2.gz ACBAMBGSIWNLTL-UHFFFAOYSA-N 1 0 239.746 3.033 50 0 BGAARO Cc1ccc(O[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042775575 178818102 /nfs/dbraw/zinc/81/81/02/178818102.db2.gz KSCSOKWEDNGWKK-CYBMUJFWSA-N 1 0 247.382 3.423 50 0 BGAARO Cc1ccc(O[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042775579 178819097 /nfs/dbraw/zinc/81/90/97/178819097.db2.gz KSCSOKWEDNGWKK-ZDUSSCGKSA-N 1 0 247.382 3.423 50 0 BGAARO CCc1cc(O[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000042775806 171773039 /nfs/dbraw/zinc/77/30/39/171773039.db2.gz NQWHBGPNCOEESO-GFCCVEGCSA-N 1 0 239.746 3.033 50 0 BGAARO CCc1cc(O[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000042775810 343452537 /nfs/dbraw/zinc/45/25/37/343452537.db2.gz NQWHBGPNCOEESO-LBPRGKRZSA-N 1 0 239.746 3.033 50 0 BGAARO CCc1cc(OC2CC[NH2+]CC2)ccc1Cl ZINC000042775814 171773106 /nfs/dbraw/zinc/77/31/06/171773106.db2.gz NJBVNOVUZBNSPB-UHFFFAOYSA-N 1 0 239.746 3.033 50 0 BGAARO CC(C)c1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000042776002 167600135 /nfs/dbraw/zinc/60/01/35/167600135.db2.gz OWLYNBFPSUUCDD-OAHLLOKOSA-N 1 0 233.355 3.079 50 0 BGAARO CC(C)c1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000042776006 167600181 /nfs/dbraw/zinc/60/01/81/167600181.db2.gz OWLYNBFPSUUCDD-HNNXBMFYSA-N 1 0 233.355 3.079 50 0 BGAARO CC(C)c1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042776010 343452523 /nfs/dbraw/zinc/45/25/23/343452523.db2.gz ADXSZWWBMUGLLX-OAHLLOKOSA-N 1 0 247.382 3.326 50 0 BGAARO CC(C)c1ccc(COC[C@H]2CCC[NH2+]C2)cc1 ZINC000042776014 343452222 /nfs/dbraw/zinc/45/22/22/343452222.db2.gz ADXSZWWBMUGLLX-HNNXBMFYSA-N 1 0 247.382 3.326 50 0 BGAARO CC(C)c1ccc(COCC2CC[NH2+]CC2)cc1 ZINC000042776018 167599109 /nfs/dbraw/zinc/59/91/09/167599109.db2.gz TXWNDKLFIQHKID-UHFFFAOYSA-N 1 0 247.382 3.326 50 0 BGAARO CC(C)(C)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000042776191 343452451 /nfs/dbraw/zinc/45/24/51/343452451.db2.gz XHZSWKGADCVURC-GFCCVEGCSA-N 1 0 233.355 3.115 50 0 BGAARO CC(C)(C)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000042776195 343452170 /nfs/dbraw/zinc/45/21/70/343452170.db2.gz XHZSWKGADCVURC-LBPRGKRZSA-N 1 0 233.355 3.115 50 0 BGAARO CC[C@@H](C)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000042776206 384242397 /nfs/dbraw/zinc/24/23/97/384242397.db2.gz ODENOIOMCOQKCN-CHWSQXEVSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@H](C)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000042776211 384242994 /nfs/dbraw/zinc/24/29/94/384242994.db2.gz ODENOIOMCOQKCN-QWHCGFSZSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@@H](C)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000042776215 170805880 /nfs/dbraw/zinc/80/58/80/170805880.db2.gz ODENOIOMCOQKCN-OLZOCXBDSA-N 1 0 233.355 3.331 50 0 BGAARO CC[C@H](C)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000042776219 384242014 /nfs/dbraw/zinc/24/20/14/384242014.db2.gz ODENOIOMCOQKCN-STQMWFEESA-N 1 0 233.355 3.331 50 0 BGAARO CCCc1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042776250 343452266 /nfs/dbraw/zinc/45/22/66/343452266.db2.gz URIAEQPSUGSLOE-CYBMUJFWSA-N 1 0 233.355 3.018 50 0 BGAARO CCCc1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000042776254 169579100 /nfs/dbraw/zinc/57/91/00/169579100.db2.gz URIAEQPSUGSLOE-ZDUSSCGKSA-N 1 0 233.355 3.018 50 0 BGAARO CCCc1ccccc1OCC1CC[NH2+]CC1 ZINC000042776258 343452599 /nfs/dbraw/zinc/45/25/99/343452599.db2.gz PPHIYDGKKZEIPW-UHFFFAOYSA-N 1 0 233.355 3.018 50 0 BGAARO CC(C)(C)c1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000042776284 188120284 /nfs/dbraw/zinc/12/02/84/188120284.db2.gz OQGQYBWUFAMNGA-CQSZACIVSA-N 1 0 233.355 3.115 50 0 BGAARO CC(C)(C)c1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000042776288 187604053 /nfs/dbraw/zinc/60/40/53/187604053.db2.gz OQGQYBWUFAMNGA-AWEZNQCLSA-N 1 0 233.355 3.115 50 0 BGAARO CC(C)(C)c1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000042776292 322908575 /nfs/dbraw/zinc/90/85/75/322908575.db2.gz IPZVQJQAINEFKN-CYBMUJFWSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)(C)c1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000042776296 188294885 /nfs/dbraw/zinc/29/48/85/188294885.db2.gz IPZVQJQAINEFKN-ZDUSSCGKSA-N 1 0 247.382 3.363 50 0 BGAARO CC(C)(C)c1cccc(OCC2CC[NH2+]CC2)c1 ZINC000042776300 343452612 /nfs/dbraw/zinc/45/26/12/343452612.db2.gz DLADCIIGJHXFGI-UHFFFAOYSA-N 1 0 247.382 3.363 50 0 BGAARO CCC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000042782875 168305648 /nfs/dbraw/zinc/30/56/48/168305648.db2.gz GFAUUKNFQVKDAP-CQSZACIVSA-N 1 0 233.355 3.115 50 0 BGAARO CCC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000042782876 168306088 /nfs/dbraw/zinc/30/60/88/168306088.db2.gz GFAUUKNFQVKDAP-AWEZNQCLSA-N 1 0 233.355 3.115 50 0 BGAARO Cc1cc(O[C@@H]2CCC[NH2+]C2)ccc1C(C)C ZINC000042782896 178213189 /nfs/dbraw/zinc/21/31/89/178213189.db2.gz XYYIRMKWYWLLNE-CQSZACIVSA-N 1 0 233.355 3.249 50 0 BGAARO Cc1cc(O[C@H]2CCC[NH2+]C2)ccc1C(C)C ZINC000042782897 178214120 /nfs/dbraw/zinc/21/41/20/178214120.db2.gz XYYIRMKWYWLLNE-AWEZNQCLSA-N 1 0 233.355 3.249 50 0 BGAARO c1ccc(CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042784220 183391214 /nfs/dbraw/zinc/39/12/14/183391214.db2.gz UUCYUPRGHXODQD-CQSZACIVSA-N 1 0 203.329 3.009 50 0 BGAARO c1ccc(CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042784221 183391921 /nfs/dbraw/zinc/39/19/21/183391921.db2.gz UUCYUPRGHXODQD-AWEZNQCLSA-N 1 0 203.329 3.009 50 0 BGAARO CC(C)S[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019602 167335905 /nfs/dbraw/zinc/33/59/05/167335905.db2.gz GWFDHJPBUJHSOB-NSHDSACASA-N 1 0 229.776 3.481 50 0 BGAARO CC(C)S[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019604 167335070 /nfs/dbraw/zinc/33/50/70/167335070.db2.gz GWFDHJPBUJHSOB-LLVKDONJSA-N 1 0 229.776 3.481 50 0 BGAARO O=C(c1ccccc1C[NH+]1CCCC1)C1CCC1 ZINC000043211588 343465974 /nfs/dbraw/zinc/46/59/74/343465974.db2.gz VOJYXYVOZKXUKP-UHFFFAOYSA-N 1 0 243.350 3.265 50 0 BGAARO c1ccc2[nH]c(C[NH2+]CC3CCCCC3)nc2c1 ZINC000043258176 384267347 /nfs/dbraw/zinc/26/73/47/384267347.db2.gz QOUWTEPLOKGCEU-UHFFFAOYSA-N 1 0 243.354 3.233 50 0 BGAARO Clc1ccc(SC[C@@H]2CCC[NH2+]C2)cc1 ZINC000043471565 343474581 /nfs/dbraw/zinc/47/45/81/343474581.db2.gz UKDPUPOLLDRMKN-SNVBAGLBSA-N 1 0 241.787 3.432 50 0 BGAARO Clc1ccc(SC[C@H]2CCC[NH2+]C2)cc1 ZINC000043471567 343474626 /nfs/dbraw/zinc/47/46/26/343474626.db2.gz UKDPUPOLLDRMKN-JTQLQIEISA-N 1 0 241.787 3.432 50 0 BGAARO Cc1ccc(SC[C@@H]2CCC[NH2+]C2)cc1 ZINC000043471572 384279082 /nfs/dbraw/zinc/27/90/82/384279082.db2.gz VGCMVZLSOZCUNM-GFCCVEGCSA-N 1 0 221.369 3.087 50 0 BGAARO Cc1ccc(SC[C@H]2CCC[NH2+]C2)cc1 ZINC000043471574 384279535 /nfs/dbraw/zinc/27/95/35/384279535.db2.gz VGCMVZLSOZCUNM-LBPRGKRZSA-N 1 0 221.369 3.087 50 0 BGAARO C(SC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000043471782 343474742 /nfs/dbraw/zinc/47/47/42/343474742.db2.gz NKRODQBMSINKID-LLVKDONJSA-N 1 0 213.390 3.052 50 0 BGAARO C(SC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000043471784 343474718 /nfs/dbraw/zinc/47/47/18/343474718.db2.gz NKRODQBMSINKID-NSHDSACASA-N 1 0 213.390 3.052 50 0 BGAARO Oc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000043476620 183270118 /nfs/dbraw/zinc/27/01/18/183270118.db2.gz HGIMLQKHXQSKOZ-UHFFFAOYSA-N 1 0 239.746 3.468 50 0 BGAARO Oc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000043476636 183269175 /nfs/dbraw/zinc/26/91/75/183269175.db2.gz HGXBPFREZRSJEW-UHFFFAOYSA-N 1 0 225.719 3.078 50 0 BGAARO Cc1ccc(SC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043495092 384278769 /nfs/dbraw/zinc/27/87/69/384278769.db2.gz RVIYWKWLPJSHHM-LBPRGKRZSA-N 1 0 221.369 3.229 50 0 BGAARO Cc1ccc(SC[C@H]2CCCC[NH2+]2)cc1 ZINC000043495094 178828326 /nfs/dbraw/zinc/82/83/26/178828326.db2.gz RVIYWKWLPJSHHM-GFCCVEGCSA-N 1 0 221.369 3.229 50 0 BGAARO Fc1ccc(SC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043495129 343475147 /nfs/dbraw/zinc/47/51/47/343475147.db2.gz DUNOIBBUFFDGDC-NSHDSACASA-N 1 0 225.332 3.060 50 0 BGAARO Fc1ccc(SC[C@H]2CCCC[NH2+]2)cc1 ZINC000043495130 343475387 /nfs/dbraw/zinc/47/53/87/343475387.db2.gz DUNOIBBUFFDGDC-LLVKDONJSA-N 1 0 225.332 3.060 50 0 BGAARO C(SC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000043495440 384279166 /nfs/dbraw/zinc/27/91/66/384279166.db2.gz MMZUDWGEEIZVQQ-NSHDSACASA-N 1 0 213.390 3.194 50 0 BGAARO C(SC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000043495443 343475186 /nfs/dbraw/zinc/47/51/86/343475186.db2.gz MMZUDWGEEIZVQQ-LLVKDONJSA-N 1 0 213.390 3.194 50 0 BGAARO Clc1ccc(SC[C@@H]2CCC[NH2+]2)cc1 ZINC000043497060 180584843 /nfs/dbraw/zinc/58/48/43/180584843.db2.gz ZAPYRUXSMIJWDB-JTQLQIEISA-N 1 0 227.760 3.184 50 0 BGAARO Clc1ccc(SC[C@H]2CCC[NH2+]2)cc1 ZINC000043497063 180584914 /nfs/dbraw/zinc/58/49/14/180584914.db2.gz ZAPYRUXSMIJWDB-SNVBAGLBSA-N 1 0 227.760 3.184 50 0 BGAARO Clc1ccc(SCC2CC[NH2+]CC2)cc1 ZINC000043498057 343475936 /nfs/dbraw/zinc/47/59/36/343475936.db2.gz CWJXSCBUYDXKTD-UHFFFAOYSA-N 1 0 241.787 3.432 50 0 BGAARO Cc1ccc(SCC2CC[NH2+]CC2)cc1 ZINC000043498066 384279384 /nfs/dbraw/zinc/27/93/84/384279384.db2.gz TWUJZWZGPYWEQD-UHFFFAOYSA-N 1 0 221.369 3.087 50 0 BGAARO Fc1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043499349 343475891 /nfs/dbraw/zinc/47/58/91/343475891.db2.gz YFAAQUIKVDUQFV-LBPRGKRZSA-N 1 0 239.359 3.450 50 0 BGAARO Fc1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 ZINC000043499352 180982320 /nfs/dbraw/zinc/98/23/20/180982320.db2.gz YFAAQUIKVDUQFV-GFCCVEGCSA-N 1 0 239.359 3.450 50 0 BGAARO Cc1csc(SCC[C@@H]2CCCC[NH2+]2)n1 ZINC000043499418 343475945 /nfs/dbraw/zinc/47/59/45/343475945.db2.gz PSHLSCOGBQQEDJ-JTQLQIEISA-N 1 0 242.413 3.076 50 0 BGAARO Cc1csc(SCC[C@H]2CCCC[NH2+]2)n1 ZINC000043499421 343475773 /nfs/dbraw/zinc/47/57/73/343475773.db2.gz PSHLSCOGBQQEDJ-SNVBAGLBSA-N 1 0 242.413 3.076 50 0 BGAARO CC(C)(C)SCC[C@@H]1CCCC[NH2+]1 ZINC000043499493 343475888 /nfs/dbraw/zinc/47/58/88/343475888.db2.gz DCTGUUZXRJRXMY-JTQLQIEISA-N 1 0 201.379 3.050 50 0 BGAARO CC(C)(C)SCC[C@H]1CCCC[NH2+]1 ZINC000043499496 166689376 /nfs/dbraw/zinc/68/93/76/166689376.db2.gz DCTGUUZXRJRXMY-SNVBAGLBSA-N 1 0 201.379 3.050 50 0 BGAARO c1coc(CSCC[C@@H]2CCCC[NH2+]2)c1 ZINC000043499529 343475886 /nfs/dbraw/zinc/47/58/86/343475886.db2.gz FZTDXIHGFABSLN-NSHDSACASA-N 1 0 225.357 3.045 50 0 BGAARO c1coc(CSCC[C@H]2CCCC[NH2+]2)c1 ZINC000043499532 343475963 /nfs/dbraw/zinc/47/59/63/343475963.db2.gz FZTDXIHGFABSLN-LLVKDONJSA-N 1 0 225.357 3.045 50 0 BGAARO [NH3+]CC[C@H](Cc1ccccc1)c1ccccc1 ZINC000043559421 384194610 /nfs/dbraw/zinc/19/46/10/384194610.db2.gz XKCBWDLCZBXXSL-MRXNPFEDSA-N 1 0 225.335 3.362 50 0 BGAARO [NH3+]CC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000043559422 384192816 /nfs/dbraw/zinc/19/28/16/384192816.db2.gz XKCBWDLCZBXXSL-INIZCTEOSA-N 1 0 225.335 3.362 50 0 BGAARO Fc1ccc([C@@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000043566386 360004422 /nfs/dbraw/zinc/00/44/22/360004422.db2.gz RXMMUAVOOMQPCL-JTQLQIEISA-N 1 0 233.208 3.269 50 0 BGAARO Fc1ccc([C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000043566388 360003644 /nfs/dbraw/zinc/00/36/44/360003644.db2.gz RXMMUAVOOMQPCL-SNVBAGLBSA-N 1 0 233.208 3.269 50 0 BGAARO Fc1cc([C@@H]2CCC[NH2+]2)ccc1Br ZINC000043576262 343478000 /nfs/dbraw/zinc/47/80/00/343478000.db2.gz YYYARIDAUPMDGY-JTQLQIEISA-N 1 0 244.107 3.013 50 0 BGAARO Fc1cc([C@H]2CCC[NH2+]2)ccc1Br ZINC000043576264 180955507 /nfs/dbraw/zinc/95/55/07/180955507.db2.gz YYYARIDAUPMDGY-SNVBAGLBSA-N 1 0 244.107 3.013 50 0 BGAARO CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576927 169267248 /nfs/dbraw/zinc/26/72/48/169267248.db2.gz ZNNYWOUBUWHFIT-UHFFFAOYSA-N 1 0 246.123 3.088 50 0 BGAARO CC(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576929 167118892 /nfs/dbraw/zinc/11/88/92/167118892.db2.gz YZPDHTUVHWDYFS-UHFFFAOYSA-N 1 0 246.123 3.086 50 0 BGAARO c1c[nH]c(C2=C/C(=C3/C=CC=[NH+]3)CCC2)c1 ZINC000043756659 385184972 /nfs/dbraw/zinc/18/49/72/385184972.db2.gz ZBHKZHBJKDBTDK-OWBHPGMISA-N 1 0 210.280 3.477 50 0 BGAARO C[NH+](C)/C=C1/C=C2C[C@H]3C[C@@H](C2=C1)C3(C)C ZINC000043762759 387274333 /nfs/dbraw/zinc/27/43/33/387274333.db2.gz YDEBUWBDKKVEIK-OPLMWYLZSA-N 1 0 215.340 3.364 50 0 BGAARO C1CS[C@]2(CC[C@@H]3CCCC[C@@H]3C2)[NH2+]1 ZINC000043827765 188123081 /nfs/dbraw/zinc/12/30/81/188123081.db2.gz QGBHEKOPFUSDOP-TUAOUCFPSA-N 1 0 211.374 3.009 50 0 BGAARO C1CS[C@]2(CC[C@@H]3CCCC[C@H]3C2)[NH2+]1 ZINC000043827769 188296222 /nfs/dbraw/zinc/29/62/22/188296222.db2.gz QGBHEKOPFUSDOP-SRVKXCTJSA-N 1 0 211.374 3.009 50 0 BGAARO C1CS[C@@]2(CC[C@@H]3CCCC[C@@H]3C2)[NH2+]1 ZINC000043827772 188122909 /nfs/dbraw/zinc/12/29/09/188122909.db2.gz QGBHEKOPFUSDOP-QJPTWQEYSA-N 1 0 211.374 3.009 50 0 BGAARO C1CS[C@@]2(CC[C@@H]3CCCC[C@H]3C2)[NH2+]1 ZINC000043827774 384304136 /nfs/dbraw/zinc/30/41/36/384304136.db2.gz QGBHEKOPFUSDOP-SDDRHHMPSA-N 1 0 211.374 3.009 50 0 BGAARO c1ccc(C2CCC3(CC2)[NH2+]CCS3)cc1 ZINC000043827827 183390116 /nfs/dbraw/zinc/39/01/16/183390116.db2.gz OBOPAUUCFICHAZ-UHFFFAOYSA-N 1 0 233.380 3.377 50 0 BGAARO OCCCCCCCC[NH2+]Cc1ccccc1 ZINC000044069074 183043179 /nfs/dbraw/zinc/04/31/79/183043179.db2.gz IBPIDYZSOUSSOS-UHFFFAOYSA-N 1 0 235.371 3.109 50 0 BGAARO COCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089963 174282115 /nfs/dbraw/zinc/28/21/15/174282115.db2.gz UQRKCZCJZTVARW-NSHDSACASA-N 1 0 233.311 3.072 50 0 BGAARO COCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089964 174284008 /nfs/dbraw/zinc/28/40/08/174284008.db2.gz UQRKCZCJZTVARW-LLVKDONJSA-N 1 0 233.311 3.072 50 0 BGAARO C[C@@H]1CC=C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000044126047 343492676 /nfs/dbraw/zinc/49/26/76/343492676.db2.gz MIYBQYJPXKKNPL-QWHCGFSZSA-N 1 0 201.313 3.226 50 0 BGAARO C[C@H]1C=CC[C@H](C)[N@H+]1Cc1ccccc1 ZINC000044126051 384314540 /nfs/dbraw/zinc/31/45/40/384314540.db2.gz MIYBQYJPXKKNPL-STQMWFEESA-N 1 0 201.313 3.226 50 0 BGAARO C[C@@H]1C=CC[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000044126055 188123133 /nfs/dbraw/zinc/12/31/33/188123133.db2.gz MIYBQYJPXKKNPL-CHWSQXEVSA-N 1 0 201.313 3.226 50 0 BGAARO C[C@@H]1C=CC[C@H](C)[N@H+]1Cc1ccccc1 ZINC000044126060 177068620 /nfs/dbraw/zinc/06/86/20/177068620.db2.gz MIYBQYJPXKKNPL-OLZOCXBDSA-N 1 0 201.313 3.226 50 0 BGAARO C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000044126120 173006571 /nfs/dbraw/zinc/00/65/71/173006571.db2.gz PUPXFZBRONUIFP-CQSZACIVSA-N 1 0 214.312 3.325 50 0 BGAARO C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000044126123 173010467 /nfs/dbraw/zinc/01/04/67/173010467.db2.gz PUPXFZBRONUIFP-AWEZNQCLSA-N 1 0 214.312 3.325 50 0 BGAARO Cc1ccc(Oc2ccccc2CC[NH3+])cc1 ZINC000044397876 178821001 /nfs/dbraw/zinc/82/10/01/178821001.db2.gz KMWQENHLXLVNPL-UHFFFAOYSA-N 1 0 227.307 3.289 50 0 BGAARO [NH3+]CCc1ccc(Oc2ccccc2)c(F)c1 ZINC000044399254 181412280 /nfs/dbraw/zinc/41/22/80/181412280.db2.gz OLCFOYXWABUICK-UHFFFAOYSA-N 1 0 231.270 3.119 50 0 BGAARO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000044689145 386726703 /nfs/dbraw/zinc/72/67/03/386726703.db2.gz BRZNTINURMUPGN-OLZOCXBDSA-N 1 0 221.344 3.071 50 0 BGAARO CCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000044689146 386728071 /nfs/dbraw/zinc/72/80/71/386728071.db2.gz BRZNTINURMUPGN-STQMWFEESA-N 1 0 221.344 3.071 50 0 BGAARO CCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000044689149 386726744 /nfs/dbraw/zinc/72/67/44/386726744.db2.gz BRZNTINURMUPGN-CHWSQXEVSA-N 1 0 221.344 3.071 50 0 BGAARO CCOC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000044689152 386728812 /nfs/dbraw/zinc/72/88/12/386728812.db2.gz BRZNTINURMUPGN-QWHCGFSZSA-N 1 0 221.344 3.071 50 0 BGAARO CCC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000044786731 169504248 /nfs/dbraw/zinc/50/42/48/169504248.db2.gz ZYNAVLAJZAGVFQ-PRTVBDMESA-N 1 0 207.361 3.330 50 0 BGAARO CCC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000044786733 169393106 /nfs/dbraw/zinc/39/31/06/169393106.db2.gz ZYNAVLAJZAGVFQ-JEFIIJIESA-N 1 0 207.361 3.330 50 0 BGAARO [NH3+]C1(c2ccc(Cl)cc2Br)CC1 ZINC000044831791 181334023 /nfs/dbraw/zinc/33/40/23/181334023.db2.gz VMXWNLSSUMAVFQ-UHFFFAOYSA-N 1 0 246.535 3.050 50 0 BGAARO c1nc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cs1 ZINC000044889292 537897059 /nfs/dbraw/zinc/89/70/59/537897059.db2.gz WCILOTBEQWGHHL-YPMHNXCESA-N 1 0 236.384 3.298 50 0 BGAARO c1nc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cs1 ZINC000044889294 537896513 /nfs/dbraw/zinc/89/65/13/537896513.db2.gz WCILOTBEQWGHHL-AAEUAGOBSA-N 1 0 236.384 3.298 50 0 BGAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000045067775 172484285 /nfs/dbraw/zinc/48/42/85/172484285.db2.gz PCFONODKILRICO-ZFWWWQNUSA-N 1 0 233.355 3.186 50 0 BGAARO C[NH+](C)C[C@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000045067778 387274315 /nfs/dbraw/zinc/27/43/15/387274315.db2.gz PCFONODKILRICO-HIFRSBDPSA-N 1 0 233.355 3.186 50 0 BGAARO C[NH+](C)C[C@@H]1CCCC[C@H]1Oc1ccccc1 ZINC000045067781 172485132 /nfs/dbraw/zinc/48/51/32/172485132.db2.gz PCFONODKILRICO-DZGCQCFKSA-N 1 0 233.355 3.186 50 0 BGAARO C[NH+](C)C[C@H]1CCCC[C@H]1Oc1ccccc1 ZINC000045067783 387274125 /nfs/dbraw/zinc/27/41/25/387274125.db2.gz PCFONODKILRICO-UKRRQHHQSA-N 1 0 233.355 3.186 50 0 BGAARO [NH3+]CC1(c2ccc(Cl)s2)CCCC1 ZINC000045205687 181363126 /nfs/dbraw/zinc/36/31/26/181363126.db2.gz SDEPTTJHGCVMGQ-UHFFFAOYSA-N 1 0 215.749 3.172 50 0 BGAARO Cc1nc(-c2ccccc2)sc1C[NH2+]C1CC1 ZINC000045205693 398039160 /nfs/dbraw/zinc/03/91/60/398039160.db2.gz NNUBZCNPDCQYMU-UHFFFAOYSA-N 1 0 244.363 3.371 50 0 BGAARO [NH3+]CC1(c2nc3ccccc3s2)CCCC1 ZINC000045206481 181364198 /nfs/dbraw/zinc/36/41/98/181364198.db2.gz HAHKXWDPKKPHSC-UHFFFAOYSA-N 1 0 232.352 3.067 50 0 BGAARO CC[N@H+](Cc1nc(C2CC2)no1)C1CCCCC1 ZINC000045770601 411148672 /nfs/dbraw/zinc/14/86/72/411148672.db2.gz GXZVIIJFSVIBTO-UHFFFAOYSA-N 1 0 249.358 3.102 50 0 BGAARO CCCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045944977 384416139 /nfs/dbraw/zinc/41/61/39/384416139.db2.gz OHQQFEYBGXPIFB-UHFFFAOYSA-N 1 0 216.328 3.068 50 0 BGAARO Cn1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000045944980 180649116 /nfs/dbraw/zinc/64/91/16/180649116.db2.gz CJVBVDLOHHNRPJ-UHFFFAOYSA-N 1 0 228.339 3.211 50 0 BGAARO CCCCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045944998 343536114 /nfs/dbraw/zinc/53/61/14/343536114.db2.gz GVROSBLTJIYDFT-UHFFFAOYSA-N 1 0 230.355 3.458 50 0 BGAARO CC[C@@H](C)[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945006 343536149 /nfs/dbraw/zinc/53/61/49/343536149.db2.gz UNZUYLBSKRMFEQ-LLVKDONJSA-N 1 0 216.328 3.066 50 0 BGAARO CC[C@H](C)[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945009 171344531 /nfs/dbraw/zinc/34/45/31/171344531.db2.gz UNZUYLBSKRMFEQ-NSHDSACASA-N 1 0 216.328 3.066 50 0 BGAARO Cn1cc(C[NH2+]Cc2ccco2)c2ccccc21 ZINC000045945040 343536206 /nfs/dbraw/zinc/53/62/06/343536206.db2.gz SWIJKKTUKGUQHN-UHFFFAOYSA-N 1 0 240.306 3.061 50 0 BGAARO CC(C)CC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945063 166861549 /nfs/dbraw/zinc/86/15/49/166861549.db2.gz SKNQVVVXDFBQEU-UHFFFAOYSA-N 1 0 230.355 3.314 50 0 BGAARO CCC(C)(C)[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945066 168299732 /nfs/dbraw/zinc/29/97/32/168299732.db2.gz MLOOWCVITVLPGR-UHFFFAOYSA-N 1 0 230.355 3.457 50 0 BGAARO CC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945121 170129657 /nfs/dbraw/zinc/12/96/57/170129657.db2.gz UWHGZCAMQKSJKO-UHFFFAOYSA-N 1 0 216.328 3.332 50 0 BGAARO CC(C)n1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000045945142 167746460 /nfs/dbraw/zinc/74/64/60/167746460.db2.gz LIELQJZODUCJDX-UHFFFAOYSA-N 1 0 228.339 3.474 50 0 BGAARO CCCn1cc(C[NH2+]CC)c2ccccc21 ZINC000045945219 343536170 /nfs/dbraw/zinc/53/61/70/343536170.db2.gz AOQOCJXYYTURSI-UHFFFAOYSA-N 1 0 216.328 3.161 50 0 BGAARO CCCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000045945240 343536155 /nfs/dbraw/zinc/53/61/55/343536155.db2.gz BEJSHJVYCTVNMP-UHFFFAOYSA-N 1 0 228.339 3.303 50 0 BGAARO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccccc1 ZINC000047218958 384446581 /nfs/dbraw/zinc/44/65/81/384446581.db2.gz KWVMYMIPSINHKF-LBPRGKRZSA-N 1 0 249.354 3.069 50 0 BGAARO CC[N@H+](Cc1cc(C)no1)C1CCCCC1 ZINC000047825250 343566372 /nfs/dbraw/zinc/56/63/72/343566372.db2.gz KVIIVIGCCFPECR-UHFFFAOYSA-N 1 0 222.332 3.138 50 0 BGAARO C[NH2+]CCCCCc1cc(-c2ccccc2)no1 ZINC000047844132 173345423 /nfs/dbraw/zinc/34/54/23/173345423.db2.gz ATOIROAQNNKLGH-UHFFFAOYSA-N 1 0 244.338 3.274 50 0 BGAARO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)on1 ZINC000047960175 383882480 /nfs/dbraw/zinc/88/24/80/383882480.db2.gz QODFOAYRFYHHAO-CYBMUJFWSA-N 1 0 244.338 3.484 50 0 BGAARO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)on1 ZINC000047960176 383884000 /nfs/dbraw/zinc/88/40/00/383884000.db2.gz QODFOAYRFYHHAO-ZDUSSCGKSA-N 1 0 244.338 3.484 50 0 BGAARO CC[N@H+](Cc1c(C)noc1C)C1CCCC1 ZINC000047966765 383893005 /nfs/dbraw/zinc/89/30/05/383893005.db2.gz KRYHEVBJJNRYOS-UHFFFAOYSA-N 1 0 222.332 3.056 50 0 BGAARO CCN(Cc1cc(C)on1)Cc1cccc(C)c1 ZINC000048056185 411173114 /nfs/dbraw/zinc/17/31/14/411173114.db2.gz MNLKSWNOYALLFD-UHFFFAOYSA-N 1 0 244.338 3.314 50 0 BGAARO CCN(Cc1cc(C)on1)Cc1ccccc1C ZINC000048059088 342794075 /nfs/dbraw/zinc/79/40/75/342794075.db2.gz ILOKOZCLACBSSL-UHFFFAOYSA-N 1 0 244.338 3.314 50 0 BGAARO Cc1cccc(C[NH2+]CCC(C)C)c1C ZINC000048219037 179089776 /nfs/dbraw/zinc/08/97/76/179089776.db2.gz GDOHHNLYPFBLEO-UHFFFAOYSA-N 1 0 205.345 3.439 50 0 BGAARO Cc1cccc(C[NH2+][C@@H](C)C(C)C)c1C ZINC000048242012 179095783 /nfs/dbraw/zinc/09/57/83/179095783.db2.gz HDEWKMLBAGCIFT-ZDUSSCGKSA-N 1 0 205.345 3.438 50 0 BGAARO Cc1cccc(C[NH2+][C@H](C)C(C)C)c1C ZINC000048242014 179100185 /nfs/dbraw/zinc/10/01/85/179100185.db2.gz HDEWKMLBAGCIFT-CYBMUJFWSA-N 1 0 205.345 3.438 50 0 BGAARO Cc1ccccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000048345363 179277152 /nfs/dbraw/zinc/27/71/52/179277152.db2.gz DLQYJSUPVMTAAX-AWEZNQCLSA-N 1 0 240.350 3.373 50 0 BGAARO Cc1ccccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000048345365 179275986 /nfs/dbraw/zinc/27/59/86/179275986.db2.gz DLQYJSUPVMTAAX-CQSZACIVSA-N 1 0 240.350 3.373 50 0 BGAARO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1 ZINC000048345367 343249612 /nfs/dbraw/zinc/24/96/12/343249612.db2.gz YELBUOXDWJUGEF-CYBMUJFWSA-N 1 0 226.323 3.065 50 0 BGAARO C[C@H]1c2cccn2CC[N@H+]1Cc1ccccc1 ZINC000048345369 385211212 /nfs/dbraw/zinc/21/12/12/385211212.db2.gz YELBUOXDWJUGEF-ZDUSSCGKSA-N 1 0 226.323 3.065 50 0 BGAARO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000048355907 343250486 /nfs/dbraw/zinc/25/04/86/343250486.db2.gz JWDCGPXLTUDDMP-AWEZNQCLSA-N 1 0 240.350 3.373 50 0 BGAARO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000048355908 343250731 /nfs/dbraw/zinc/25/07/31/343250731.db2.gz JWDCGPXLTUDDMP-CQSZACIVSA-N 1 0 240.350 3.373 50 0 BGAARO COc1ccc(C[N@H+](C)CC=C(C)C)cc1F ZINC000048368192 343252976 /nfs/dbraw/zinc/25/29/76/343252976.db2.gz QLZNYHCZBMNKSU-UHFFFAOYSA-N 1 0 237.318 3.232 50 0 BGAARO COc1ccc(C[N@H+](C)CC=C(C)C)cc1 ZINC000048374146 343579100 /nfs/dbraw/zinc/57/91/00/343579100.db2.gz FXUGYLRVUJKCNO-UHFFFAOYSA-N 1 0 219.328 3.093 50 0 BGAARO CC[NH+](CC)Cc1cc(-c2cccs2)on1 ZINC000048374199 343254215 /nfs/dbraw/zinc/25/42/15/343254215.db2.gz YELYUNFFVLMWBV-UHFFFAOYSA-N 1 0 236.340 3.245 50 0 BGAARO CC(C)(C)c1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000048895419 343589332 /nfs/dbraw/zinc/58/93/32/343589332.db2.gz IAJQIXJEUNPMHG-CQSZACIVSA-N 1 0 247.382 3.110 50 0 BGAARO CC(C)(C)c1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000048895420 187269795 /nfs/dbraw/zinc/26/97/95/187269795.db2.gz IAJQIXJEUNPMHG-AWEZNQCLSA-N 1 0 247.382 3.110 50 0 BGAARO CC[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577383 343603314 /nfs/dbraw/zinc/60/33/14/343603314.db2.gz YZGUJDPEEYNVGA-SECBINFHSA-N 1 0 213.271 3.101 50 0 BGAARO CC[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577384 171286259 /nfs/dbraw/zinc/28/62/59/171286259.db2.gz YZGUJDPEEYNVGA-VIFPVBQESA-N 1 0 213.271 3.101 50 0 BGAARO c1sc2ccccc2c1C[NH2+]C[C@@H]1CCOC1 ZINC000049593494 386809516 /nfs/dbraw/zinc/80/95/16/386809516.db2.gz RNVLFHZYSYTZBQ-NSHDSACASA-N 1 0 247.363 3.027 50 0 BGAARO c1sc2ccccc2c1C[NH2+]C[C@H]1CCOC1 ZINC000049593495 183439302 /nfs/dbraw/zinc/43/93/02/183439302.db2.gz RNVLFHZYSYTZBQ-LLVKDONJSA-N 1 0 247.363 3.027 50 0 BGAARO O=C(C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000049822132 384572611 /nfs/dbraw/zinc/57/26/11/384572611.db2.gz ROPDWTSPGSEWEF-UHFFFAOYSA-N 1 0 231.339 3.182 50 0 BGAARO Cc1cc(C[NH2+]C2CCCC2)ccc1F ZINC000049943408 178018543 /nfs/dbraw/zinc/01/85/43/178018543.db2.gz CUDASFHRTHZXHH-UHFFFAOYSA-N 1 0 207.292 3.166 50 0 BGAARO Cc1cc(C[NH2+]CCC(C)C)ccc1F ZINC000049943426 178020757 /nfs/dbraw/zinc/02/07/57/178020757.db2.gz FXDNSCCDUSFVBD-UHFFFAOYSA-N 1 0 209.308 3.270 50 0 BGAARO C[C@H]([NH3+])c1cc(Cl)ccc1OCC1CC1 ZINC000050209260 384608753 /nfs/dbraw/zinc/60/87/53/384608753.db2.gz RINJKFCZGGZKIF-QMMMGPOBSA-N 1 0 225.719 3.149 50 0 BGAARO C[C@@H]([NH3+])c1cc(Cl)ccc1OCC1CC1 ZINC000050209261 384609098 /nfs/dbraw/zinc/60/90/98/384609098.db2.gz RINJKFCZGGZKIF-MRVPVSSYSA-N 1 0 225.719 3.149 50 0 BGAARO [NH3+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000050329818 384618278 /nfs/dbraw/zinc/61/82/78/384618278.db2.gz LJZJZYQBHPXJMH-SNVBAGLBSA-N 1 0 248.326 3.285 50 0 BGAARO [NH3+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000050329819 384617488 /nfs/dbraw/zinc/61/74/88/384617488.db2.gz LJZJZYQBHPXJMH-JTQLQIEISA-N 1 0 248.326 3.285 50 0 BGAARO C[NH2+]Cc1cc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000050478967 641157658 /nfs/dbraw/zinc/15/76/58/641157658.db2.gz YXWPPODVSJDZQX-UHFFFAOYSA-N 1 0 243.354 3.094 50 0 BGAARO CC[NH2+]Cc1cc(-c2ccc(C(C)C)cc2)n[nH]1 ZINC000050479062 170124332 /nfs/dbraw/zinc/12/43/32/170124332.db2.gz DPYIIEXAJOTTQN-UHFFFAOYSA-N 1 0 243.354 3.310 50 0 BGAARO CC(C)[NH2+]Cc1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000050479165 641156289 /nfs/dbraw/zinc/15/62/89/641156289.db2.gz YMJOBAIHJHNVCG-UHFFFAOYSA-N 1 0 249.745 3.228 50 0 BGAARO CC(C)[NH2+]Cc1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000050479190 641156762 /nfs/dbraw/zinc/15/67/62/641156762.db2.gz NDMCPYYUJCUCCF-UHFFFAOYSA-N 1 0 249.745 3.228 50 0 BGAARO Cc1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)cc1C ZINC000050479192 641156115 /nfs/dbraw/zinc/15/61/15/641156115.db2.gz SSSGOVVLVCOBIW-UHFFFAOYSA-N 1 0 243.354 3.192 50 0 BGAARO CCc1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)cc1 ZINC000050479207 641156855 /nfs/dbraw/zinc/15/68/55/641156855.db2.gz HJDPUUUCFWXRHF-UHFFFAOYSA-N 1 0 243.354 3.137 50 0 BGAARO Brc1csc(C[NH+]2CCCC2)c1 ZINC000050499404 166106908 /nfs/dbraw/zinc/10/69/08/166106908.db2.gz IJFJBMSABCRTQS-UHFFFAOYSA-N 1 0 246.173 3.106 50 0 BGAARO c1ccc2c(c1)cccc2[C@@H]1[NH2+]CCS1 ZINC000050522767 384217810 /nfs/dbraw/zinc/21/78/10/384217810.db2.gz MXIIXVXCYLETMS-CYBMUJFWSA-N 1 0 215.321 3.175 50 0 BGAARO c1ccc2c(c1)cccc2[C@H]1[NH2+]CCS1 ZINC000050522769 384216821 /nfs/dbraw/zinc/21/68/21/384216821.db2.gz MXIIXVXCYLETMS-ZDUSSCGKSA-N 1 0 215.321 3.175 50 0 BGAARO CCC(C)(C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050544478 168299067 /nfs/dbraw/zinc/29/90/67/168299067.db2.gz LGAPVABBVVPHOD-UHFFFAOYSA-N 1 0 209.308 3.412 50 0 BGAARO CCC(CC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050544481 168389295 /nfs/dbraw/zinc/38/92/95/168389295.db2.gz GEKXPKICVYCOCL-UHFFFAOYSA-N 1 0 209.308 3.412 50 0 BGAARO CCCCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000050544507 384633113 /nfs/dbraw/zinc/63/31/13/384633113.db2.gz CYPNIFSOACSPEX-UHFFFAOYSA-N 1 0 209.308 3.414 50 0 BGAARO Cc1cc(C[NH2+][C@@H](C)C(C)C)ccc1F ZINC000050544900 178028991 /nfs/dbraw/zinc/02/89/91/178028991.db2.gz LIONOXGKVOSEQJ-NSHDSACASA-N 1 0 209.308 3.268 50 0 BGAARO Cc1cc(C[NH2+][C@H](C)C(C)C)ccc1F ZINC000050544901 178037538 /nfs/dbraw/zinc/03/75/38/178037538.db2.gz LIONOXGKVOSEQJ-LLVKDONJSA-N 1 0 209.308 3.268 50 0 BGAARO Cc1cc(F)ccc1C[NH2+]C1CCCC1 ZINC000050569010 178085957 /nfs/dbraw/zinc/08/59/57/178085957.db2.gz QBVVIEIMSPZIIA-UHFFFAOYSA-N 1 0 207.292 3.166 50 0 BGAARO CCC(CC)[NH2+]Cc1ccc(F)cc1C ZINC000050569011 168389293 /nfs/dbraw/zinc/38/92/93/168389293.db2.gz AXINWLQWMKDSQG-UHFFFAOYSA-N 1 0 209.308 3.412 50 0 BGAARO CCCCC[NH2+]Cc1ccc(F)cc1C ZINC000050569023 384634190 /nfs/dbraw/zinc/63/41/90/384634190.db2.gz WPNIBPKOWUFLOA-UHFFFAOYSA-N 1 0 209.308 3.414 50 0 BGAARO Cc1cc(F)ccc1C[NH2+]CCC(C)C ZINC000050569056 178085122 /nfs/dbraw/zinc/08/51/22/178085122.db2.gz ROUJGOZAZQFOBN-UHFFFAOYSA-N 1 0 209.308 3.270 50 0 BGAARO Cc1cc(F)ccc1C[NH2+][C@@H](C)C(C)C ZINC000050569277 178087160 /nfs/dbraw/zinc/08/71/60/178087160.db2.gz MZCTUQAZJNOJDT-NSHDSACASA-N 1 0 209.308 3.268 50 0 BGAARO Cc1cc(F)ccc1C[NH2+][C@H](C)C(C)C ZINC000050569278 178087675 /nfs/dbraw/zinc/08/76/75/178087675.db2.gz MZCTUQAZJNOJDT-LLVKDONJSA-N 1 0 209.308 3.268 50 0 BGAARO CCCC1CC[NH+]([C@@H]2CCCCC2=O)CC1 ZINC000050894252 384649476 /nfs/dbraw/zinc/64/94/76/384649476.db2.gz HGIOSQOQJULIAH-CYBMUJFWSA-N 1 0 223.360 3.010 50 0 BGAARO CCCC1CC[NH+]([C@H]2CCCCC2=O)CC1 ZINC000050894254 384649881 /nfs/dbraw/zinc/64/98/81/384649881.db2.gz HGIOSQOQJULIAH-ZDUSSCGKSA-N 1 0 223.360 3.010 50 0 BGAARO CC[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC000051016689 384654099 /nfs/dbraw/zinc/65/40/99/384654099.db2.gz COICWFFWAZXGKP-SECBINFHSA-N 1 0 213.271 3.101 50 0 BGAARO CC[C@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC000051016691 171285600 /nfs/dbraw/zinc/28/56/00/171285600.db2.gz COICWFFWAZXGKP-VIFPVBQESA-N 1 0 213.271 3.101 50 0 BGAARO c1ccc([C@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000051099975 384659805 /nfs/dbraw/zinc/65/98/05/384659805.db2.gz GFWBIIJDRUSRLS-HOTGVXAUSA-N 1 0 245.366 3.296 50 0 BGAARO c1ccc([C@@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000051099976 384658040 /nfs/dbraw/zinc/65/80/40/384658040.db2.gz GFWBIIJDRUSRLS-JKSUJKDBSA-N 1 0 245.366 3.296 50 0 BGAARO c1ccc([C@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000051099978 384659907 /nfs/dbraw/zinc/65/99/07/384659907.db2.gz GFWBIIJDRUSRLS-CVEARBPZSA-N 1 0 245.366 3.296 50 0 BGAARO c1ccc([C@@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000051099980 384658645 /nfs/dbraw/zinc/65/86/45/384658645.db2.gz GFWBIIJDRUSRLS-HZPDHXFCSA-N 1 0 245.366 3.296 50 0 BGAARO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000051532854 349875351 /nfs/dbraw/zinc/87/53/51/349875351.db2.gz ZACRMWBJPWJUTC-WDEREUQCSA-N 1 0 249.358 3.130 50 0 BGAARO CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000051532855 411303225 /nfs/dbraw/zinc/30/32/25/411303225.db2.gz ZACRMWBJPWJUTC-QWRGUYRKSA-N 1 0 249.358 3.130 50 0 BGAARO Cc1ccc(C[NH3+])c(OC2CCCCC2)c1 ZINC000051580313 178562040 /nfs/dbraw/zinc/56/20/40/178562040.db2.gz QNIMHIQMTXEXRE-UHFFFAOYSA-N 1 0 219.328 3.165 50 0 BGAARO Cc1ccc(C[NH3+])c(OCc2ccccc2)c1 ZINC000051580326 384671537 /nfs/dbraw/zinc/67/15/37/384671537.db2.gz UFQHYPHSADNCQN-UHFFFAOYSA-N 1 0 227.307 3.033 50 0 BGAARO Cc1ccc(C[NH3+])c(Oc2ccccc2)c1 ZINC000051580524 178562550 /nfs/dbraw/zinc/56/25/50/178562550.db2.gz PTSAHOPIFMDHIX-UHFFFAOYSA-N 1 0 213.280 3.246 50 0 BGAARO Cc1ccc(C[NH3+])c(O[C@@H](C)CC(C)C)c1 ZINC000051580731 384670730 /nfs/dbraw/zinc/67/07/30/384670730.db2.gz QIVGGTZUHXVDAD-LBPRGKRZSA-N 1 0 221.344 3.267 50 0 BGAARO Cc1ccc(C[NH3+])c(O[C@H](C)CC(C)C)c1 ZINC000051580733 178562402 /nfs/dbraw/zinc/56/24/02/178562402.db2.gz QIVGGTZUHXVDAD-GFCCVEGCSA-N 1 0 221.344 3.267 50 0 BGAARO Cc1ccc(C[NH3+])c(OCCCC(C)C)c1 ZINC000051580863 384671042 /nfs/dbraw/zinc/67/10/42/384671042.db2.gz YPGANNUPNCUEJG-UHFFFAOYSA-N 1 0 221.344 3.269 50 0 BGAARO CCC(C)(C)Oc1cc(C)ccc1C[NH3+] ZINC000051580870 168304300 /nfs/dbraw/zinc/30/43/00/168304300.db2.gz CYERVTHTFPWIMB-UHFFFAOYSA-N 1 0 207.317 3.021 50 0 BGAARO CCCCCCOc1cc(C)ccc1C[NH3+] ZINC000051580877 384670396 /nfs/dbraw/zinc/67/03/96/384670396.db2.gz MEHXJAQIRHGYIS-UHFFFAOYSA-N 1 0 221.344 3.413 50 0 BGAARO CCCCCOc1cc(C)ccc1C[NH3+] ZINC000051581060 384672539 /nfs/dbraw/zinc/67/25/39/384672539.db2.gz GTUWGUTWNGVAJN-UHFFFAOYSA-N 1 0 207.317 3.023 50 0 BGAARO Cc1cccc(CC[NH2+]Cc2ccccc2)c1 ZINC000051668932 322851519 /nfs/dbraw/zinc/85/15/19/322851519.db2.gz RHROCJATQZLKRJ-UHFFFAOYSA-N 1 0 225.335 3.327 50 0 BGAARO CC1(C)[NH2+]CC[C@H]1c1ccc(Cl)cc1 ZINC000051957206 187436673 /nfs/dbraw/zinc/43/66/73/187436673.db2.gz ZZJOWXUZADYZRX-NSHDSACASA-N 1 0 209.720 3.196 50 0 BGAARO CC1(C)[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000051957208 537910456 /nfs/dbraw/zinc/91/04/56/537910456.db2.gz ZZJOWXUZADYZRX-LLVKDONJSA-N 1 0 209.720 3.196 50 0 BGAARO CC1(C)[NH2+]CC[C@H]1c1ccccc1Cl ZINC000051957233 187270896 /nfs/dbraw/zinc/27/08/96/187270896.db2.gz WWFJBGLZDJTNRG-JTQLQIEISA-N 1 0 209.720 3.196 50 0 BGAARO CC1(C)[NH2+]CC[C@@H]1c1ccccc1Cl ZINC000051957235 350806744 /nfs/dbraw/zinc/80/67/44/350806744.db2.gz WWFJBGLZDJTNRG-SNVBAGLBSA-N 1 0 209.720 3.196 50 0 BGAARO CC1(C)[NH2+]CC[C@H]1c1cccc(Cl)c1 ZINC000051957283 384703864 /nfs/dbraw/zinc/70/38/64/384703864.db2.gz BZEIEZYYRWYWCD-NSHDSACASA-N 1 0 209.720 3.196 50 0 BGAARO CC1(C)[NH2+]CC[C@@H]1c1cccc(Cl)c1 ZINC000051957284 384705365 /nfs/dbraw/zinc/70/53/65/384705365.db2.gz BZEIEZYYRWYWCD-LLVKDONJSA-N 1 0 209.720 3.196 50 0 BGAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000052007976 178241163 /nfs/dbraw/zinc/24/11/63/178241163.db2.gz DNRJSGLWVQUNSK-AWEZNQCLSA-N 1 0 242.322 3.320 50 0 BGAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000052007979 178266506 /nfs/dbraw/zinc/26/65/06/178266506.db2.gz DNRJSGLWVQUNSK-CQSZACIVSA-N 1 0 242.322 3.320 50 0 BGAARO CCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052035454 169198083 /nfs/dbraw/zinc/19/80/83/169198083.db2.gz JFUJKJLLFQZHGM-CQSZACIVSA-N 1 0 221.319 3.243 50 0 BGAARO CCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052035456 169199671 /nfs/dbraw/zinc/19/96/71/169199671.db2.gz JFUJKJLLFQZHGM-AWEZNQCLSA-N 1 0 221.319 3.243 50 0 BGAARO Cc1ccc(CNC(=[NH2+])Nc2ccccc2)s1 ZINC000052047469 178590338 /nfs/dbraw/zinc/59/03/38/178590338.db2.gz WXVRPWXMKYRFQG-UHFFFAOYSA-N 1 0 245.351 3.193 50 0 BGAARO C[C@H]1[NH2+]CCc2c(Cl)cc(Cl)cc21 ZINC000052095377 187271530 /nfs/dbraw/zinc/27/15/30/187271530.db2.gz NOYDMPDGKHYTRM-ZCFIWIBFSA-N 1 0 216.111 3.200 50 0 BGAARO C[C@@H]1[NH2+]CCc2c(Cl)cc(Cl)cc21 ZINC000052095378 384717927 /nfs/dbraw/zinc/71/79/27/384717927.db2.gz NOYDMPDGKHYTRM-LURJTMIESA-N 1 0 216.111 3.200 50 0 BGAARO C[C@H]1[NH2+]CCc2cc(Cl)cc(Cl)c21 ZINC000052095401 384718539 /nfs/dbraw/zinc/71/85/39/384718539.db2.gz OWBHUFMBYQFPDF-ZCFIWIBFSA-N 1 0 216.111 3.200 50 0 BGAARO C[C@@H]1[NH2+]CCc2cc(Cl)cc(Cl)c21 ZINC000052095402 384718592 /nfs/dbraw/zinc/71/85/92/384718592.db2.gz OWBHUFMBYQFPDF-LURJTMIESA-N 1 0 216.111 3.200 50 0 BGAARO Cc1ncc(C[N@@H+](C)Cc2ccccc2)s1 ZINC000052100881 180139200 /nfs/dbraw/zinc/13/92/00/180139200.db2.gz FPVKMJBCAQROSL-UHFFFAOYSA-N 1 0 232.352 3.084 50 0 BGAARO Cc1ncc(C[N@@H+](C)Cc2cccc(C)c2)s1 ZINC000052101000 179069459 /nfs/dbraw/zinc/06/94/59/179069459.db2.gz OIOHZWQDAUNENI-UHFFFAOYSA-N 1 0 246.379 3.392 50 0 BGAARO CC(C)(C)c1csc([C@@H]2CCCC[NH2+]2)n1 ZINC000052125996 384717359 /nfs/dbraw/zinc/71/73/59/384717359.db2.gz MXAODEWKXSBZPG-VIFPVBQESA-N 1 0 224.373 3.255 50 0 BGAARO CC(C)(C)c1csc([C@H]2CCCC[NH2+]2)n1 ZINC000052125997 187271645 /nfs/dbraw/zinc/27/16/45/187271645.db2.gz MXAODEWKXSBZPG-SECBINFHSA-N 1 0 224.373 3.255 50 0 BGAARO COc1ccc(C[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000052133441 175117652 /nfs/dbraw/zinc/11/76/52/175117652.db2.gz DOBGROKNFRNYCA-OAHLLOKOSA-N 1 0 247.382 3.358 50 0 BGAARO COc1ccc(C[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000052133442 187271394 /nfs/dbraw/zinc/27/13/94/187271394.db2.gz DOBGROKNFRNYCA-HNNXBMFYSA-N 1 0 247.382 3.358 50 0 BGAARO CCC[N@@H+]1CCC[C@@H]1Cc1ccc(OC)cc1 ZINC000052133500 169198048 /nfs/dbraw/zinc/19/80/48/169198048.db2.gz JSPMREYJZAUDAG-CQSZACIVSA-N 1 0 233.355 3.112 50 0 BGAARO CCC[N@@H+]1CCC[C@H]1Cc1ccc(OC)cc1 ZINC000052133501 169199940 /nfs/dbraw/zinc/19/99/40/169199940.db2.gz JSPMREYJZAUDAG-AWEZNQCLSA-N 1 0 233.355 3.112 50 0 BGAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052273683 175093707 /nfs/dbraw/zinc/09/37/07/175093707.db2.gz QUKLVQAZQFHDBJ-XUJVJEKNSA-N 1 0 233.355 3.014 50 0 BGAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052273686 175093416 /nfs/dbraw/zinc/09/34/16/175093416.db2.gz QUKLVQAZQFHDBJ-HUBLWGQQSA-N 1 0 233.355 3.014 50 0 BGAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052273687 175093383 /nfs/dbraw/zinc/09/33/83/175093383.db2.gz QUKLVQAZQFHDBJ-TYNCELHUSA-N 1 0 233.355 3.014 50 0 BGAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052273689 175093740 /nfs/dbraw/zinc/09/37/40/175093740.db2.gz QUKLVQAZQFHDBJ-SLEUVZQESA-N 1 0 233.355 3.014 50 0 BGAARO CC[C@@H](C[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000052702393 384742847 /nfs/dbraw/zinc/74/28/47/384742847.db2.gz COARTXZNHUMTTK-QMMMGPOBSA-N 1 0 248.153 3.370 50 0 BGAARO CC[C@H](C[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000052702396 171437404 /nfs/dbraw/zinc/43/74/04/171437404.db2.gz COARTXZNHUMTTK-MRVPVSSYSA-N 1 0 248.153 3.370 50 0 BGAARO CC[N@H+](Cc1cc(C)on1)C1CCCCC1 ZINC000052873838 358233920 /nfs/dbraw/zinc/23/39/20/358233920.db2.gz YQFBHNFBVQJSJS-UHFFFAOYSA-N 1 0 222.332 3.138 50 0 BGAARO CC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000053147951 384765573 /nfs/dbraw/zinc/76/55/73/384765573.db2.gz IZADXFKHAFAHLS-SNVBAGLBSA-N 1 0 211.736 3.476 50 0 BGAARO CC[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000053147954 171286161 /nfs/dbraw/zinc/28/61/61/171286161.db2.gz IZADXFKHAFAHLS-JTQLQIEISA-N 1 0 211.736 3.476 50 0 BGAARO Cc1nn(CCC[NH2+]C2CCCCC2)c(C)c1C ZINC000053540454 488107475 /nfs/dbraw/zinc/10/74/75/488107475.db2.gz QIZGHLJPQVKXQD-UHFFFAOYSA-N 1 0 249.402 3.121 50 0 BGAARO CCc1ccccc1OCC[NH2+]Cc1ccoc1 ZINC000053587658 384797103 /nfs/dbraw/zinc/79/71/03/384797103.db2.gz JVPHONYJQPBARB-UHFFFAOYSA-N 1 0 245.322 3.011 50 0 BGAARO CC(C)([NH3+])Cc1ccc(Cl)cc1Cl ZINC000053757950 384806641 /nfs/dbraw/zinc/80/66/41/384806641.db2.gz LOHIBOMELYSICD-UHFFFAOYSA-N 1 0 218.127 3.273 50 0 BGAARO C[C@H]([NH2+]Cc1ccccc1)C1CCCC1 ZINC000054077271 388022637 /nfs/dbraw/zinc/02/26/37/388022637.db2.gz CTYRWIHTIVFVNQ-LBPRGKRZSA-N 1 0 203.329 3.355 50 0 BGAARO c1[nH+]c(C2CCCCC2)n2ccccc12 ZINC000054123045 384822654 /nfs/dbraw/zinc/82/26/54/384822654.db2.gz YLAQZSRMMKGOLV-UHFFFAOYSA-N 1 0 200.285 3.382 50 0 BGAARO CC(C)[N@H+](C)CCNc1nc2ccccc2s1 ZINC000054128411 387371556 /nfs/dbraw/zinc/37/15/56/387371556.db2.gz HWNWKMYRPYSIDM-UHFFFAOYSA-N 1 0 249.383 3.048 50 0 BGAARO [NH3+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054586880 181438277 /nfs/dbraw/zinc/43/82/77/181438277.db2.gz QQFQGKPYXWBPBJ-IMTBSYHQSA-N 1 0 216.111 3.056 50 0 BGAARO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1cccs1 ZINC000054597991 167006718 /nfs/dbraw/zinc/00/67/18/167006718.db2.gz VKSNZDWJZWNOGQ-WCQYABFASA-N 1 0 223.385 3.271 50 0 BGAARO CC(C)C[NH2+]C[C@H]1C[C@@]1(C)c1cccs1 ZINC000054597992 167008863 /nfs/dbraw/zinc/00/88/63/167008863.db2.gz VKSNZDWJZWNOGQ-DGCLKSJQSA-N 1 0 223.385 3.271 50 0 BGAARO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)c1cccs1 ZINC000054597993 167006423 /nfs/dbraw/zinc/00/64/23/167006423.db2.gz VKSNZDWJZWNOGQ-AAEUAGOBSA-N 1 0 223.385 3.271 50 0 BGAARO CC(C)C[NH2+]C[C@H]1C[C@]1(C)c1cccs1 ZINC000054597994 167007808 /nfs/dbraw/zinc/00/78/08/167007808.db2.gz VKSNZDWJZWNOGQ-YPMHNXCESA-N 1 0 223.385 3.271 50 0 BGAARO CC(C)(C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000054634550 384847073 /nfs/dbraw/zinc/84/70/73/384847073.db2.gz QVKKYMFKHJOGPP-UHFFFAOYSA-N 1 0 231.261 3.233 50 0 BGAARO COc1ccc2c(c1)C[NH2+][C@H](c1ccccc1)C2 ZINC000054684727 175211244 /nfs/dbraw/zinc/21/12/44/175211244.db2.gz ZHQIEEGNMZZUJM-INIZCTEOSA-N 1 0 239.318 3.082 50 0 BGAARO COc1ccc2c(c1)C[NH2+][C@@H](c1ccccc1)C2 ZINC000054684729 175211053 /nfs/dbraw/zinc/21/10/53/175211053.db2.gz ZHQIEEGNMZZUJM-MRXNPFEDSA-N 1 0 239.318 3.082 50 0 BGAARO C[C@@](O)(C[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000055063229 349084820 /nfs/dbraw/zinc/08/48/20/349084820.db2.gz PUXIOFWEEXXYQV-MRXNPFEDSA-N 1 0 247.382 3.108 50 0 BGAARO C[C@](O)(C[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000055063230 349084860 /nfs/dbraw/zinc/08/48/60/349084860.db2.gz PUXIOFWEEXXYQV-INIZCTEOSA-N 1 0 247.382 3.108 50 0 BGAARO [NH3+]C1CCC(Sc2ccccc2)CC1 ZINC000055143695 181342352 /nfs/dbraw/zinc/34/23/52/181342352.db2.gz RNEBUUNGPMYTIO-UHFFFAOYSA-N 1 0 207.342 3.049 50 0 BGAARO Cc1ccc(SC2CCC([NH3+])CC2)cc1 ZINC000055143700 384874770 /nfs/dbraw/zinc/87/47/70/384874770.db2.gz LLXWUKWZOTXQGT-UHFFFAOYSA-N 1 0 221.369 3.357 50 0 BGAARO [NH3+]C1CCC(Sc2ccc(F)cc2)CC1 ZINC000055143714 181342415 /nfs/dbraw/zinc/34/24/15/181342415.db2.gz QNAKVUBYFMJENR-UHFFFAOYSA-N 1 0 225.332 3.188 50 0 BGAARO COc1ccc(SC2CCC([NH3+])CC2)cc1 ZINC000055143715 191000190 /nfs/dbraw/zinc/00/01/90/191000190.db2.gz SPDJUCUCDXARBZ-UHFFFAOYSA-N 1 0 237.368 3.057 50 0 BGAARO COc1ccccc1SC1CCC([NH3+])CC1 ZINC000055143820 175343514 /nfs/dbraw/zinc/34/35/14/175343514.db2.gz GXATVVIDHLDPTO-UHFFFAOYSA-N 1 0 237.368 3.057 50 0 BGAARO [NH3+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231105 384875943 /nfs/dbraw/zinc/87/59/43/384875943.db2.gz FSQWLYWMJYMTHJ-QWRGUYRKSA-N 1 0 229.245 3.300 50 0 BGAARO [NH3+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055231106 384878152 /nfs/dbraw/zinc/87/81/52/384878152.db2.gz FSQWLYWMJYMTHJ-MNOVXSKESA-N 1 0 229.245 3.300 50 0 BGAARO [NH3+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231107 384877387 /nfs/dbraw/zinc/87/73/87/384877387.db2.gz FSQWLYWMJYMTHJ-WDEREUQCSA-N 1 0 229.245 3.300 50 0 BGAARO [NH3+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055231108 384875472 /nfs/dbraw/zinc/87/54/72/384875472.db2.gz FSQWLYWMJYMTHJ-GHMZBOCLSA-N 1 0 229.245 3.300 50 0 BGAARO [NH3+]C1(c2ccc(F)cc2F)CCCCC1 ZINC000055238302 181333643 /nfs/dbraw/zinc/33/36/43/181333643.db2.gz BJEGUZPSPLJRED-UHFFFAOYSA-N 1 0 211.255 3.083 50 0 BGAARO CCOc1ccccc1[C@H]([NH3+])CC(C)C ZINC000055240435 384875723 /nfs/dbraw/zinc/87/57/23/384875723.db2.gz PHCOZZLHICGGIU-GFCCVEGCSA-N 1 0 207.317 3.131 50 0 BGAARO CCOc1ccccc1[C@@H]([NH3+])CC(C)C ZINC000055240438 170598393 /nfs/dbraw/zinc/59/83/93/170598393.db2.gz PHCOZZLHICGGIU-LBPRGKRZSA-N 1 0 207.317 3.131 50 0 BGAARO CC(C)[C@H](C)N(Cc1c[nH]cn1)Cc1ccco1 ZINC000055245377 191000146 /nfs/dbraw/zinc/00/01/46/191000146.db2.gz MEGNGGJBCRQLLD-LBPRGKRZSA-N 1 0 247.342 3.049 50 0 BGAARO C/C=C(\C)C[N@H+](Cc1cnn(CC)c1)CC(C)C ZINC000055413337 384882933 /nfs/dbraw/zinc/88/29/33/384882933.db2.gz NAYZUPPMONTKID-MKMNVTDBSA-N 1 0 249.402 3.327 50 0 BGAARO CCOP(=O)(C[NH+]1CCCCCC1)OCC ZINC000055433294 640742374 /nfs/dbraw/zinc/74/23/74/640742374.db2.gz OLCMCXRLBHOMAX-UHFFFAOYSA-N 1 0 249.291 3.086 50 0 BGAARO CCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908295 169198192 /nfs/dbraw/zinc/19/81/92/169198192.db2.gz DNQFDRSMRMILMU-CQSZACIVSA-N 1 0 221.319 3.243 50 0 BGAARO CCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908296 169200632 /nfs/dbraw/zinc/20/06/32/169200632.db2.gz DNQFDRSMRMILMU-AWEZNQCLSA-N 1 0 221.319 3.243 50 0 BGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000055928006 388345213 /nfs/dbraw/zinc/34/52/13/388345213.db2.gz SBKMXUGIOPYWQL-OAHLLOKOSA-N 1 0 248.370 3.446 50 0 BGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000055928007 388345419 /nfs/dbraw/zinc/34/54/19/388345419.db2.gz SBKMXUGIOPYWQL-HNNXBMFYSA-N 1 0 248.370 3.446 50 0 BGAARO Fc1ccccc1C[NH2+]Cc1cccs1 ZINC000057263061 181013086 /nfs/dbraw/zinc/01/30/86/181013086.db2.gz XVNJFUKCGMNUES-UHFFFAOYSA-N 1 0 221.300 3.177 50 0 BGAARO c1ccc(OCCC[NH2+]CC2CCCCC2)nc1 ZINC000057353395 384944237 /nfs/dbraw/zinc/94/42/37/384944237.db2.gz DDKQYOOGASMOJN-UHFFFAOYSA-N 1 0 248.370 3.020 50 0 BGAARO CCC[NH+](CCC)c1ccc(N)cc1C ZINC000057381059 169151903 /nfs/dbraw/zinc/15/19/03/169151903.db2.gz BVGDQSOFGMPORF-UHFFFAOYSA-N 1 0 206.333 3.204 50 0 BGAARO Cc1cc(N)ccc1[N@H+](C)C1CCCCC1 ZINC000057381064 178105855 /nfs/dbraw/zinc/10/58/55/178105855.db2.gz GJSWXGNAAQRIAO-UHFFFAOYSA-N 1 0 218.344 3.346 50 0 BGAARO c1ccc(C2(C[NH2+]C3CCCC3)CC2)cc1 ZINC000057394816 183388054 /nfs/dbraw/zinc/38/80/54/183388054.db2.gz CVIGNXXWMHSLMK-UHFFFAOYSA-N 1 0 215.340 3.250 50 0 BGAARO CC[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1C ZINC000057418653 132365569 /nfs/dbraw/zinc/36/55/69/132365569.db2.gz YYURIJVGKUHVRE-CYBMUJFWSA-N 1 0 218.344 3.346 50 0 BGAARO CC[C@H]1CCCC[N@@H+]1c1ccc(N)cc1C ZINC000057418654 132365701 /nfs/dbraw/zinc/36/57/01/132365701.db2.gz YYURIJVGKUHVRE-ZDUSSCGKSA-N 1 0 218.344 3.346 50 0 BGAARO CC[C@@H]1CCCC[N@@H+]1c1ccc(N)c(C)c1 ZINC000057454397 132365959 /nfs/dbraw/zinc/36/59/59/132365959.db2.gz OZULYQNKDCHWJB-GFCCVEGCSA-N 1 0 218.344 3.346 50 0 BGAARO CC[C@H]1CCCC[N@@H+]1c1ccc(N)c(C)c1 ZINC000057454399 132365761 /nfs/dbraw/zinc/36/57/61/132365761.db2.gz OZULYQNKDCHWJB-LBPRGKRZSA-N 1 0 218.344 3.346 50 0 BGAARO CC(C)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000057492125 188127128 /nfs/dbraw/zinc/12/71/28/188127128.db2.gz LECOQDMLFAEFNG-UHFFFAOYSA-N 1 0 203.329 3.137 50 0 BGAARO Cc1ccc2c(c1)C[NH2+]CC21CCCCC1 ZINC000057497497 387006045 /nfs/dbraw/zinc/00/60/45/387006045.db2.gz PWXMASNNXYBWFR-UHFFFAOYSA-N 1 0 215.340 3.300 50 0 BGAARO Fc1ccc2c(c1)C[NH2+]CC21CCCCC1 ZINC000057500505 387027947 /nfs/dbraw/zinc/02/79/47/387027947.db2.gz NTMJXUXXOUGSMM-UHFFFAOYSA-N 1 0 219.303 3.131 50 0 BGAARO CCOC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000057755227 170332014 /nfs/dbraw/zinc/33/20/14/170332014.db2.gz BVZXERBBFUUTBD-RMKNXTFCSA-N 1 0 245.366 3.201 50 0 BGAARO CC(C)(C)c1ccc2c(c1)C[NH2+]CCC2 ZINC000057937941 188356221 /nfs/dbraw/zinc/35/62/21/188356221.db2.gz PMLSQZXGNKKHTD-UHFFFAOYSA-N 1 0 203.329 3.020 50 0 BGAARO CCCCc1ccc2c(c1)C[NH2+]CCC2 ZINC000057937943 169024636 /nfs/dbraw/zinc/02/46/36/169024636.db2.gz GDCUYHIFFUSSIY-UHFFFAOYSA-N 1 0 203.329 3.065 50 0 BGAARO Clc1ccc([C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000057939308 384973649 /nfs/dbraw/zinc/97/36/49/384973649.db2.gz XHUOCWXCQANZGK-SSDOTTSWSA-N 1 0 216.111 3.070 50 0 BGAARO Clc1ccc([C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000057939309 384974430 /nfs/dbraw/zinc/97/44/30/384974430.db2.gz XHUOCWXCQANZGK-ZETCQYMHSA-N 1 0 216.111 3.070 50 0 BGAARO Clc1ccc([C@@H]2CC[NH2+]C2)cc1Cl ZINC000057939311 384973698 /nfs/dbraw/zinc/97/36/98/384973698.db2.gz BZRNHMNSDPKKHM-MRVPVSSYSA-N 1 0 216.111 3.070 50 0 BGAARO Clc1ccc([C@H]2CC[NH2+]C2)cc1Cl ZINC000057939313 384974635 /nfs/dbraw/zinc/97/46/35/384974635.db2.gz BZRNHMNSDPKKHM-QMMMGPOBSA-N 1 0 216.111 3.070 50 0 BGAARO COc1cc2c(cc1C(C)(C)C)CCC[NH2+]C2 ZINC000057954080 175021919 /nfs/dbraw/zinc/02/19/19/175021919.db2.gz PTWCTVSEQZQDCE-UHFFFAOYSA-N 1 0 233.355 3.029 50 0 BGAARO CC1(C)CC(N2CCCC2)=CC(=[N+]2CCCC2)C1 ZINC000058120566 384982590 /nfs/dbraw/zinc/98/25/90/384982590.db2.gz JHLURTREAGIFPK-UHFFFAOYSA-N 1 0 247.406 3.033 50 0 BGAARO C[N@H+](CCCc1ccccc1)Cc1cccnc1 ZINC000058159916 398070646 /nfs/dbraw/zinc/07/06/46/398070646.db2.gz FNJAKDCVTFQDKG-UHFFFAOYSA-N 1 0 240.350 3.146 50 0 BGAARO CC[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058169243 343698239 /nfs/dbraw/zinc/69/82/39/343698239.db2.gz CGNUSJVYCIQGIP-ZDUSSCGKSA-N 1 0 221.369 3.187 50 0 BGAARO CC[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058169244 398070978 /nfs/dbraw/zinc/07/09/78/398070978.db2.gz CGNUSJVYCIQGIP-CYBMUJFWSA-N 1 0 221.369 3.187 50 0 BGAARO Cc1ccc(-c2nc(C[NH+]3CCCC3)co2)cc1 ZINC000058245760 178335843 /nfs/dbraw/zinc/33/58/43/178335843.db2.gz IGHSCVRYBPMXFG-UHFFFAOYSA-N 1 0 242.322 3.246 50 0 BGAARO CC[NH+](CC)Cc1coc(-c2cccc(F)c2)n1 ZINC000058291632 384996799 /nfs/dbraw/zinc/99/67/99/384996799.db2.gz YNXCMLSIICJHCH-UHFFFAOYSA-N 1 0 248.301 3.323 50 0 BGAARO C[N@H+](Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000058341869 384999444 /nfs/dbraw/zinc/99/94/44/384999444.db2.gz REFMZOLCPXAWSQ-UHFFFAOYSA-N 1 0 246.741 3.367 50 0 BGAARO CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000058357944 385001119 /nfs/dbraw/zinc/00/11/19/385001119.db2.gz KVOSWTDGNOVOTC-UHFFFAOYSA-N 1 0 218.127 3.445 50 0 BGAARO CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000058392721 169197744 /nfs/dbraw/zinc/19/77/44/169197744.db2.gz OFQODWLYIZRSGT-CQSZACIVSA-N 1 0 233.355 3.112 50 0 BGAARO CCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000058392722 169199655 /nfs/dbraw/zinc/19/96/55/169199655.db2.gz OFQODWLYIZRSGT-AWEZNQCLSA-N 1 0 233.355 3.112 50 0 BGAARO Cc1cc([N@H+](C)C2CCCCC2)ccc1N ZINC000059233824 178096879 /nfs/dbraw/zinc/09/68/79/178096879.db2.gz SMTQTCYSXNWTOJ-UHFFFAOYSA-N 1 0 218.344 3.346 50 0 BGAARO FC(F)(F)Oc1ccc(C2CC[NH2+]CC2)cc1 ZINC000059688923 385055217 /nfs/dbraw/zinc/05/52/17/385055217.db2.gz FLWRTKZUGCVAGX-UHFFFAOYSA-N 1 0 245.244 3.052 50 0 BGAARO CC(C)(C)c1ccc([C@@H]2[NH2+]CCS2)cc1 ZINC000060095382 385065168 /nfs/dbraw/zinc/06/51/68/385065168.db2.gz KPUXQRCFZKFOPM-GFCCVEGCSA-N 1 0 221.369 3.319 50 0 BGAARO CC(C)(C)c1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000060095383 385064541 /nfs/dbraw/zinc/06/45/41/385064541.db2.gz KPUXQRCFZKFOPM-LBPRGKRZSA-N 1 0 221.369 3.319 50 0 BGAARO Cc1ccccc1N(C(N)=[NH2+])c1ccccc1C ZINC000060296165 179294265 /nfs/dbraw/zinc/29/42/65/179294265.db2.gz SERREGHQSNHRJY-UHFFFAOYSA-N 1 0 239.322 3.335 50 0 BGAARO Cc1ccsc1C[N@H+](C)CCc1ccncc1 ZINC000060625379 384619004 /nfs/dbraw/zinc/61/90/04/384619004.db2.gz CZSPCOGUTLSUPH-UHFFFAOYSA-N 1 0 246.379 3.126 50 0 BGAARO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1cccnc1 ZINC000061325224 384085712 /nfs/dbraw/zinc/08/57/12/384085712.db2.gz SJBCRNRAOZUBGO-CYBMUJFWSA-N 1 0 244.363 3.310 50 0 BGAARO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000061325227 398337545 /nfs/dbraw/zinc/33/75/45/398337545.db2.gz SJBCRNRAOZUBGO-ZDUSSCGKSA-N 1 0 244.363 3.310 50 0 BGAARO Cc1[nH+]c2ccccc2c(N)c1C(C)C ZINC000061687695 180101221 /nfs/dbraw/zinc/10/12/21/180101221.db2.gz IXBIYLVYHJCSDR-UHFFFAOYSA-N 1 0 200.285 3.249 50 0 BGAARO CC(C)([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000061997383 187783818 /nfs/dbraw/zinc/78/38/18/187783818.db2.gz XTKMVDDVLKTAKO-UHFFFAOYSA-N 1 0 241.334 3.459 50 0 BGAARO [NH3+]CC1(Sc2ccccc2)CCCC1 ZINC000062151956 181361218 /nfs/dbraw/zinc/36/12/18/181361218.db2.gz SHPPFZWGGRFORD-UHFFFAOYSA-N 1 0 207.342 3.050 50 0 BGAARO CC(C)[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785914 385188412 /nfs/dbraw/zinc/18/84/12/385188412.db2.gz OXSXHFABZGBSGL-JTQLQIEISA-N 1 0 201.672 3.135 50 0 BGAARO CC(C)[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785915 385187242 /nfs/dbraw/zinc/18/72/42/385187242.db2.gz OXSXHFABZGBSGL-SNVBAGLBSA-N 1 0 201.672 3.135 50 0 BGAARO CC(C)CCn1cc(CC[NH3+])c2ccccc21 ZINC000062950681 346753780 /nfs/dbraw/zinc/75/37/80/346753780.db2.gz PZDPDIKYHQYVHS-UHFFFAOYSA-N 1 0 230.355 3.189 50 0 BGAARO CCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000062950981 385199626 /nfs/dbraw/zinc/19/96/26/385199626.db2.gz WOZIGWHGTHNEJQ-UHFFFAOYSA-N 1 0 223.747 3.371 50 0 BGAARO Clc1ccc(C2CC[NH2+]CC2)c(Cl)c1 ZINC000062951064 385199050 /nfs/dbraw/zinc/19/90/50/385199050.db2.gz KHZMXNYGPDDEAE-UHFFFAOYSA-N 1 0 230.138 3.460 50 0 BGAARO Cc1cccc(NC(=[NH2+])c2ccccc2)c1 ZINC000062989366 187274063 /nfs/dbraw/zinc/27/40/63/187274063.db2.gz QUJIYGVELYPITD-UHFFFAOYSA-N 1 0 210.280 3.432 50 0 BGAARO [NH2+]=C(NCc1cccs1)C1CCCC1 ZINC000062990046 181198604 /nfs/dbraw/zinc/19/86/04/181198604.db2.gz HYQBTRXTFGFWCI-UHFFFAOYSA-N 1 0 208.330 3.005 50 0 BGAARO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccsc1 ZINC000063152389 183295386 /nfs/dbraw/zinc/29/53/86/183295386.db2.gz HGKPJJOKFMJWAF-ZDUSSCGKSA-N 1 0 245.347 3.231 50 0 BGAARO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccsc1 ZINC000063152391 183297371 /nfs/dbraw/zinc/29/73/71/183297371.db2.gz HGKPJJOKFMJWAF-CYBMUJFWSA-N 1 0 245.347 3.231 50 0 BGAARO CCCC(CCC)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063217951 384149017 /nfs/dbraw/zinc/14/90/17/384149017.db2.gz CCQDBZFGSSWAOY-MRXNPFEDSA-N 1 0 249.398 3.148 50 0 BGAARO Cc1cc(-c2ncnc3[nH]ccc32)ccc1F ZINC000063539384 386726284 /nfs/dbraw/zinc/72/62/84/386726284.db2.gz LZXPYCSHIFEZMR-UHFFFAOYSA-N 1 0 227.242 3.072 50 0 BGAARO CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000063762065 169081212 /nfs/dbraw/zinc/08/12/12/169081212.db2.gz ZFTNKKKNDPLCMF-UHFFFAOYSA-N 1 0 215.699 3.321 50 0 BGAARO CC(C)(C)OCC[N@H+](C1CC1)C1CCCC1 ZINC000064809430 387774559 /nfs/dbraw/zinc/77/45/59/387774559.db2.gz XFANRXKLXJVLOZ-UHFFFAOYSA-N 1 0 225.376 3.209 50 0 BGAARO CC[N@H+](Cc1nc(C(C)C)no1)[C@H](C)C(C)C ZINC000065298832 361378096 /nfs/dbraw/zinc/37/80/96/361378096.db2.gz DVBNJLCJFAEABG-LLVKDONJSA-N 1 0 239.363 3.059 50 0 BGAARO Cc1ccc[n+](C23CC4CC(CC(C4)C2)C3)c1 ZINC000065336770 398083211 /nfs/dbraw/zinc/08/32/11/398083211.db2.gz YFSMEOQBHSNBBO-UHFFFAOYSA-N 1 0 228.359 3.208 50 0 BGAARO C1=CC[N@H+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000065336775 187273800 /nfs/dbraw/zinc/27/38/00/187273800.db2.gz LWDGRXBMYBLVIV-UHFFFAOYSA-N 1 0 217.356 3.217 50 0 BGAARO Cc1ccc(-c2cc(N)cc[nH+]2)c2cccnc12 ZINC000065370381 178321036 /nfs/dbraw/zinc/32/10/36/178321036.db2.gz FCBHYJYIXQRKTL-UHFFFAOYSA-N 1 0 235.290 3.187 50 0 BGAARO Cc1cnccc1C[N@H+](C)Cc1ccccc1 ZINC000065372209 385304939 /nfs/dbraw/zinc/30/49/39/385304939.db2.gz PHIZXTAEGPGEFK-UHFFFAOYSA-N 1 0 226.323 3.022 50 0 BGAARO CC(C)Cn1cncc1C[NH2+]C1CCCCCC1 ZINC000065372864 385303470 /nfs/dbraw/zinc/30/34/70/385303470.db2.gz JFLDGLBVHBLYAP-UHFFFAOYSA-N 1 0 249.402 3.352 50 0 BGAARO c1cc(-c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000065380313 183328602 /nfs/dbraw/zinc/32/86/02/183328602.db2.gz MTKQGHPHTNUDIL-UHFFFAOYSA-N 1 0 241.338 3.063 50 0 BGAARO C[C@@H](CCN(C)Cc1ncc[nH]1)c1ccccc1 ZINC000065385710 385303118 /nfs/dbraw/zinc/30/31/18/385303118.db2.gz RCBSUTQSAXZBRE-ZDUSSCGKSA-N 1 0 243.354 3.035 50 0 BGAARO C[C@H](CCN(C)Cc1ncc[nH]1)c1ccccc1 ZINC000065385711 385303983 /nfs/dbraw/zinc/30/39/83/385303983.db2.gz RCBSUTQSAXZBRE-CYBMUJFWSA-N 1 0 243.354 3.035 50 0 BGAARO CC(C)(C)N(Cc1ccsc1)Cc1ncc[nH]1 ZINC000065387893 385302599 /nfs/dbraw/zinc/30/25/99/385302599.db2.gz QVLDDNSAFKECMW-UHFFFAOYSA-N 1 0 249.383 3.272 50 0 BGAARO c1ccc(OCC2(C[NH2+]C3CCCC3)CC2)cc1 ZINC000065396489 385306338 /nfs/dbraw/zinc/30/63/38/385306338.db2.gz KPTBWNFDTACBFI-UHFFFAOYSA-N 1 0 245.366 3.378 50 0 BGAARO Cc1ccc(-c2cccc([C@@H](C)[NH+](C)C)c2)nn1 ZINC000065398726 178326682 /nfs/dbraw/zinc/32/66/82/178326682.db2.gz KUDCREAFNUKHAO-GFCCVEGCSA-N 1 0 241.338 3.075 50 0 BGAARO Cc1ccc(-c2cccc([C@H](C)[NH+](C)C)c2)nn1 ZINC000065398727 178326834 /nfs/dbraw/zinc/32/68/34/178326834.db2.gz KUDCREAFNUKHAO-LBPRGKRZSA-N 1 0 241.338 3.075 50 0 BGAARO CS[C@@H](C)Cc1[nH]cnc1-c1ccccc1 ZINC000065407092 385307173 /nfs/dbraw/zinc/30/71/73/385307173.db2.gz WXJOBUKEYYCZBT-JTQLQIEISA-N 1 0 232.352 3.371 50 0 BGAARO CS[C@H](C)Cc1[nH]cnc1-c1ccccc1 ZINC000065407093 385305588 /nfs/dbraw/zinc/30/55/88/385305588.db2.gz WXJOBUKEYYCZBT-SNVBAGLBSA-N 1 0 232.352 3.371 50 0 BGAARO COc1ccc([C@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000065425095 385309899 /nfs/dbraw/zinc/30/98/99/385309899.db2.gz KGHCWCFQRNWMPU-LBPRGKRZSA-N 1 0 245.322 3.481 50 0 BGAARO COc1ccc([C@@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000065425098 385309876 /nfs/dbraw/zinc/30/98/76/385309876.db2.gz KGHCWCFQRNWMPU-GFCCVEGCSA-N 1 0 245.322 3.481 50 0 BGAARO Cc1ccc(C)c(-c2ccc(C[NH+](C)C)cn2)c1 ZINC000065434354 178460148 /nfs/dbraw/zinc/46/01/48/178460148.db2.gz VWDVVSZJTVOCME-UHFFFAOYSA-N 1 0 240.350 3.427 50 0 BGAARO c1cncc(NCCC[NH2+]C2CCCCCC2)c1 ZINC000065434677 183496409 /nfs/dbraw/zinc/49/64/09/183496409.db2.gz YGGSRONLCLTYCB-UHFFFAOYSA-N 1 0 247.386 3.196 50 0 BGAARO CCCc1nccn1-c1cnc2ccccc2c1 ZINC000065453935 385312011 /nfs/dbraw/zinc/31/20/11/385312011.db2.gz FSOQHRIWTNXSEM-UHFFFAOYSA-N 1 0 237.306 3.373 50 0 BGAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccsc1 ZINC000065458915 387957305 /nfs/dbraw/zinc/95/73/05/387957305.db2.gz MZHQNCDVHHPEAO-UHFFFAOYSA-N 1 0 249.383 3.059 50 0 BGAARO Cc1cc2ncn(-c3cc[nH+]cc3)c2cc1C ZINC000065500260 178305051 /nfs/dbraw/zinc/30/50/51/178305051.db2.gz JPHDYDFHRCFQRR-UHFFFAOYSA-N 1 0 223.279 3.037 50 0 BGAARO c1ccc([C@@H]2CCC[N@@H+]2C2CCSCC2)nc1 ZINC000065504763 409994811 /nfs/dbraw/zinc/99/48/11/409994811.db2.gz DVNTYNRRGOZVBW-AWEZNQCLSA-N 1 0 248.395 3.114 50 0 BGAARO c1ccc([C@H]2CCC[N@@H+]2C2CCSCC2)nc1 ZINC000065504768 409993844 /nfs/dbraw/zinc/99/38/44/409993844.db2.gz DVNTYNRRGOZVBW-CQSZACIVSA-N 1 0 248.395 3.114 50 0 BGAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC000065506165 409993659 /nfs/dbraw/zinc/99/36/59/409993659.db2.gz HDERLWJRYGZXJF-AWEZNQCLSA-N 1 0 240.350 3.145 50 0 BGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC000065506168 409995127 /nfs/dbraw/zinc/99/51/27/409995127.db2.gz HDERLWJRYGZXJF-CQSZACIVSA-N 1 0 240.350 3.145 50 0 BGAARO CC(C)CC[N@H+](CCc1ccncc1)C1CC1 ZINC000065516294 385320468 /nfs/dbraw/zinc/32/04/68/385320468.db2.gz OZPDCOMANWOLRB-UHFFFAOYSA-N 1 0 232.371 3.135 50 0 BGAARO CC[C@@H](C[NH+]1CCSCC1)c1ccccc1 ZINC000065525937 385319790 /nfs/dbraw/zinc/31/97/90/385319790.db2.gz WJMHVBNQGMVULE-ZDUSSCGKSA-N 1 0 235.396 3.229 50 0 BGAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccsc1 ZINC000065526053 385318689 /nfs/dbraw/zinc/31/86/89/385318689.db2.gz NFTBOLYZXHWDDH-LBPRGKRZSA-N 1 0 246.379 3.206 50 0 BGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccsc1 ZINC000065526054 385321839 /nfs/dbraw/zinc/32/18/39/385321839.db2.gz NFTBOLYZXHWDDH-GFCCVEGCSA-N 1 0 246.379 3.206 50 0 BGAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccccn1 ZINC000065528173 343791511 /nfs/dbraw/zinc/79/15/11/343791511.db2.gz WULZOFQOKSGGJZ-HNNXBMFYSA-N 1 0 241.338 3.060 50 0 BGAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1ccccn1 ZINC000065528174 385323155 /nfs/dbraw/zinc/32/31/55/385323155.db2.gz WULZOFQOKSGGJZ-OAHLLOKOSA-N 1 0 241.338 3.060 50 0 BGAARO CCC(CC)[NH2+][C@@H](C)c1cn2ccsc2n1 ZINC000065531566 168391292 /nfs/dbraw/zinc/39/12/92/168391292.db2.gz XHHBDLRZUGZTHQ-VIFPVBQESA-N 1 0 237.372 3.235 50 0 BGAARO CCC(CC)[NH2+][C@H](C)c1cn2ccsc2n1 ZINC000065531568 168392703 /nfs/dbraw/zinc/39/27/03/168392703.db2.gz XHHBDLRZUGZTHQ-SECBINFHSA-N 1 0 237.372 3.235 50 0 BGAARO Cc1ccnc(NCC[NH2+]C2CCCCCC2)c1 ZINC000065533275 385323048 /nfs/dbraw/zinc/32/30/48/385323048.db2.gz ACPZRVUDEFMNJT-UHFFFAOYSA-N 1 0 247.386 3.114 50 0 BGAARO C[NH+](C)CC1(c2ccccc2)CCCCC1 ZINC000066076623 388680681 /nfs/dbraw/zinc/68/06/81/388680681.db2.gz XQUUVZDIAMCEHA-UHFFFAOYSA-N 1 0 217.356 3.450 50 0 BGAARO FC(F)(F)c1ccc2c(c1)CC[C@@]21CCC[NH2+]1 ZINC000066347976 383861161 /nfs/dbraw/zinc/86/11/61/383861161.db2.gz JHRCMLWHFCYKJY-LBPRGKRZSA-N 1 0 241.256 3.230 50 0 BGAARO FC(F)(F)c1ccc2c(c1)CC[C@]21CCC[NH2+]1 ZINC000066347979 383860718 /nfs/dbraw/zinc/86/07/18/383860718.db2.gz JHRCMLWHFCYKJY-GFCCVEGCSA-N 1 0 241.256 3.230 50 0 BGAARO CC[N@H+](CCC(F)(F)F)[C@H]1C=CCCC1 ZINC000066497254 372326306 /nfs/dbraw/zinc/32/63/06/372326306.db2.gz GHHGLOKINHDQRP-JTQLQIEISA-N 1 0 221.266 3.369 50 0 BGAARO CC[N@H+](CCC(F)(F)F)[C@@H]1C=CCCC1 ZINC000066497255 372326469 /nfs/dbraw/zinc/32/64/69/372326469.db2.gz GHHGLOKINHDQRP-SNVBAGLBSA-N 1 0 221.266 3.369 50 0 BGAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000066971146 388404128 /nfs/dbraw/zinc/40/41/28/388404128.db2.gz FQTCUYMVNNNCSA-LLVKDONJSA-N 1 0 246.354 3.096 50 0 BGAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000066971147 388404156 /nfs/dbraw/zinc/40/41/56/388404156.db2.gz FQTCUYMVNNNCSA-NSHDSACASA-N 1 0 246.354 3.096 50 0 BGAARO CCc1ccccc1-c1cccc(CC[NH3+])c1 ZINC000067650089 171869373 /nfs/dbraw/zinc/86/93/73/171869373.db2.gz LSESFPGVRKMPQP-UHFFFAOYSA-N 1 0 225.335 3.417 50 0 BGAARO c1c[nH]c(-c2ccc(C[NH+]3CCCCC3)s2)n1 ZINC000067654148 183323363 /nfs/dbraw/zinc/32/33/63/183323363.db2.gz HYISDEGWIBQINY-UHFFFAOYSA-N 1 0 247.367 3.124 50 0 BGAARO CCC/C=C/c1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000067654191 187274246 /nfs/dbraw/zinc/27/42/46/187274246.db2.gz IDENCUVSXABIEH-SNAWJCMRSA-N 1 0 245.366 3.071 50 0 BGAARO CC[N@H+](Cc1nc(C(C)C)no1)[C@@H](C)C(C)C ZINC000067661066 372840377 /nfs/dbraw/zinc/84/03/77/372840377.db2.gz DVBNJLCJFAEABG-NSHDSACASA-N 1 0 239.363 3.059 50 0 BGAARO c1cn(CCC2=CCCCC2)c([C@@H]2CCOC2)n1 ZINC000067674012 187274309 /nfs/dbraw/zinc/27/43/09/187274309.db2.gz REEOTGUEHPVTPF-CQSZACIVSA-N 1 0 246.354 3.278 50 0 BGAARO COc1cccc(-c2cc(C[NH3+])ccc2F)c1F ZINC000067674900 175233410 /nfs/dbraw/zinc/23/34/10/175233410.db2.gz NWIMUGJRNHIUNH-UHFFFAOYSA-N 1 0 249.260 3.099 50 0 BGAARO Cc1ccc(F)cc1-c1cccc(CC[NH3+])c1 ZINC000067675899 398329325 /nfs/dbraw/zinc/32/93/25/398329325.db2.gz MXAJAEOUQQPLSJ-UHFFFAOYSA-N 1 0 229.298 3.302 50 0 BGAARO CC1(C)CCC[C@H]([NH2+]CCNc2cccnc2)C1 ZINC000067692188 343900787 /nfs/dbraw/zinc/90/07/87/343900787.db2.gz KYHMOYRKWBZLKG-ZDUSSCGKSA-N 1 0 247.386 3.052 50 0 BGAARO CC1(C)CCC[C@@H]([NH2+]CCNc2cccnc2)C1 ZINC000067692189 343901154 /nfs/dbraw/zinc/90/11/54/343901154.db2.gz KYHMOYRKWBZLKG-CYBMUJFWSA-N 1 0 247.386 3.052 50 0 BGAARO O=C(c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000067714520 387098997 /nfs/dbraw/zinc/09/89/97/387098997.db2.gz CBWFPCWVWDBYQL-OAHLLOKOSA-N 1 0 239.318 3.022 50 0 BGAARO O=C(c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000067714521 387098841 /nfs/dbraw/zinc/09/88/41/387098841.db2.gz CBWFPCWVWDBYQL-HNNXBMFYSA-N 1 0 239.318 3.022 50 0 BGAARO C[C@@H](c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000067715301 372855106 /nfs/dbraw/zinc/85/51/06/372855106.db2.gz BNSGIKDVOFPJOS-ZDUSSCGKSA-N 1 0 238.334 3.201 50 0 BGAARO C[C@H](c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000067715302 345763487 /nfs/dbraw/zinc/76/34/87/345763487.db2.gz BNSGIKDVOFPJOS-CYBMUJFWSA-N 1 0 238.334 3.201 50 0 BGAARO [NH3+]Cc1ccc(F)c(/C=C/c2ccccc2)c1 ZINC000067726402 383939353 /nfs/dbraw/zinc/93/93/53/383939353.db2.gz MOCGTTRNZKUZRP-SOFGYWHQSA-N 1 0 227.282 3.455 50 0 BGAARO CC[N@@H+]1CCC[C@H](c2nc3c(cccc3C)[nH]2)C1 ZINC000067726462 372857272 /nfs/dbraw/zinc/85/72/72/372857272.db2.gz OPHACYRMKHVFBL-LBPRGKRZSA-N 1 0 243.354 3.071 50 0 BGAARO CC[N@@H+]1CCC[C@@H](c2nc3c(cccc3C)[nH]2)C1 ZINC000067726466 372856803 /nfs/dbraw/zinc/85/68/03/372856803.db2.gz OPHACYRMKHVFBL-GFCCVEGCSA-N 1 0 243.354 3.071 50 0 BGAARO [NH3+]Cc1cccc(/C=C/c2ccccc2)c1 ZINC000067756086 388407366 /nfs/dbraw/zinc/40/73/66/388407366.db2.gz BLHHECBCUDFCMC-MDZDMXLPSA-N 1 0 209.292 3.316 50 0 BGAARO [NH3+]CCc1cccc(/C=C/c2ccccc2)c1 ZINC000067773414 383943982 /nfs/dbraw/zinc/94/39/82/383943982.db2.gz LKKGORSBBNBYAE-MDZDMXLPSA-N 1 0 223.319 3.358 50 0 BGAARO COc1ccc(F)c(-c2ccccc2CC[NH3+])c1 ZINC000067786935 175124213 /nfs/dbraw/zinc/12/42/13/175124213.db2.gz RPFLKZPOZMHUFH-UHFFFAOYSA-N 1 0 245.297 3.003 50 0 BGAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000067805857 182675838 /nfs/dbraw/zinc/67/58/38/182675838.db2.gz OVRXETSGGBZJBB-CYBMUJFWSA-N 1 0 239.318 3.022 50 0 BGAARO O=C(c1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000067805858 383950324 /nfs/dbraw/zinc/95/03/24/383950324.db2.gz OVRXETSGGBZJBB-ZDUSSCGKSA-N 1 0 239.318 3.022 50 0 BGAARO Cc1ccc(F)c(-c2ccccc2CC[NH3+])c1 ZINC000067820154 383950281 /nfs/dbraw/zinc/95/02/81/383950281.db2.gz ZVHVHRXLDWXOFM-UHFFFAOYSA-N 1 0 229.298 3.302 50 0 BGAARO COc1c(C)cc(-c2ccc(C[NH3+])s2)cc1C ZINC000067822141 383950489 /nfs/dbraw/zinc/95/04/89/383950489.db2.gz RGYOYANNLAWQAV-UHFFFAOYSA-N 1 0 247.363 3.499 50 0 BGAARO COc1c(C)cc(-c2ccccc2C[NH3+])cc1C ZINC000067872559 398094877 /nfs/dbraw/zinc/09/48/77/398094877.db2.gz FNVAEQBNNBXLCH-UHFFFAOYSA-N 1 0 241.334 3.438 50 0 BGAARO CCOc1cccc(-c2ccccc2CC[NH3+])c1 ZINC000067919608 383959496 /nfs/dbraw/zinc/95/94/96/383959496.db2.gz YAWFJSHFIUXUJG-UHFFFAOYSA-N 1 0 241.334 3.254 50 0 BGAARO [NH3+]CCc1ccccc1-c1cnc2ccccc2c1 ZINC000067921396 383960666 /nfs/dbraw/zinc/96/06/66/383960666.db2.gz BFCNQVSVRIRPBH-UHFFFAOYSA-N 1 0 248.329 3.403 50 0 BGAARO c1oc([C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000068576739 383999436 /nfs/dbraw/zinc/99/94/36/383999436.db2.gz DAVXZEUYRTTXAP-NSHDSACASA-N 1 0 220.316 3.147 50 0 BGAARO c1oc([C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000068576741 383999553 /nfs/dbraw/zinc/99/95/53/383999553.db2.gz DAVXZEUYRTTXAP-LLVKDONJSA-N 1 0 220.316 3.147 50 0 BGAARO CC(C)(C)c1ccc(OC[C@H]([NH3+])C2CC2)cc1 ZINC000069082023 191002597 /nfs/dbraw/zinc/00/25/97/191002597.db2.gz IFJFNLCBYSDDAK-AWEZNQCLSA-N 1 0 233.355 3.100 50 0 BGAARO CC(C)(C)c1ccc(OC[C@@H]([NH3+])C2CC2)cc1 ZINC000069082027 384030364 /nfs/dbraw/zinc/03/03/64/384030364.db2.gz IFJFNLCBYSDDAK-CQSZACIVSA-N 1 0 233.355 3.100 50 0 BGAARO C[C@@H](C1CC1)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000069350393 388414180 /nfs/dbraw/zinc/41/41/80/388414180.db2.gz HQEFOBWRLRJBAR-JTQLQIEISA-N 1 0 236.359 3.202 50 0 BGAARO C[C@H](C1CC1)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000069350394 388414415 /nfs/dbraw/zinc/41/44/15/388414415.db2.gz HQEFOBWRLRJBAR-SNVBAGLBSA-N 1 0 236.359 3.202 50 0 BGAARO CC[N@H+](Cc1cccc(F)c1)Cc1ccccn1 ZINC000069437426 373275991 /nfs/dbraw/zinc/27/59/91/373275991.db2.gz NNFVPULOCXPYDR-UHFFFAOYSA-N 1 0 244.313 3.243 50 0 BGAARO COc1cc(C[N@H+](C)C(C)C)ccc1SC ZINC000069516968 388418718 /nfs/dbraw/zinc/41/87/18/388418718.db2.gz RYTOZQPZQHXECU-UHFFFAOYSA-N 1 0 239.384 3.257 50 0 BGAARO CC[NH+](CC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000069520393 388418448 /nfs/dbraw/zinc/41/84/48/388418448.db2.gz LCSAMCIMUJBUOA-UHFFFAOYSA-N 1 0 248.301 3.323 50 0 BGAARO c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000069563503 388420783 /nfs/dbraw/zinc/42/07/83/388420783.db2.gz OGTKVJMTONSEBS-CVEARBPZSA-N 1 0 245.366 3.045 50 0 BGAARO c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000069563508 388421036 /nfs/dbraw/zinc/42/10/36/388421036.db2.gz OGTKVJMTONSEBS-HOTGVXAUSA-N 1 0 245.366 3.045 50 0 BGAARO C/C(=C\c1ccccc1)C[NH2+]Cc1cccnc1 ZINC000069564014 518446376 /nfs/dbraw/zinc/44/63/76/518446376.db2.gz PSBWVWDVKMYRMX-GXDHUFHOSA-N 1 0 238.334 3.275 50 0 BGAARO C[C@@H](c1cccs1)[N@H+](C)Cc1ccccn1 ZINC000069592161 176032539 /nfs/dbraw/zinc/03/25/39/176032539.db2.gz ZHYIDHKQYYTLKR-NSHDSACASA-N 1 0 232.352 3.336 50 0 BGAARO C[C@H](c1cccs1)[N@H+](C)Cc1ccccn1 ZINC000069592165 177048435 /nfs/dbraw/zinc/04/84/35/177048435.db2.gz ZHYIDHKQYYTLKR-LLVKDONJSA-N 1 0 232.352 3.336 50 0 BGAARO CC1([NH2+]Cc2cscn2)CCCCCC1 ZINC000069619684 168064152 /nfs/dbraw/zinc/06/41/52/168064152.db2.gz UGCVFKBPMMACBX-UHFFFAOYSA-N 1 0 224.373 3.346 50 0 BGAARO CCCCOCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069739902 520762744 /nfs/dbraw/zinc/76/27/44/520762744.db2.gz WFHSYNMZXRHWPS-INIZCTEOSA-N 1 0 247.382 3.293 50 0 BGAARO CCCCOCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069739903 520761507 /nfs/dbraw/zinc/76/15/07/520761507.db2.gz WFHSYNMZXRHWPS-MRXNPFEDSA-N 1 0 247.382 3.293 50 0 BGAARO Fc1cccc(F)c1CC[NH2+]Cc1ccccc1 ZINC000069749738 388865245 /nfs/dbraw/zinc/86/52/45/388865245.db2.gz JXTZKDBSZPFWQQ-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO c1ccc2c(c1)CCC[C@@H]2C[C@@H]1CCC[NH2+]1 ZINC000069841688 384064882 /nfs/dbraw/zinc/06/48/82/384064882.db2.gz UCYUPQSMEYOYIB-KGLIPLIRSA-N 1 0 215.340 3.249 50 0 BGAARO c1ccc2c(c1)CCC[C@H]2C[C@@H]1CCC[NH2+]1 ZINC000069841689 183441543 /nfs/dbraw/zinc/44/15/43/183441543.db2.gz UCYUPQSMEYOYIB-KBPBESRZSA-N 1 0 215.340 3.249 50 0 BGAARO c1ccc2c(c1)CCC[C@@H]2C[C@H]1CCC[NH2+]1 ZINC000069841692 183441444 /nfs/dbraw/zinc/44/14/44/183441444.db2.gz UCYUPQSMEYOYIB-ZIAGYGMSSA-N 1 0 215.340 3.249 50 0 BGAARO c1ccc2c(c1)CCC[C@H]2C[C@H]1CCC[NH2+]1 ZINC000069841695 384065942 /nfs/dbraw/zinc/06/59/42/384065942.db2.gz UCYUPQSMEYOYIB-UONOGXRCSA-N 1 0 215.340 3.249 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2ccccc2)c(F)c1 ZINC000069877938 349958011 /nfs/dbraw/zinc/95/80/11/349958011.db2.gz OJTCGMYWQAPQOU-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO Nc1cc[nH+]cc1CCC1CCCCC1 ZINC000069941605 398120962 /nfs/dbraw/zinc/12/09/62/398120962.db2.gz WCFHMGXINWMDOF-UHFFFAOYSA-N 1 0 204.317 3.177 50 0 BGAARO c1sc2ccccc2c1C[C@@H]1CCC[NH2+]C1 ZINC000069975047 384071215 /nfs/dbraw/zinc/07/12/15/384071215.db2.gz WAMZCTCAQXKTHH-NSHDSACASA-N 1 0 231.364 3.443 50 0 BGAARO c1sc2ccccc2c1C[C@H]1CCC[NH2+]C1 ZINC000069975051 384071031 /nfs/dbraw/zinc/07/10/31/384071031.db2.gz WAMZCTCAQXKTHH-LLVKDONJSA-N 1 0 231.364 3.443 50 0 BGAARO C[C@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000070063783 177459164 /nfs/dbraw/zinc/45/91/64/177459164.db2.gz FBRASYBWTIMKFK-CQSZACIVSA-N 1 0 203.329 3.009 50 0 BGAARO C[C@@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000070063784 388258515 /nfs/dbraw/zinc/25/85/15/388258515.db2.gz FBRASYBWTIMKFK-AWEZNQCLSA-N 1 0 203.329 3.009 50 0 BGAARO c1ccc2c(c1)CCCC[C@@]21CCC[NH2+]C1 ZINC000070063785 187274967 /nfs/dbraw/zinc/27/49/67/187274967.db2.gz RRTZRQOJLYTCAQ-HNNXBMFYSA-N 1 0 215.340 3.034 50 0 BGAARO c1ccc2c(c1)CCCC[C@]21CCC[NH2+]C1 ZINC000070063786 384075862 /nfs/dbraw/zinc/07/58/62/384075862.db2.gz RRTZRQOJLYTCAQ-OAHLLOKOSA-N 1 0 215.340 3.034 50 0 BGAARO Cc1noc(C)c1C[NH2+][C@@H](C)C1CCCCC1 ZINC000070144140 384081178 /nfs/dbraw/zinc/08/11/78/384081178.db2.gz WWCVYXVFFNMCBJ-JTQLQIEISA-N 1 0 236.359 3.350 50 0 BGAARO Cc1noc(C)c1C[NH2+][C@H](C)C1CCCCC1 ZINC000070144142 388433931 /nfs/dbraw/zinc/43/39/31/388433931.db2.gz WWCVYXVFFNMCBJ-SNVBAGLBSA-N 1 0 236.359 3.350 50 0 BGAARO Cc1ccc([C@@H]2CN3C(=[NH+]2)C=CC=C3C)cc1 ZINC000070451358 384107945 /nfs/dbraw/zinc/10/79/45/384107945.db2.gz TWDRPEGTJAUTTF-AWEZNQCLSA-N 1 0 224.307 3.224 50 0 BGAARO Cc1ccc([C@H]2CN3C(=[NH+]2)C=CC=C3C)cc1 ZINC000070451359 384108714 /nfs/dbraw/zinc/10/87/14/384108714.db2.gz TWDRPEGTJAUTTF-CQSZACIVSA-N 1 0 224.307 3.224 50 0 BGAARO CCCC1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000070479502 384995500 /nfs/dbraw/zinc/99/55/00/384995500.db2.gz PKBZDHONVUMLEV-HSBZDZAISA-N 1 0 247.386 3.486 50 0 BGAARO CCCC1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000070479503 387815700 /nfs/dbraw/zinc/81/57/00/387815700.db2.gz PKBZDHONVUMLEV-IYXRBSQSSA-N 1 0 247.386 3.486 50 0 BGAARO FC(F)(F)c1ccc([C@@H]2CSCC[NH2+]2)cc1 ZINC000070558299 384119118 /nfs/dbraw/zinc/11/91/18/384119118.db2.gz MPLQHRJLTSFLIN-JTQLQIEISA-N 1 0 247.285 3.083 50 0 BGAARO FC(F)(F)c1cccc([C@@H]2CSCC[NH2+]2)c1 ZINC000070588058 384122552 /nfs/dbraw/zinc/12/25/52/384122552.db2.gz HUNSQMSQZADNKP-JTQLQIEISA-N 1 0 247.285 3.083 50 0 BGAARO FC(F)(F)c1cccc([C@H]2CSCC[NH2+]2)c1 ZINC000070588059 384122043 /nfs/dbraw/zinc/12/20/43/384122043.db2.gz HUNSQMSQZADNKP-SNVBAGLBSA-N 1 0 247.285 3.083 50 0 BGAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1nccs1 ZINC000070634049 384127235 /nfs/dbraw/zinc/12/72/35/384127235.db2.gz LFTQRIRBXKYKFT-VWYCJHECSA-N 1 0 224.373 3.372 50 0 BGAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1nccs1 ZINC000070634050 176919720 /nfs/dbraw/zinc/91/97/20/176919720.db2.gz LFTQRIRBXKYKFT-DCAQKATOSA-N 1 0 224.373 3.372 50 0 BGAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1nccs1 ZINC000070634051 384126417 /nfs/dbraw/zinc/12/64/17/384126417.db2.gz LFTQRIRBXKYKFT-OUAUKWLOSA-N 1 0 224.373 3.372 50 0 BGAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1nccs1 ZINC000070634052 176894274 /nfs/dbraw/zinc/89/42/74/176894274.db2.gz LFTQRIRBXKYKFT-GARJFASQSA-N 1 0 224.373 3.372 50 0 BGAARO [NH3+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070741481 181646235 /nfs/dbraw/zinc/64/62/35/181646235.db2.gz QHGWVAJKFGMLOZ-PWSUYJOCSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000070741482 384136113 /nfs/dbraw/zinc/13/61/13/384136113.db2.gz QHGWVAJKFGMLOZ-JQWIXIFHSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070741483 384136089 /nfs/dbraw/zinc/13/60/89/384136089.db2.gz QHGWVAJKFGMLOZ-ZYHUDNBSSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000070741484 384136324 /nfs/dbraw/zinc/13/63/24/384136324.db2.gz QHGWVAJKFGMLOZ-CMPLNLGQSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000070741778 384136013 /nfs/dbraw/zinc/13/60/13/384136013.db2.gz PQUXWNIBHDPXRE-PWSUYJOCSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000070741780 384136401 /nfs/dbraw/zinc/13/64/01/384136401.db2.gz PQUXWNIBHDPXRE-JQWIXIFHSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000070741781 384136347 /nfs/dbraw/zinc/13/63/47/384136347.db2.gz PQUXWNIBHDPXRE-ZYHUDNBSSA-N 1 0 209.720 3.325 50 0 BGAARO [NH3+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000070741782 384136577 /nfs/dbraw/zinc/13/65/77/384136577.db2.gz PQUXWNIBHDPXRE-CMPLNLGQSA-N 1 0 209.720 3.325 50 0 BGAARO Nc1cc(C2CC2)[nH+]c2ccc(Cl)cc12 ZINC000071008957 384146245 /nfs/dbraw/zinc/14/62/45/384146245.db2.gz WMDDGWKUTMSOHP-UHFFFAOYSA-N 1 0 218.687 3.348 50 0 BGAARO CC[C@@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000071117747 343229635 /nfs/dbraw/zinc/22/96/35/343229635.db2.gz FWRJRNGSARVESO-HIFRSBDPSA-N 1 0 232.371 3.183 50 0 BGAARO CC[C@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000071117755 388267452 /nfs/dbraw/zinc/26/74/52/388267452.db2.gz FWRJRNGSARVESO-ZFWWWQNUSA-N 1 0 232.371 3.183 50 0 BGAARO CC[C@@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000071117760 361950731 /nfs/dbraw/zinc/95/07/31/361950731.db2.gz FWRJRNGSARVESO-UKRRQHHQSA-N 1 0 232.371 3.183 50 0 BGAARO CC[C@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000071117767 388267419 /nfs/dbraw/zinc/26/74/19/388267419.db2.gz FWRJRNGSARVESO-DZGCQCFKSA-N 1 0 232.371 3.183 50 0 BGAARO [NH3+]Cc1ccccc1/C=C/c1ccccc1 ZINC000071278966 385903308 /nfs/dbraw/zinc/90/33/08/385903308.db2.gz IYEKXNDKKWXQLE-ZHACJKMWSA-N 1 0 209.292 3.316 50 0 BGAARO C(=C/c1ccccc1)\CC1CC[NH2+]CC1 ZINC000071289276 398145483 /nfs/dbraw/zinc/14/54/83/398145483.db2.gz QTSFBKWVUYOERR-QPJJXVBHSA-N 1 0 201.313 3.090 50 0 BGAARO CCC[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000071372491 169284249 /nfs/dbraw/zinc/28/42/49/169284249.db2.gz LSUHXIGKBRYHFK-OLZOCXBDSA-N 1 0 225.376 3.114 50 0 BGAARO CCC[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000071372492 169293083 /nfs/dbraw/zinc/29/30/83/169293083.db2.gz LSUHXIGKBRYHFK-STQMWFEESA-N 1 0 225.376 3.114 50 0 BGAARO CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000071372493 169284080 /nfs/dbraw/zinc/28/40/80/169284080.db2.gz LSUHXIGKBRYHFK-CHWSQXEVSA-N 1 0 225.376 3.114 50 0 BGAARO CCC[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000071372494 169292973 /nfs/dbraw/zinc/29/29/73/169292973.db2.gz LSUHXIGKBRYHFK-QWHCGFSZSA-N 1 0 225.376 3.114 50 0 BGAARO Cc1oc(C2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000071373488 398148072 /nfs/dbraw/zinc/14/80/72/398148072.db2.gz QYKDPFJVQCVBJZ-UHFFFAOYSA-N 1 0 242.322 3.117 50 0 BGAARO Cc1ccc(O)c(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071416238 178783639 /nfs/dbraw/zinc/78/36/39/178783639.db2.gz VPYZLAZWFSSNCD-UHFFFAOYSA-N 1 0 239.318 3.013 50 0 BGAARO c1cc2c(cccc2-c2cccc3c2CC[NH2+]C3)[nH]1 ZINC000071422405 183365620 /nfs/dbraw/zinc/36/56/20/183365620.db2.gz RHZHHZPZSFIXHI-UHFFFAOYSA-N 1 0 248.329 3.481 50 0 BGAARO COc1ccccc1[C@@H]([NH3+])CC(C)(C)C ZINC000071510660 175347831 /nfs/dbraw/zinc/34/78/31/175347831.db2.gz WNFNKMGRDLVNDJ-NSHDSACASA-N 1 0 207.317 3.131 50 0 BGAARO COc1ccccc1[C@H]([NH3+])CC(C)(C)C ZINC000071510661 175353128 /nfs/dbraw/zinc/35/31/28/175353128.db2.gz WNFNKMGRDLVNDJ-LLVKDONJSA-N 1 0 207.317 3.131 50 0 BGAARO Clc1cccc([C@@H]2CC[NH2+]C2)c1Cl ZINC000071519559 384168626 /nfs/dbraw/zinc/16/86/26/384168626.db2.gz KKGNZEVIDMVXEE-SSDOTTSWSA-N 1 0 216.111 3.070 50 0 BGAARO Clc1cccc([C@H]2CC[NH2+]C2)c1Cl ZINC000071519560 180592262 /nfs/dbraw/zinc/59/22/62/180592262.db2.gz KKGNZEVIDMVXEE-ZETCQYMHSA-N 1 0 216.111 3.070 50 0 BGAARO [NH3+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000071546814 181334004 /nfs/dbraw/zinc/33/40/04/181334004.db2.gz ZEFPSVIAEJGILX-UHFFFAOYSA-N 1 0 235.636 3.307 50 0 BGAARO [NH3+]CCc1ccc(/C=C\c2ccccc2)cc1 ZINC000071603268 387283452 /nfs/dbraw/zinc/28/34/52/387283452.db2.gz BKOIAMMXTBGSGT-SREVYHEPSA-N 1 0 223.319 3.358 50 0 BGAARO Clc1cccnc1-c1cccc2c1CC[NH2+]C2 ZINC000071682047 384173394 /nfs/dbraw/zinc/17/33/94/384173394.db2.gz NYZZECGCSVGPHQ-UHFFFAOYSA-N 1 0 244.725 3.048 50 0 BGAARO c1cc2ccc(-c3cccc4c3CC[NH2+]C4)cc2[nH]1 ZINC000071753010 183364792 /nfs/dbraw/zinc/36/47/92/183364792.db2.gz SBKXJDIDAMDUOJ-UHFFFAOYSA-N 1 0 248.329 3.481 50 0 BGAARO c1[nH]c2ccccc2c1CC[C@@H]1CCCC[NH2+]1 ZINC000071770929 398160161 /nfs/dbraw/zinc/16/01/61/398160161.db2.gz INESWDCREILNOK-ZDUSSCGKSA-N 1 0 228.339 3.243 50 0 BGAARO c1[nH]c2ccccc2c1CC[C@H]1CCCC[NH2+]1 ZINC000071770931 398160132 /nfs/dbraw/zinc/16/01/32/398160132.db2.gz INESWDCREILNOK-CYBMUJFWSA-N 1 0 228.339 3.243 50 0 BGAARO CN1c2ccccc2NC(=[NH2+])c2ccccc21 ZINC000071774247 173208394 /nfs/dbraw/zinc/20/83/94/173208394.db2.gz SQNNVLHFKQBSAB-UHFFFAOYSA-N 1 0 223.279 3.205 50 0 BGAARO Cc1cc(-c2cccc3c2CC[NH2+]C3)ccc1O ZINC000071776327 384177653 /nfs/dbraw/zinc/17/76/53/384177653.db2.gz FSFNIABSGXQVSU-UHFFFAOYSA-N 1 0 239.318 3.013 50 0 BGAARO Clc1ccc2c(c1)c1c3n2C[NH2+]C[C@@H]3CCC1 ZINC000071788723 490278176 /nfs/dbraw/zinc/27/81/76/490278176.db2.gz ZJDUTFDZIAOJGI-VIFPVBQESA-N 1 0 246.741 3.275 50 0 BGAARO Clc1ccc2c(c1)c1c3n2C[NH2+]C[C@H]3CCC1 ZINC000071788724 180587274 /nfs/dbraw/zinc/58/72/74/180587274.db2.gz ZJDUTFDZIAOJGI-SECBINFHSA-N 1 0 246.741 3.275 50 0 BGAARO [NH3+]Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC000071867302 384184247 /nfs/dbraw/zinc/18/42/47/384184247.db2.gz NDXOPDUEXPJASP-UHFFFAOYSA-N 1 0 244.043 3.471 50 0 BGAARO CC(C)=CC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000071876661 398331615 /nfs/dbraw/zinc/33/16/15/398331615.db2.gz TXBKRVMDJHRRAU-AWEZNQCLSA-N 1 0 247.386 3.140 50 0 BGAARO CC(C)=CC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000071876662 398331559 /nfs/dbraw/zinc/33/15/59/398331559.db2.gz TXBKRVMDJHRRAU-CQSZACIVSA-N 1 0 247.386 3.140 50 0 BGAARO Cc1ccc(C(=O)Nc2ccncc2C)cc1C ZINC000071885873 383895881 /nfs/dbraw/zinc/89/58/81/383895881.db2.gz VFXXUWKLDZHRBE-UHFFFAOYSA-N 1 0 240.306 3.259 50 0 BGAARO Cc1ccc(C(=O)Nc2ccncc2C)s1 ZINC000071885874 383896856 /nfs/dbraw/zinc/89/68/56/383896856.db2.gz NFCGRAORKOQXOU-UHFFFAOYSA-N 1 0 232.308 3.012 50 0 BGAARO Cc1cnccc1NC(=O)CCc1ccsc1 ZINC000071885875 383897268 /nfs/dbraw/zinc/89/72/68/383897268.db2.gz PSWXOPCCSQLCKU-UHFFFAOYSA-N 1 0 246.335 3.023 50 0 BGAARO c1coc([C@H]2CCCC[N@H+]2Cc2ccccn2)c1 ZINC000071909542 342780031 /nfs/dbraw/zinc/78/00/31/342780031.db2.gz QNCHMKXJFDNPMJ-CQSZACIVSA-N 1 0 242.322 3.402 50 0 BGAARO c1coc([C@@H]2CCCC[N@H+]2Cc2ccccn2)c1 ZINC000071909543 342780080 /nfs/dbraw/zinc/78/00/80/342780080.db2.gz QNCHMKXJFDNPMJ-AWEZNQCLSA-N 1 0 242.322 3.402 50 0 BGAARO CCCCC[N@H+](C)Cc1scnc1C ZINC000071910671 384705064 /nfs/dbraw/zinc/70/50/64/384705064.db2.gz JQOVKAIWRNMQCW-UHFFFAOYSA-N 1 0 212.362 3.074 50 0 BGAARO CCCCC[NH+]1CCC(n2cc(C)cn2)CC1 ZINC000071910677 384161248 /nfs/dbraw/zinc/16/12/48/384161248.db2.gz ZIASPPIYYVZCFQ-UHFFFAOYSA-N 1 0 235.375 3.019 50 0 BGAARO Fc1ccc(C(F)(F)F)cc1[C@H]1CCC[NH2+]1 ZINC000072202529 388683136 /nfs/dbraw/zinc/68/31/36/388683136.db2.gz YHLUXUCPXSFYJZ-SNVBAGLBSA-N 1 0 233.208 3.269 50 0 BGAARO Cc1cc([C@@H]2CCC[NH2+]2)ccc1Br ZINC000072202710 178239603 /nfs/dbraw/zinc/23/96/03/178239603.db2.gz JFLBFTBAXZNXHS-NSHDSACASA-N 1 0 240.144 3.182 50 0 BGAARO Cc1cc([C@H]2CCC[NH2+]2)ccc1Br ZINC000072202711 178267658 /nfs/dbraw/zinc/26/76/58/178267658.db2.gz JFLBFTBAXZNXHS-LLVKDONJSA-N 1 0 240.144 3.182 50 0 BGAARO c1c[nH]c(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000072233437 323237276 /nfs/dbraw/zinc/23/72/76/323237276.db2.gz FZVYUKOWQIQNOQ-UHFFFAOYSA-N 1 0 241.338 3.063 50 0 BGAARO FC(F)=C1CCC[N@H+](Cc2ccccc2)C1 ZINC000072267115 187276951 /nfs/dbraw/zinc/27/69/51/187276951.db2.gz HEMFTWBHURUPAB-UHFFFAOYSA-N 1 0 223.266 3.433 50 0 BGAARO CC[C@H](O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000072268817 384899016 /nfs/dbraw/zinc/89/90/16/384899016.db2.gz VRVCSKMVGSCZRF-INIZCTEOSA-N 1 0 243.350 3.043 50 0 BGAARO CC[C@@H](O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000072268818 343116521 /nfs/dbraw/zinc/11/65/21/343116521.db2.gz VRVCSKMVGSCZRF-MRXNPFEDSA-N 1 0 243.350 3.043 50 0 BGAARO Cc1ccc(SC2(C[NH3+])CCCC2)cc1 ZINC000072301830 384205946 /nfs/dbraw/zinc/20/59/46/384205946.db2.gz WIQHRTCQIDULMI-UHFFFAOYSA-N 1 0 221.369 3.359 50 0 BGAARO Clc1cnccc1C[NH+]1CCCCCC1 ZINC000072304854 385193054 /nfs/dbraw/zinc/19/30/54/385193054.db2.gz WVNYPYLBVJSRCB-UHFFFAOYSA-N 1 0 224.735 3.111 50 0 BGAARO COc1cccc([C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000072309028 175292789 /nfs/dbraw/zinc/29/27/89/175292789.db2.gz QIOSOABWTNSLIW-ZDUSSCGKSA-N 1 0 233.355 3.488 50 0 BGAARO COc1cccc([C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000072309029 175286693 /nfs/dbraw/zinc/28/66/93/175286693.db2.gz QIOSOABWTNSLIW-CYBMUJFWSA-N 1 0 233.355 3.488 50 0 BGAARO Cc1ccc(N(CCC(C)(C)O)C(C)C)cc1 ZINC000072309153 343263016 /nfs/dbraw/zinc/26/30/16/343263016.db2.gz YSFDVWICGDVNPG-UHFFFAOYSA-N 1 0 235.371 3.371 50 0 BGAARO CN(C)C(C)(C)C[NH2+]CC1CCCCCCC1 ZINC000072312284 172395964 /nfs/dbraw/zinc/39/59/64/172395964.db2.gz NKFZTMCRPNDWRZ-UHFFFAOYSA-N 1 0 240.435 3.277 50 0 BGAARO CC1(C)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000072313901 167909412 /nfs/dbraw/zinc/90/94/12/167909412.db2.gz SVFXNOIEXLMEGO-ZDUSSCGKSA-N 1 0 203.329 3.355 50 0 BGAARO CC1(C)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000072313902 343979267 /nfs/dbraw/zinc/97/92/67/343979267.db2.gz SVFXNOIEXLMEGO-CYBMUJFWSA-N 1 0 203.329 3.355 50 0 BGAARO C[N@@H+]1CCCC[C@@H]1CCc1ccnc(Cl)c1 ZINC000072343818 173004130 /nfs/dbraw/zinc/00/41/30/173004130.db2.gz AWMNAXUFBXSERS-GFCCVEGCSA-N 1 0 238.762 3.152 50 0 BGAARO C[N@@H+]1CCCC[C@H]1CCc1ccnc(Cl)c1 ZINC000072343819 173008062 /nfs/dbraw/zinc/00/80/62/173008062.db2.gz AWMNAXUFBXSERS-LBPRGKRZSA-N 1 0 238.762 3.152 50 0 BGAARO CC(C)[NH+]1CCC(c2ccnc(Cl)c2)CC1 ZINC000072343842 384208419 /nfs/dbraw/zinc/20/84/19/384208419.db2.gz BJYQHAGJVAJTJC-UHFFFAOYSA-N 1 0 238.762 3.323 50 0 BGAARO C[N@@H+]1CCC[C@H](Cc2ccnc(Cl)c2)CC1 ZINC000072344237 173042515 /nfs/dbraw/zinc/04/25/15/173042515.db2.gz RJCUSLGPILMSIB-NSHDSACASA-N 1 0 238.762 3.009 50 0 BGAARO C[N@@H+]1CCC[C@@H](Cc2ccnc(Cl)c2)CC1 ZINC000072344238 384207229 /nfs/dbraw/zinc/20/72/29/384207229.db2.gz RJCUSLGPILMSIB-LLVKDONJSA-N 1 0 238.762 3.009 50 0 BGAARO CC(C)=CC[NH+]1CCC(c2ccncc2)CC1 ZINC000072476405 188306814 /nfs/dbraw/zinc/30/68/14/188306814.db2.gz SKYSIPJUWAPNKL-UHFFFAOYSA-N 1 0 230.355 3.227 50 0 BGAARO Cc1nc(C[N@@H+](C)C2CCCCC2)cs1 ZINC000072562855 491132072 /nfs/dbraw/zinc/13/20/72/491132072.db2.gz ZTELCYAROBXMKZ-UHFFFAOYSA-N 1 0 224.373 3.216 50 0 BGAARO C[C@@H](CC[NH3+])c1ccc(Cl)cc1Cl ZINC000073658589 384766712 /nfs/dbraw/zinc/76/67/12/384766712.db2.gz NJYGEIPMNNESGU-ZETCQYMHSA-N 1 0 218.127 3.446 50 0 BGAARO C[C@H](CC[NH3+])c1ccc(Cl)cc1Cl ZINC000073658591 176628450 /nfs/dbraw/zinc/62/84/50/176628450.db2.gz NJYGEIPMNNESGU-SSDOTTSWSA-N 1 0 218.127 3.446 50 0 BGAARO C[C@H](SC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000073658672 177026332 /nfs/dbraw/zinc/02/63/32/177026332.db2.gz LMPMLIXDHLWEBJ-LURJTMIESA-N 1 0 214.721 3.028 50 0 BGAARO C[C@@H](SC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000073658678 176006959 /nfs/dbraw/zinc/00/69/59/176006959.db2.gz LMPMLIXDHLWEBJ-ZCFIWIBFSA-N 1 0 214.721 3.028 50 0 BGAARO C[C@@H](C1CC1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000073779579 352752549 /nfs/dbraw/zinc/75/25/49/352752549.db2.gz UDWMRJANEYOXKX-JTQLQIEISA-N 1 0 230.311 3.058 50 0 BGAARO C[C@H](C1CC1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000073779581 352752659 /nfs/dbraw/zinc/75/26/59/352752659.db2.gz UDWMRJANEYOXKX-SNVBAGLBSA-N 1 0 230.311 3.058 50 0 BGAARO Clc1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000074934272 398209913 /nfs/dbraw/zinc/20/99/13/398209913.db2.gz PTYCKRPJEOXPQC-LLVKDONJSA-N 1 0 209.720 3.197 50 0 BGAARO Clc1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000074934273 180585376 /nfs/dbraw/zinc/58/53/76/180585376.db2.gz PTYCKRPJEOXPQC-NSHDSACASA-N 1 0 209.720 3.197 50 0 BGAARO C(=C/[C@@H]1CCCCC[NH2+]1)\c1ccccc1 ZINC000074941914 166225727 /nfs/dbraw/zinc/22/57/27/166225727.db2.gz DGEGHBUXYDGKJU-VNDWYCCKSA-N 1 0 201.313 3.232 50 0 BGAARO C(=C/[C@H]1CCCCC[NH2+]1)\c1ccccc1 ZINC000074941916 166226593 /nfs/dbraw/zinc/22/65/93/166226593.db2.gz DGEGHBUXYDGKJU-PLSXKVAHSA-N 1 0 201.313 3.232 50 0 BGAARO COc1ccc2c(c1)C[NH2+][C@H](C1CCCCC1)C2 ZINC000074942027 175210508 /nfs/dbraw/zinc/21/05/08/175210508.db2.gz GWZCDZYYXOWEKT-INIZCTEOSA-N 1 0 245.366 3.290 50 0 BGAARO COc1ccc2c(c1)C[NH2+][C@@H](C1CCCCC1)C2 ZINC000074942029 175211089 /nfs/dbraw/zinc/21/10/89/175211089.db2.gz GWZCDZYYXOWEKT-MRXNPFEDSA-N 1 0 245.366 3.290 50 0 BGAARO CCC[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000074992512 169191722 /nfs/dbraw/zinc/19/17/22/169191722.db2.gz OWRNMSLOWSHOPV-UHFFFAOYSA-N 1 0 233.355 3.285 50 0 BGAARO CCc1cnc(C[NH+]2CCCCCCC2)o1 ZINC000075590088 541323731 /nfs/dbraw/zinc/32/37/31/541323731.db2.gz CYGMWZWURLXVQH-UHFFFAOYSA-N 1 0 222.332 3.003 50 0 BGAARO CCc1cnc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)o1 ZINC000075769248 345867741 /nfs/dbraw/zinc/86/77/41/345867741.db2.gz YLBYNWNNMBJWRE-YPMHNXCESA-N 1 0 234.343 3.002 50 0 BGAARO CCc1cnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000075769249 345867468 /nfs/dbraw/zinc/86/74/68/345867468.db2.gz YLBYNWNNMBJWRE-AAEUAGOBSA-N 1 0 234.343 3.002 50 0 BGAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1CCOCC1 ZINC000075837343 349265285 /nfs/dbraw/zinc/26/52/85/349265285.db2.gz HDNQYEGFDDVZLD-SNPRPXQTSA-N 1 0 237.387 3.066 50 0 BGAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1CCOCC1 ZINC000075837345 349265333 /nfs/dbraw/zinc/26/53/33/349265333.db2.gz HDNQYEGFDDVZLD-YUELXQCFSA-N 1 0 237.387 3.066 50 0 BGAARO Cc1nc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)oc1C ZINC000075837722 388471036 /nfs/dbraw/zinc/47/10/36/388471036.db2.gz WOYDVHAKJVFTHE-HONMWMINSA-N 1 0 248.370 3.444 50 0 BGAARO C[N@H+](CCOc1ccc(Cl)cc1)C1CCC1 ZINC000075841352 388357481 /nfs/dbraw/zinc/35/74/81/388357481.db2.gz SNBHLFDAGVZKNJ-UHFFFAOYSA-N 1 0 239.746 3.203 50 0 BGAARO C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1F ZINC000075925267 631284022 /nfs/dbraw/zinc/28/40/22/631284022.db2.gz APJJLAONAVJKJU-BYPYZUCNSA-N 1 0 208.063 3.152 50 0 BGAARO C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1F ZINC000075925269 537930998 /nfs/dbraw/zinc/93/09/98/537930998.db2.gz APJJLAONAVJKJU-SCSAIBSYSA-N 1 0 208.063 3.152 50 0 BGAARO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000075934061 181333443 /nfs/dbraw/zinc/33/34/43/181333443.db2.gz XEYCCHKMMMJOHM-UHFFFAOYSA-N 1 0 215.218 3.043 50 0 BGAARO Cc1cc([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)[nH]n1 ZINC000076060350 362961339 /nfs/dbraw/zinc/96/13/39/362961339.db2.gz QBFCYPBGAONXBJ-KGLIPLIRSA-N 1 0 245.370 3.006 50 0 BGAARO Cc1cc([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)[nH]n1 ZINC000076060353 362960813 /nfs/dbraw/zinc/96/08/13/362960813.db2.gz QBFCYPBGAONXBJ-KBPBESRZSA-N 1 0 245.370 3.006 50 0 BGAARO [NH3+]CC[C@@H](COc1ccccc1)c1ccccc1 ZINC000076623799 384192099 /nfs/dbraw/zinc/19/20/99/384192099.db2.gz JNOJWGXXUAHIHL-HNNXBMFYSA-N 1 0 241.334 3.198 50 0 BGAARO [NH3+]CC[C@H](COc1ccccc1)c1ccccc1 ZINC000076623802 384192686 /nfs/dbraw/zinc/19/26/86/384192686.db2.gz JNOJWGXXUAHIHL-OAHLLOKOSA-N 1 0 241.334 3.198 50 0 BGAARO CCn1ccnc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000076693001 172220177 /nfs/dbraw/zinc/22/01/77/172220177.db2.gz AYNMZTFSKTWJBG-KGLIPLIRSA-N 1 0 247.386 3.058 50 0 BGAARO CCn1ccnc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000076693005 172220591 /nfs/dbraw/zinc/22/05/91/172220591.db2.gz AYNMZTFSKTWJBG-KBPBESRZSA-N 1 0 247.386 3.058 50 0 BGAARO C[N@H+](CC1CC1)[C@@H]1CCCc2ccccc21 ZINC000077194802 488158234 /nfs/dbraw/zinc/15/82/34/488158234.db2.gz HDELDEWZHPCEBG-OAHLLOKOSA-N 1 0 215.340 3.406 50 0 BGAARO C[N@H+](CC1CC1)[C@H]1CCCc2ccccc21 ZINC000077194803 488158305 /nfs/dbraw/zinc/15/83/05/488158305.db2.gz HDELDEWZHPCEBG-HNNXBMFYSA-N 1 0 215.340 3.406 50 0 BGAARO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000077204602 345872593 /nfs/dbraw/zinc/87/25/93/345872593.db2.gz ILDKSLJNKXGJRY-QPSCCSFWSA-N 1 0 239.403 3.096 50 0 BGAARO Fc1ccccc1[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC000077391971 187280441 /nfs/dbraw/zinc/28/04/41/187280441.db2.gz YZIFPWHVGKYGLW-GFCCVEGCSA-N 1 0 242.297 3.215 50 0 BGAARO Fc1ccccc1[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC000077391976 188312010 /nfs/dbraw/zinc/31/20/10/188312010.db2.gz YZIFPWHVGKYGLW-LBPRGKRZSA-N 1 0 242.297 3.215 50 0 BGAARO C1=[N+](C2CCCCC2)CCN1C1CCCCC1 ZINC000077989075 348782916 /nfs/dbraw/zinc/78/29/16/348782916.db2.gz FPCRBISAWDWBOZ-UHFFFAOYSA-N 1 0 235.395 3.008 50 0 BGAARO C[N@H+](Cc1cccc2ccccc21)CC(C)(C)O ZINC000078489867 384770347 /nfs/dbraw/zinc/77/03/47/384770347.db2.gz HMGIZRJEBBTSNO-UHFFFAOYSA-N 1 0 243.350 3.043 50 0 BGAARO CC[N@@H+]1CCc2ccc(Cl)cc2[C@@H]1C ZINC000079112094 170025350 /nfs/dbraw/zinc/02/53/50/170025350.db2.gz XVYRQOSNLRTEDE-VIFPVBQESA-N 1 0 209.720 3.279 50 0 BGAARO CC[N@@H+]1CCc2ccc(Cl)cc2[C@H]1C ZINC000079112095 170025505 /nfs/dbraw/zinc/02/55/05/170025505.db2.gz XVYRQOSNLRTEDE-SECBINFHSA-N 1 0 209.720 3.279 50 0 BGAARO c1ccc(SCCC2CC[NH2+]CC2)cc1 ZINC000079231198 384487535 /nfs/dbraw/zinc/48/75/35/384487535.db2.gz CUBJARGOTLSISI-UHFFFAOYSA-N 1 0 221.369 3.168 50 0 BGAARO C[C@@H]1C[N@H+](Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000081573926 176307243 /nfs/dbraw/zinc/30/72/43/176307243.db2.gz QLSPNQLJOCQGOJ-CJNGLKHVSA-N 1 0 238.334 3.275 50 0 BGAARO C[C@H]1C[N@H+](Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000081573927 177266405 /nfs/dbraw/zinc/26/64/05/177266405.db2.gz QLSPNQLJOCQGOJ-BBRMVZONSA-N 1 0 238.334 3.275 50 0 BGAARO C[NH2+][C@@H](CSc1ccc(C)cc1)C1CC1 ZINC000081853034 384640489 /nfs/dbraw/zinc/64/04/89/384640489.db2.gz OAGFJRVFXBTZFU-ZDUSSCGKSA-N 1 0 221.369 3.085 50 0 BGAARO C[NH2+][C@H](CSc1ccc(C)cc1)C1CC1 ZINC000081853038 384639506 /nfs/dbraw/zinc/63/95/06/384639506.db2.gz OAGFJRVFXBTZFU-CYBMUJFWSA-N 1 0 221.369 3.085 50 0 BGAARO CC[C@H]([NH3+])CSc1ccc(C)c(C)c1 ZINC000081867868 171485822 /nfs/dbraw/zinc/48/58/22/171485822.db2.gz AGCIHLAIYXOLGH-NSHDSACASA-N 1 0 209.358 3.133 50 0 BGAARO CC[C@@H]([NH3+])CSc1ccc(C)c(C)c1 ZINC000081867869 170865350 /nfs/dbraw/zinc/86/53/50/170865350.db2.gz AGCIHLAIYXOLGH-LLVKDONJSA-N 1 0 209.358 3.133 50 0 BGAARO CC[N@@H+]1CCc2c(Cl)cccc2[C@@H]1C ZINC000082163105 170023281 /nfs/dbraw/zinc/02/32/81/170023281.db2.gz NCRHRRYPEPMWDU-VIFPVBQESA-N 1 0 209.720 3.279 50 0 BGAARO CC[N@@H+]1CCc2c(Cl)cccc2[C@H]1C ZINC000082163106 170024288 /nfs/dbraw/zinc/02/42/88/170024288.db2.gz NCRHRRYPEPMWDU-SECBINFHSA-N 1 0 209.720 3.279 50 0 BGAARO C[C@H]1[NH2+]CCc2ccccc2[C@H]1c1ccccc1 ZINC000082164089 384647980 /nfs/dbraw/zinc/64/79/80/384647980.db2.gz RIFAWXYCZNRRFH-CXAGYDPISA-N 1 0 237.346 3.353 50 0 BGAARO C[C@@H]1[NH2+]CCc2ccccc2[C@H]1c1ccccc1 ZINC000082164091 384647942 /nfs/dbraw/zinc/64/79/42/384647942.db2.gz RIFAWXYCZNRRFH-SUMWQHHRSA-N 1 0 237.346 3.353 50 0 BGAARO C[C@H]1[NH2+]CCc2ccccc2[C@@H]1c1ccccc1 ZINC000082164093 384646980 /nfs/dbraw/zinc/64/69/80/384646980.db2.gz RIFAWXYCZNRRFH-DYVFJYSZSA-N 1 0 237.346 3.353 50 0 BGAARO C[C@@H]1[NH2+]CCc2ccccc2[C@@H]1c1ccccc1 ZINC000082164095 384647433 /nfs/dbraw/zinc/64/74/33/384647433.db2.gz RIFAWXYCZNRRFH-GUYCJALGSA-N 1 0 237.346 3.353 50 0 BGAARO C[NH2+]Cc1c2cc(C)ccc2nc2c1CCCC2 ZINC000082478772 173385251 /nfs/dbraw/zinc/38/52/51/173385251.db2.gz CMNGHMICDKMABB-UHFFFAOYSA-N 1 0 240.350 3.141 50 0 BGAARO C[NH2+]Cc1c2c(nc3ccc(Cl)cc31)CCC2 ZINC000082479853 173385230 /nfs/dbraw/zinc/38/52/30/173385230.db2.gz LNGVEKDCFKOPSO-UHFFFAOYSA-N 1 0 246.741 3.096 50 0 BGAARO CC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503575 322824319 /nfs/dbraw/zinc/82/43/19/322824319.db2.gz ZRCKZCLUXWVFEX-SNVBAGLBSA-N 1 0 209.308 3.270 50 0 BGAARO CC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503576 384428906 /nfs/dbraw/zinc/42/89/06/384428906.db2.gz ZRCKZCLUXWVFEX-JTQLQIEISA-N 1 0 209.308 3.270 50 0 BGAARO CC[C@@H](Cc1c(C)[nH]c2ccccc21)[NH2+]C ZINC000082535726 384690114 /nfs/dbraw/zinc/69/01/14/384690114.db2.gz KEHBXJRHDCIXQC-NSHDSACASA-N 1 0 216.328 3.017 50 0 BGAARO CC[C@H](Cc1c(C)[nH]c2ccccc21)[NH2+]C ZINC000082535728 171469306 /nfs/dbraw/zinc/46/93/06/171469306.db2.gz KEHBXJRHDCIXQC-LLVKDONJSA-N 1 0 216.328 3.017 50 0 BGAARO CC[C@@H](C)c1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000082541765 566410203 /nfs/dbraw/zinc/41/02/03/566410203.db2.gz RCURUQWYJDXPTG-SNVBAGLBSA-N 1 0 229.327 3.049 50 0 BGAARO CC[C@H](C)c1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000082541767 566410127 /nfs/dbraw/zinc/41/01/27/566410127.db2.gz RCURUQWYJDXPTG-JTQLQIEISA-N 1 0 229.327 3.049 50 0 BGAARO Cc1ccc(C2(C[NH3+])CCCC2)c(C)c1 ZINC000082592829 384695403 /nfs/dbraw/zinc/69/54/03/384695403.db2.gz ZYXFNINZSLEFPQ-UHFFFAOYSA-N 1 0 203.329 3.074 50 0 BGAARO CC1(C)CC[C@@H]2C[C@H]([NH3+])c3cccc1c32 ZINC000082617984 344159019 /nfs/dbraw/zinc/15/90/19/344159019.db2.gz DHDVHLFYSOPDEB-SKDRFNHKSA-N 1 0 201.313 3.245 50 0 BGAARO CC1(C)CC[C@H]2C[C@H]([NH3+])c3cccc1c32 ZINC000082617985 167943852 /nfs/dbraw/zinc/94/38/52/167943852.db2.gz DHDVHLFYSOPDEB-CABZTGNLSA-N 1 0 201.313 3.245 50 0 BGAARO CC1(C)CC[C@@H]2C[C@@H]([NH3+])c3cccc1c32 ZINC000082617986 167938418 /nfs/dbraw/zinc/93/84/18/167938418.db2.gz DHDVHLFYSOPDEB-BXKDBHETSA-N 1 0 201.313 3.245 50 0 BGAARO CC1(C)CC[C@H]2C[C@@H]([NH3+])c3cccc1c32 ZINC000082617987 344158878 /nfs/dbraw/zinc/15/88/78/344158878.db2.gz DHDVHLFYSOPDEB-JOYOIKCWSA-N 1 0 201.313 3.245 50 0 BGAARO CCn1cc(C2=CC[NH2+]CC2)c2ccccc21 ZINC000082728954 172158131 /nfs/dbraw/zinc/15/81/31/172158131.db2.gz DRBUKXJMXVWUCC-UHFFFAOYSA-N 1 0 226.323 3.038 50 0 BGAARO C[NH2+][C@@H](CSc1ccc(Cl)cc1)C1CC1 ZINC000082743800 384708716 /nfs/dbraw/zinc/70/87/16/384708716.db2.gz QGEJRPJGUIROPL-LBPRGKRZSA-N 1 0 241.787 3.430 50 0 BGAARO C[NH2+][C@H](CSc1ccc(Cl)cc1)C1CC1 ZINC000082743801 384706120 /nfs/dbraw/zinc/70/61/20/384706120.db2.gz QGEJRPJGUIROPL-GFCCVEGCSA-N 1 0 241.787 3.430 50 0 BGAARO Clc1ccc([C@H]2C[NH2+][C@@H](C3CC3)C2)cc1 ZINC000083035405 398067523 /nfs/dbraw/zinc/06/75/23/398067523.db2.gz SYULNAJRRVSDDB-DGCLKSJQSA-N 1 0 221.731 3.196 50 0 BGAARO Clc1ccc([C@@H]2C[NH2+][C@@H](C3CC3)C2)cc1 ZINC000083035409 398067678 /nfs/dbraw/zinc/06/76/78/398067678.db2.gz SYULNAJRRVSDDB-WCQYABFASA-N 1 0 221.731 3.196 50 0 BGAARO Clc1ccc([C@H]2C[NH2+][C@H](C3CC3)C2)cc1 ZINC000083035410 398067584 /nfs/dbraw/zinc/06/75/84/398067584.db2.gz SYULNAJRRVSDDB-YPMHNXCESA-N 1 0 221.731 3.196 50 0 BGAARO Clc1ccc([C@@H]2C[NH2+][C@H](C3CC3)C2)cc1 ZINC000083035416 398067496 /nfs/dbraw/zinc/06/74/96/398067496.db2.gz SYULNAJRRVSDDB-AAEUAGOBSA-N 1 0 221.731 3.196 50 0 BGAARO Clc1ccc2[nH]c(C3CC[NH2+]CC3)cc2c1 ZINC000083106749 384741732 /nfs/dbraw/zinc/74/17/32/384741732.db2.gz LLCORCOHPKCEEK-UHFFFAOYSA-N 1 0 234.730 3.288 50 0 BGAARO NC(=[NH2+])SCCc1ccc(Cl)c(Cl)c1 ZINC000083254001 181192574 /nfs/dbraw/zinc/19/25/74/181192574.db2.gz BXGBLZPKBJAYTH-UHFFFAOYSA-N 1 0 249.166 3.163 50 0 BGAARO Cc1c2cc(C)ccc2[nH]c1C1CC[NH2+]CC1 ZINC000083325613 384759526 /nfs/dbraw/zinc/75/95/26/384759526.db2.gz LARPDXSNXHOWRB-UHFFFAOYSA-N 1 0 228.339 3.252 50 0 BGAARO NC(=[NH2+])SCc1cc(Cl)ccc1Cl ZINC000083698632 181192842 /nfs/dbraw/zinc/19/28/42/181192842.db2.gz QRRCLSWNVVAXON-UHFFFAOYSA-N 1 0 235.139 3.120 50 0 BGAARO C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000083723465 538520164 /nfs/dbraw/zinc/52/01/64/538520164.db2.gz UNZBTDZYACGVKH-CYBMUJFWSA-N 1 0 214.312 3.073 50 0 BGAARO C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000083723468 538520336 /nfs/dbraw/zinc/52/03/36/538520336.db2.gz UNZBTDZYACGVKH-ZDUSSCGKSA-N 1 0 214.312 3.073 50 0 BGAARO C/C(=C/c1ccccc1)C[NH2+]Cc1cccnc1 ZINC000083812911 384755136 /nfs/dbraw/zinc/75/51/36/384755136.db2.gz PSBWVWDVKMYRMX-UVTDQMKNSA-N 1 0 238.334 3.275 50 0 BGAARO Cc1nc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)sc1C ZINC000084062572 538526747 /nfs/dbraw/zinc/52/67/47/538526747.db2.gz RGMTTYGTKIVYAY-BETUJISGSA-N 1 0 248.395 3.158 50 0 BGAARO Cc1nc(C[NH+]2C[C@H]3CC=CC[C@@H]3C2)sc1C ZINC000084062576 538527153 /nfs/dbraw/zinc/52/71/53/538527153.db2.gz RGMTTYGTKIVYAY-CHWSQXEVSA-N 1 0 248.395 3.158 50 0 BGAARO Cc1nc(C[NH+]2C[C@@H]3CC=CC[C@H]3C2)sc1C ZINC000084062579 538527230 /nfs/dbraw/zinc/52/72/30/538527230.db2.gz RGMTTYGTKIVYAY-STQMWFEESA-N 1 0 248.395 3.158 50 0 BGAARO Fc1cccc(-c2cnc(C[NH+]3CCCC3)o2)c1 ZINC000084372688 388656535 /nfs/dbraw/zinc/65/65/35/388656535.db2.gz JFJQEAKWPHGVOC-UHFFFAOYSA-N 1 0 246.285 3.077 50 0 BGAARO C[C@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000084530266 388509058 /nfs/dbraw/zinc/50/90/58/388509058.db2.gz VYWSQZUPZFAQCQ-YFKPBYRVSA-N 1 0 234.524 3.122 50 0 BGAARO C[C@@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000084530268 398320745 /nfs/dbraw/zinc/32/07/45/398320745.db2.gz VYWSQZUPZFAQCQ-RXMQYKEDSA-N 1 0 234.524 3.122 50 0 BGAARO C[C@H]([NH3+])c1cc(Cl)ccc1Br ZINC000084530279 398320991 /nfs/dbraw/zinc/32/09/91/398320991.db2.gz YWAIBVYCGUKECT-YFKPBYRVSA-N 1 0 234.524 3.122 50 0 BGAARO C[C@@H]([NH3+])c1cc(Cl)ccc1Br ZINC000084530280 398320970 /nfs/dbraw/zinc/32/09/70/398320970.db2.gz YWAIBVYCGUKECT-RXMQYKEDSA-N 1 0 234.524 3.122 50 0 BGAARO Cc1cc(CC(C)(C)[NH3+])ccc1Br ZINC000084549419 177961279 /nfs/dbraw/zinc/96/12/79/177961279.db2.gz WJJQGJSDHMHEFR-UHFFFAOYSA-N 1 0 242.160 3.037 50 0 BGAARO CC(C)[N@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000084597283 187285724 /nfs/dbraw/zinc/28/57/24/187285724.db2.gz LSIRMIXOUIQEJU-UHFFFAOYSA-N 1 0 230.311 3.201 50 0 BGAARO CCCC(CCC)[NH2+]Cc1c(C)noc1C ZINC000084740410 384766151 /nfs/dbraw/zinc/76/61/51/384766151.db2.gz DRXVXWRMXYCVCD-UHFFFAOYSA-N 1 0 224.348 3.350 50 0 BGAARO Clc1ccc2c(c1)CCC[C@@]21CCC[NH2+]C1 ZINC000084787405 643671808 /nfs/dbraw/zinc/67/18/08/643671808.db2.gz CJEXATAOEYWREX-AWEZNQCLSA-N 1 0 235.758 3.298 50 0 BGAARO Clc1ccc2c(c1)CCC[C@]21CCC[NH2+]C1 ZINC000084787407 643672495 /nfs/dbraw/zinc/67/24/95/643672495.db2.gz CJEXATAOEYWREX-CQSZACIVSA-N 1 0 235.758 3.298 50 0 BGAARO [NH3+]CCCSC12CC3CC(CC(C3)C1)C2 ZINC000085392078 181384481 /nfs/dbraw/zinc/38/44/81/181384481.db2.gz XTWMKBNXGORFNJ-UHFFFAOYSA-N 1 0 225.401 3.037 50 0 BGAARO CCC[NH2+]Cc1cccc(Br)c1F ZINC000085476876 169268274 /nfs/dbraw/zinc/26/82/74/169268274.db2.gz AJMVFASBWROMOG-UHFFFAOYSA-N 1 0 246.123 3.088 50 0 BGAARO CC(C)[NH2+]Cc1c(F)cccc1Br ZINC000085476942 167117476 /nfs/dbraw/zinc/11/74/76/167117476.db2.gz MWVYNXRZXJLGMN-UHFFFAOYSA-N 1 0 246.123 3.086 50 0 BGAARO CCC[NH2+]Cc1c(F)cccc1Br ZINC000085476947 169265632 /nfs/dbraw/zinc/26/56/32/169265632.db2.gz FQCCVTXTBPNYAM-UHFFFAOYSA-N 1 0 246.123 3.088 50 0 BGAARO CC(C)[NH2+]Cc1cccc(Br)c1F ZINC000085476948 167119025 /nfs/dbraw/zinc/11/90/25/167119025.db2.gz SDJXPLGJENBBML-UHFFFAOYSA-N 1 0 246.123 3.086 50 0 BGAARO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000085697761 384961290 /nfs/dbraw/zinc/96/12/90/384961290.db2.gz CDTAIMKIHOWZIQ-LLVKDONJSA-N 1 0 229.245 3.304 50 0 BGAARO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000085697765 384960719 /nfs/dbraw/zinc/96/07/19/384960719.db2.gz CDTAIMKIHOWZIQ-NSHDSACASA-N 1 0 229.245 3.304 50 0 BGAARO C[C@]1(Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000085697920 134524648 /nfs/dbraw/zinc/52/46/48/134524648.db2.gz HNPAGNPTVBZQJT-GFCCVEGCSA-N 1 0 209.720 3.025 50 0 BGAARO C[C@@]1(Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000085697923 134525241 /nfs/dbraw/zinc/52/52/41/134525241.db2.gz HNPAGNPTVBZQJT-LBPRGKRZSA-N 1 0 209.720 3.025 50 0 BGAARO C[C@]1(Cc2ccc(Cl)s2)CCC[NH2+]1 ZINC000085698134 538545969 /nfs/dbraw/zinc/54/59/69/538545969.db2.gz OUDOGWDWCOWIJU-SNVBAGLBSA-N 1 0 215.749 3.086 50 0 BGAARO C[C@@]1(Cc2ccc(Cl)s2)CCC[NH2+]1 ZINC000085698136 538546163 /nfs/dbraw/zinc/54/61/63/538546163.db2.gz OUDOGWDWCOWIJU-JTQLQIEISA-N 1 0 215.749 3.086 50 0 BGAARO Cc1cc(C[NH2+]C2CC2)ccc1Br ZINC000085706582 178018364 /nfs/dbraw/zinc/01/83/64/178018364.db2.gz PGXGKQCHZOYCBJ-UHFFFAOYSA-N 1 0 240.144 3.010 50 0 BGAARO CCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706590 169266773 /nfs/dbraw/zinc/26/67/73/169266773.db2.gz SENWTEJZYWFILL-UHFFFAOYSA-N 1 0 242.160 3.257 50 0 BGAARO Cc1cc(C[NH2+]C(C)C)ccc1Br ZINC000085706610 178016668 /nfs/dbraw/zinc/01/66/68/178016668.db2.gz DUFKRFKPVRJTTA-UHFFFAOYSA-N 1 0 242.160 3.256 50 0 BGAARO CCC(CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000085789454 168390864 /nfs/dbraw/zinc/39/08/64/168390864.db2.gz VVYFNGRIVMOYHF-CYBMUJFWSA-N 1 0 218.344 3.237 50 0 BGAARO CCC(CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000085789456 168392363 /nfs/dbraw/zinc/39/23/63/168392363.db2.gz VVYFNGRIVMOYHF-ZDUSSCGKSA-N 1 0 218.344 3.237 50 0 BGAARO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085976888 179337261 /nfs/dbraw/zinc/33/72/61/179337261.db2.gz QDENVOWRQYNNAR-DZKIICNBSA-N 1 0 247.382 3.197 50 0 BGAARO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085976897 179337715 /nfs/dbraw/zinc/33/77/15/179337715.db2.gz QDENVOWRQYNNAR-LZWOXQAQSA-N 1 0 247.382 3.197 50 0 BGAARO C[C@H](O)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000085984161 384773735 /nfs/dbraw/zinc/77/37/35/384773735.db2.gz ZBYXOZOUTXAEFH-JEYLPNPQSA-N 1 0 247.382 3.073 50 0 BGAARO C[C@@H](O)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000085984162 384771463 /nfs/dbraw/zinc/77/14/63/384771463.db2.gz ZBYXOZOUTXAEFH-IUDNXUCKSA-N 1 0 247.382 3.073 50 0 BGAARO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000086120495 384986758 /nfs/dbraw/zinc/98/67/58/384986758.db2.gz YLQWYNQNQQLOSM-GXFFZTMASA-N 1 0 241.762 3.008 50 0 BGAARO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000086120496 343610512 /nfs/dbraw/zinc/61/05/12/343610512.db2.gz YLQWYNQNQQLOSM-GWCFXTLKSA-N 1 0 241.762 3.008 50 0 BGAARO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000086120497 384987273 /nfs/dbraw/zinc/98/72/73/384987273.db2.gz YLQWYNQNQQLOSM-ZWNOBZJWSA-N 1 0 241.762 3.008 50 0 BGAARO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000086120500 343610625 /nfs/dbraw/zinc/61/06/25/343610625.db2.gz YLQWYNQNQQLOSM-MFKMUULPSA-N 1 0 241.762 3.008 50 0 BGAARO CC1(C)CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000086873103 359889561 /nfs/dbraw/zinc/88/95/61/359889561.db2.gz XAKQZQKQTJXBFW-NSHDSACASA-N 1 0 213.390 3.050 50 0 BGAARO CC1(C)CCC[C@H]1[NH2+]C1CCSCC1 ZINC000086873106 167915057 /nfs/dbraw/zinc/91/50/57/167915057.db2.gz XAKQZQKQTJXBFW-LLVKDONJSA-N 1 0 213.390 3.050 50 0 BGAARO CC[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000087816675 170153374 /nfs/dbraw/zinc/15/33/74/170153374.db2.gz VAERTUSTBUVEJY-SNVBAGLBSA-N 1 0 248.757 3.288 50 0 BGAARO CC[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000087816676 170169107 /nfs/dbraw/zinc/16/91/07/170169107.db2.gz VAERTUSTBUVEJY-JTQLQIEISA-N 1 0 248.757 3.288 50 0 BGAARO CC1(C)CC[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000087936654 362804025 /nfs/dbraw/zinc/80/40/25/362804025.db2.gz KJMPBAHJHSPOEO-STQMWFEESA-N 1 0 203.329 3.308 50 0 BGAARO CC1(C)CC[C@@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000087936655 362804110 /nfs/dbraw/zinc/80/41/10/362804110.db2.gz KJMPBAHJHSPOEO-QWHCGFSZSA-N 1 0 203.329 3.308 50 0 BGAARO CC1(C)CC[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000087936656 362803963 /nfs/dbraw/zinc/80/39/63/362803963.db2.gz KJMPBAHJHSPOEO-OLZOCXBDSA-N 1 0 203.329 3.308 50 0 BGAARO CC1(C)CC[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000087936657 362803755 /nfs/dbraw/zinc/80/37/55/362803755.db2.gz KJMPBAHJHSPOEO-CHWSQXEVSA-N 1 0 203.329 3.308 50 0 BGAARO C[C@]1(c2nc(C3CCCCCC3)no2)CCC[NH2+]1 ZINC000087945731 538570708 /nfs/dbraw/zinc/57/07/08/538570708.db2.gz MYWKGPLUOXOMAJ-CQSZACIVSA-N 1 0 249.358 3.106 50 0 BGAARO C[C@@]1(c2nc(C3CCCCCC3)no2)CCC[NH2+]1 ZINC000087945733 538570809 /nfs/dbraw/zinc/57/08/09/538570809.db2.gz MYWKGPLUOXOMAJ-AWEZNQCLSA-N 1 0 249.358 3.106 50 0 BGAARO c1ccc(CCCCC2CC[NH2+]CC2)cc1 ZINC000088243243 356636948 /nfs/dbraw/zinc/63/69/48/356636948.db2.gz WREUFUDUYWORCW-UHFFFAOYSA-N 1 0 217.356 3.399 50 0 BGAARO Cc1csc(C[N@@H+]2CC[C@H]3CCCC[C@@H]32)n1 ZINC000088590908 538575000 /nfs/dbraw/zinc/57/50/00/538575000.db2.gz GTSSGLHDBIJLLM-NEPJUHHUSA-N 1 0 236.384 3.216 50 0 BGAARO Cc1csc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000088590909 359969487 /nfs/dbraw/zinc/96/94/87/359969487.db2.gz GTSSGLHDBIJLLM-RYUDHWBXSA-N 1 0 236.384 3.216 50 0 BGAARO CC(C)[NH2+]Cc1ccccc1-c1ccccn1 ZINC000088613637 167118170 /nfs/dbraw/zinc/11/81/70/167118170.db2.gz VOSROFQTRWMDBR-UHFFFAOYSA-N 1 0 226.323 3.247 50 0 BGAARO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cncc(F)c1 ZINC000089551534 383976754 /nfs/dbraw/zinc/97/67/54/383976754.db2.gz XMOXZGMNZDVYFX-NRUUGDAUSA-N 1 0 222.307 3.060 50 0 BGAARO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cncc(F)c1 ZINC000089551535 383976428 /nfs/dbraw/zinc/97/64/28/383976428.db2.gz XMOXZGMNZDVYFX-KWBADKCTSA-N 1 0 222.307 3.060 50 0 BGAARO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cncc(F)c1 ZINC000089551536 176898400 /nfs/dbraw/zinc/89/84/00/176898400.db2.gz XMOXZGMNZDVYFX-GBIKHYSHSA-N 1 0 222.307 3.060 50 0 BGAARO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cncc(F)c1 ZINC000089551537 383976976 /nfs/dbraw/zinc/97/69/76/383976976.db2.gz XMOXZGMNZDVYFX-OUJBWJOFSA-N 1 0 222.307 3.060 50 0 BGAARO Cc1ccc(C[N@H+](C[C@@H]2CCCO2)C2CC2)cc1 ZINC000089632279 388356033 /nfs/dbraw/zinc/35/60/33/388356033.db2.gz RBXWNINWNSOCSX-INIZCTEOSA-N 1 0 245.366 3.138 50 0 BGAARO Cc1ccc(C[N@H+](C[C@H]2CCCO2)C2CC2)cc1 ZINC000089632281 388356168 /nfs/dbraw/zinc/35/61/68/388356168.db2.gz RBXWNINWNSOCSX-MRXNPFEDSA-N 1 0 245.366 3.138 50 0 BGAARO CC(C)(C)[C@@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000089642966 388357045 /nfs/dbraw/zinc/35/70/45/388357045.db2.gz HGTYDDLWCVRNHC-CQSZACIVSA-N 1 0 249.402 3.031 50 0 BGAARO CC(C)(C)[C@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000089642967 191022152 /nfs/dbraw/zinc/02/21/52/191022152.db2.gz HGTYDDLWCVRNHC-AWEZNQCLSA-N 1 0 249.402 3.031 50 0 BGAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccn1)CC2 ZINC000089657354 388358358 /nfs/dbraw/zinc/35/83/58/388358358.db2.gz CWPGXJKJCBTPOL-MRXNPFEDSA-N 1 0 238.334 3.167 50 0 BGAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccn1)CC2 ZINC000089657356 388358076 /nfs/dbraw/zinc/35/80/76/388358076.db2.gz CWPGXJKJCBTPOL-INIZCTEOSA-N 1 0 238.334 3.167 50 0 BGAARO c1cn2c(n1)[C@H](C[NH2+]C1CCCCCC1)CCC2 ZINC000089884722 360043244 /nfs/dbraw/zinc/04/32/44/360043244.db2.gz AFDLKGCPGWPUCQ-ZDUSSCGKSA-N 1 0 247.386 3.073 50 0 BGAARO c1cn2c(n1)[C@@H](C[NH2+]C1CCCCCC1)CCC2 ZINC000089884723 360043104 /nfs/dbraw/zinc/04/31/04/360043104.db2.gz AFDLKGCPGWPUCQ-CYBMUJFWSA-N 1 0 247.386 3.073 50 0 BGAARO C[C@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000089894204 388371384 /nfs/dbraw/zinc/37/13/84/388371384.db2.gz COZNSVUTUYNTBS-LBPRGKRZSA-N 1 0 215.340 3.106 50 0 BGAARO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000089894205 388371318 /nfs/dbraw/zinc/37/13/18/388371318.db2.gz COZNSVUTUYNTBS-GFCCVEGCSA-N 1 0 215.340 3.106 50 0 BGAARO CC1(C)CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000089919233 388373142 /nfs/dbraw/zinc/37/31/42/388373142.db2.gz SOJZDULOPFMDKS-UHFFFAOYSA-N 1 0 232.371 3.388 50 0 BGAARO CC1CCC([NH2+]Cc2cccc3nccn32)CC1 ZINC000089922669 168164156 /nfs/dbraw/zinc/16/41/56/168164156.db2.gz GVDRBPDSPUEBIR-UHFFFAOYSA-N 1 0 243.354 3.003 50 0 BGAARO C[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]1c1ccccc1 ZINC000089930172 176307045 /nfs/dbraw/zinc/30/70/45/176307045.db2.gz HWXBOJNGFJCKRW-CJNGLKHVSA-N 1 0 238.334 3.275 50 0 BGAARO C[C@H]1C[N@H+](Cc2ccccn2)[C@@H]1c1ccccc1 ZINC000089930173 177266614 /nfs/dbraw/zinc/26/66/14/177266614.db2.gz HWXBOJNGFJCKRW-BBRMVZONSA-N 1 0 238.334 3.275 50 0 BGAARO CCCC[C@@H](CC)CC[NH2+]C1CCC(O)CC1 ZINC000089953312 521026683 /nfs/dbraw/zinc/02/66/83/521026683.db2.gz NXCQCUCIGADVHB-WLYUNCDWSA-N 1 0 241.419 3.486 50 0 BGAARO CCCC[C@H](CC)CC[NH2+]C1CCC(O)CC1 ZINC000089953314 521168247 /nfs/dbraw/zinc/16/82/47/521168247.db2.gz NXCQCUCIGADVHB-NFOMZHRRSA-N 1 0 241.419 3.486 50 0 BGAARO CCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000089959007 169185483 /nfs/dbraw/zinc/18/54/83/169185483.db2.gz GACMEPZQSROXMM-UHFFFAOYSA-N 1 0 241.338 3.062 50 0 BGAARO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)o1 ZINC000090084775 525722251 /nfs/dbraw/zinc/72/22/51/525722251.db2.gz JDJAHZKMZVLOSX-ZYHUDNBSSA-N 1 0 239.359 3.036 50 0 BGAARO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)o1 ZINC000090084777 525918223 /nfs/dbraw/zinc/91/82/23/525918223.db2.gz JDJAHZKMZVLOSX-PWSUYJOCSA-N 1 0 239.359 3.036 50 0 BGAARO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)o1 ZINC000090084779 525722677 /nfs/dbraw/zinc/72/26/77/525722677.db2.gz JDJAHZKMZVLOSX-CMPLNLGQSA-N 1 0 239.359 3.036 50 0 BGAARO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)o1 ZINC000090084780 525917939 /nfs/dbraw/zinc/91/79/39/525917939.db2.gz JDJAHZKMZVLOSX-JQWIXIFHSA-N 1 0 239.359 3.036 50 0 BGAARO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1cnccn1 ZINC000090106296 388390243 /nfs/dbraw/zinc/39/02/43/388390243.db2.gz JSFOACWPGZYKDG-FPMFFAJLSA-N 1 0 245.370 3.096 50 0 BGAARO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)c1cnccn1 ZINC000090106302 388390785 /nfs/dbraw/zinc/39/07/85/388390785.db2.gz JSFOACWPGZYKDG-UBHSHLNASA-N 1 0 245.370 3.096 50 0 BGAARO [NH3+]Cc1cc(Br)c2ccccc2c1 ZINC000090159682 353383249 /nfs/dbraw/zinc/38/32/49/353383249.db2.gz NAJMJZHBPFJNNO-UHFFFAOYSA-N 1 0 236.112 3.061 50 0 BGAARO Clc1ccccc1[C@@H]1CC[NH2+]CCS1 ZINC000090397257 384045860 /nfs/dbraw/zinc/04/58/60/384045860.db2.gz VOQQIGDXXSJTAK-NSHDSACASA-N 1 0 227.760 3.108 50 0 BGAARO Clc1ccccc1[C@H]1CC[NH2+]CCS1 ZINC000090397258 384045822 /nfs/dbraw/zinc/04/58/22/384045822.db2.gz VOQQIGDXXSJTAK-LLVKDONJSA-N 1 0 227.760 3.108 50 0 BGAARO CN(C)Cc1ccc(Br)cc1Cl ZINC000090411255 188143861 /nfs/dbraw/zinc/14/38/61/188143861.db2.gz JLWNFCWRKLVYQT-UHFFFAOYSA-N 1 0 248.551 3.164 50 0 BGAARO c1sc(C[NH2+]C(C2CC2)C2CC2)nc1C1CC1 ZINC000090460493 384794372 /nfs/dbraw/zinc/79/43/72/384794372.db2.gz QZQHBWQSWRYWHW-UHFFFAOYSA-N 1 0 248.395 3.299 50 0 BGAARO COCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000090535559 174156625 /nfs/dbraw/zinc/15/66/25/174156625.db2.gz LDABSXYITTYPOI-OAHLLOKOSA-N 1 0 245.366 3.080 50 0 BGAARO COCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000090535563 174156651 /nfs/dbraw/zinc/15/66/51/174156651.db2.gz LDABSXYITTYPOI-HNNXBMFYSA-N 1 0 245.366 3.080 50 0 BGAARO COc1ccccc1[C@H](C)[NH2+]C[C@H](C)SC ZINC000090724908 175351472 /nfs/dbraw/zinc/35/14/72/175351472.db2.gz UJEDLHSDMKUVGC-QWRGUYRKSA-N 1 0 239.384 3.097 50 0 BGAARO COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)SC ZINC000090724909 175352290 /nfs/dbraw/zinc/35/22/90/175352290.db2.gz UJEDLHSDMKUVGC-MNOVXSKESA-N 1 0 239.384 3.097 50 0 BGAARO COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)SC ZINC000090724910 175345406 /nfs/dbraw/zinc/34/54/06/175345406.db2.gz UJEDLHSDMKUVGC-WDEREUQCSA-N 1 0 239.384 3.097 50 0 BGAARO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000090724911 175345420 /nfs/dbraw/zinc/34/54/20/175345420.db2.gz UJEDLHSDMKUVGC-GHMZBOCLSA-N 1 0 239.384 3.097 50 0 BGAARO Cc1noc(C)c1[C@@H](C)C[NH2+]C(C1CC1)C1CC1 ZINC000090764848 487998828 /nfs/dbraw/zinc/99/88/28/487998828.db2.gz GETWXTVKMMUJDG-VIFPVBQESA-N 1 0 248.370 3.173 50 0 BGAARO Cc1noc(C)c1[C@H](C)C[NH2+]C(C1CC1)C1CC1 ZINC000090764854 487998602 /nfs/dbraw/zinc/99/86/02/487998602.db2.gz GETWXTVKMMUJDG-SECBINFHSA-N 1 0 248.370 3.173 50 0 BGAARO CC[C@H]([NH2+][C@@H](C)C(C)C)c1c(C)noc1C ZINC000090887449 384987653 /nfs/dbraw/zinc/98/76/53/384987653.db2.gz XQISHWHNKDEIAK-CABZTGNLSA-N 1 0 224.348 3.377 50 0 BGAARO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1c(C)noc1C ZINC000090887450 343698235 /nfs/dbraw/zinc/69/82/35/343698235.db2.gz XQISHWHNKDEIAK-JOYOIKCWSA-N 1 0 224.348 3.377 50 0 BGAARO CC[C@H]([NH2+][C@H](C)C(C)C)c1c(C)noc1C ZINC000090887451 384989796 /nfs/dbraw/zinc/98/97/96/384989796.db2.gz XQISHWHNKDEIAK-SKDRFNHKSA-N 1 0 224.348 3.377 50 0 BGAARO CC[C@@H]([NH2+][C@H](C)C(C)C)c1c(C)noc1C ZINC000090887452 170911487 /nfs/dbraw/zinc/91/14/87/170911487.db2.gz XQISHWHNKDEIAK-BXKDBHETSA-N 1 0 224.348 3.377 50 0 BGAARO CC1(C)C[NH2+]Cc2cccc(C(F)(F)F)c21 ZINC000091365930 369398870 /nfs/dbraw/zinc/39/88/70/369398870.db2.gz RTHNUKYUDBEWMM-UHFFFAOYSA-N 1 0 229.245 3.086 50 0 BGAARO CC1(C)C[NH2+]Cc2ccc(C(F)(F)F)cc21 ZINC000091365931 369399609 /nfs/dbraw/zinc/39/96/09/369399609.db2.gz PEDVBPMLBDPWPQ-UHFFFAOYSA-N 1 0 229.245 3.086 50 0 BGAARO CC1(C)C[NH2+]Cc2cc(C(F)(F)F)ccc21 ZINC000091365932 369399260 /nfs/dbraw/zinc/39/92/60/369399260.db2.gz ZLWWKPCEMKDCPQ-UHFFFAOYSA-N 1 0 229.245 3.086 50 0 BGAARO CC1(C)C[NH2+]Cc2c(C(F)(F)F)cccc21 ZINC000091365933 369398972 /nfs/dbraw/zinc/39/89/72/369398972.db2.gz ADVQKHHDRNBNEM-UHFFFAOYSA-N 1 0 229.245 3.086 50 0 BGAARO Cc1ccccc1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000091532471 179245809 /nfs/dbraw/zinc/24/58/09/179245809.db2.gz VFMOCKFDCQGVIR-UHFFFAOYSA-N 1 0 231.339 3.052 50 0 BGAARO Cc1cccc(C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000091532519 388635227 /nfs/dbraw/zinc/63/52/27/388635227.db2.gz DCRMJDUVZBCPRE-UHFFFAOYSA-N 1 0 231.339 3.052 50 0 BGAARO C[NH+](C)C1(C(=O)c2ccccc2)CCCCC1 ZINC000091646523 398297148 /nfs/dbraw/zinc/29/71/48/398297148.db2.gz KQGDDRHAXWVOML-UHFFFAOYSA-N 1 0 231.339 3.134 50 0 BGAARO CC(C)=CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091701955 383939192 /nfs/dbraw/zinc/93/91/92/383939192.db2.gz MHEXDFFBRARSGH-LBPRGKRZSA-N 1 0 204.317 3.041 50 0 BGAARO CC(C)=CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091701956 383938767 /nfs/dbraw/zinc/93/87/67/383938767.db2.gz MHEXDFFBRARSGH-GFCCVEGCSA-N 1 0 204.317 3.041 50 0 BGAARO CC(C)=CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091986571 187286921 /nfs/dbraw/zinc/28/69/21/187286921.db2.gz JBUZPNVIPZGTRJ-LBPRGKRZSA-N 1 0 204.317 3.041 50 0 BGAARO CC(C)=CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000091986572 384070738 /nfs/dbraw/zinc/07/07/38/384070738.db2.gz JBUZPNVIPZGTRJ-GFCCVEGCSA-N 1 0 204.317 3.041 50 0 BGAARO CC[C@@H](c1ccncc1)[N@H+](C)CC1CCC1 ZINC000092225202 384315032 /nfs/dbraw/zinc/31/50/32/384315032.db2.gz LUGLKODRZURHGY-AWEZNQCLSA-N 1 0 218.344 3.265 50 0 BGAARO CC[C@H](c1ccncc1)[N@H+](C)CC1CCC1 ZINC000092225203 384314884 /nfs/dbraw/zinc/31/48/84/384314884.db2.gz LUGLKODRZURHGY-CQSZACIVSA-N 1 0 218.344 3.265 50 0 BGAARO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccccn1 ZINC000092225235 384314824 /nfs/dbraw/zinc/31/48/24/384314824.db2.gz YLWOSEFEZHJJPX-HNNXBMFYSA-N 1 0 241.338 3.060 50 0 BGAARO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccccn1 ZINC000092225236 384314665 /nfs/dbraw/zinc/31/46/65/384314665.db2.gz YLWOSEFEZHJJPX-OAHLLOKOSA-N 1 0 241.338 3.060 50 0 BGAARO CCC(C)(C)[N@H+](C)Cc1cccnc1C ZINC000093279599 168286027 /nfs/dbraw/zinc/28/60/27/168286027.db2.gz HNWHNOLECHBDAS-UHFFFAOYSA-N 1 0 206.333 3.010 50 0 BGAARO Cc1ncccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000093336675 360232357 /nfs/dbraw/zinc/23/23/57/360232357.db2.gz MSDTUCJTPRBHSH-UHFFFAOYSA-N 1 0 230.355 3.156 50 0 BGAARO COC1CCC([N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000093414857 174020867 /nfs/dbraw/zinc/02/08/67/174020867.db2.gz KQZLSWANWOYMSE-NFOMZHRRSA-N 1 0 237.387 3.232 50 0 BGAARO COC1CCC([N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000093414858 174021924 /nfs/dbraw/zinc/02/19/24/174021924.db2.gz KQZLSWANWOYMSE-WLYUNCDWSA-N 1 0 237.387 3.232 50 0 BGAARO COC1CCC([N@H+](C)Cc2cccs2)CC1 ZINC000093414909 174021511 /nfs/dbraw/zinc/02/15/11/174021511.db2.gz LRUYROYGRJFQME-UHFFFAOYSA-N 1 0 239.384 3.138 50 0 BGAARO c1nc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cs1 ZINC000093480657 538599509 /nfs/dbraw/zinc/59/95/09/538599509.db2.gz WCILOTBEQWGHHL-DGCLKSJQSA-N 1 0 236.384 3.298 50 0 BGAARO CCn1ccnc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000093480709 172220371 /nfs/dbraw/zinc/22/03/71/172220371.db2.gz AYNMZTFSKTWJBG-ZIAGYGMSSA-N 1 0 247.386 3.058 50 0 BGAARO CC(C)[N@H+](C[C@H]1CC=CCC1)C1CCOCC1 ZINC000093604720 188310581 /nfs/dbraw/zinc/31/05/81/188310581.db2.gz KUTLIAFVXWRAQR-AWEZNQCLSA-N 1 0 237.387 3.232 50 0 BGAARO CC(C)[N@H+](C[C@@H]1CC=CCC1)C1CCOCC1 ZINC000093604721 388745613 /nfs/dbraw/zinc/74/56/13/388745613.db2.gz KUTLIAFVXWRAQR-CQSZACIVSA-N 1 0 237.387 3.232 50 0 BGAARO CC(C)[N@@H+](Cc1cncs1)C[C@H]1C[C@@H]1C ZINC000093661501 191041014 /nfs/dbraw/zinc/04/10/14/191041014.db2.gz XSIJMNMBWZYJBE-WDEREUQCSA-N 1 0 224.373 3.010 50 0 BGAARO CC(C)[N@@H+](Cc1cncs1)C[C@@H]1C[C@H]1C ZINC000093661502 191040937 /nfs/dbraw/zinc/04/09/37/191040937.db2.gz XSIJMNMBWZYJBE-MNOVXSKESA-N 1 0 224.373 3.010 50 0 BGAARO CCSC[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000093739573 386565783 /nfs/dbraw/zinc/56/57/83/386565783.db2.gz GPLKVMNNYCOHEN-SECBINFHSA-N 1 0 244.429 3.025 50 0 BGAARO CCSC[C@H](C)[N@H+](C)Cc1scnc1C ZINC000093739574 386566775 /nfs/dbraw/zinc/56/67/75/386566775.db2.gz GPLKVMNNYCOHEN-VIFPVBQESA-N 1 0 244.429 3.025 50 0 BGAARO C/C(=C\c1ccccc1)C[N@H+](C)C[C@@H]1CCOC1 ZINC000093840059 384799511 /nfs/dbraw/zinc/79/95/11/384799511.db2.gz AKNPMGKYSANERY-DKGMDFAASA-N 1 0 245.366 3.058 50 0 BGAARO C/C(=C\c1ccccc1)C[N@H+](C)C[C@H]1CCOC1 ZINC000093840060 384800106 /nfs/dbraw/zinc/80/01/06/384800106.db2.gz AKNPMGKYSANERY-HFQYIWAZSA-N 1 0 245.366 3.058 50 0 BGAARO C[C@]1(CNc2cc[nH+]c3ccccc23)CCCO1 ZINC000094804893 360319679 /nfs/dbraw/zinc/31/96/79/360319679.db2.gz LVKYPRLHBVJKDP-OAHLLOKOSA-N 1 0 242.322 3.216 50 0 BGAARO C[C@@]1(CNc2cc[nH+]c3ccccc23)CCCO1 ZINC000094804894 360319571 /nfs/dbraw/zinc/31/95/71/360319571.db2.gz LVKYPRLHBVJKDP-HNNXBMFYSA-N 1 0 242.322 3.216 50 0 BGAARO CC(C)([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000094986174 188363586 /nfs/dbraw/zinc/36/35/86/188363586.db2.gz AEBUCFMCHATFKA-UHFFFAOYSA-N 1 0 241.334 3.459 50 0 BGAARO Fc1ccc(CC[NH2+]Cc2ccccc2)cc1F ZINC000095050660 384432916 /nfs/dbraw/zinc/43/29/16/384432916.db2.gz QAEPWIFZMHCVGQ-UHFFFAOYSA-N 1 0 247.288 3.297 50 0 BGAARO C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000095351464 388764063 /nfs/dbraw/zinc/76/40/63/388764063.db2.gz RKQRSFQOPXPOEC-UHFFFAOYSA-N 1 0 203.329 3.451 50 0 BGAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)CC2 ZINC000095389621 384372031 /nfs/dbraw/zinc/37/20/31/384372031.db2.gz FIQRJKUEFTZIMJ-OAHLLOKOSA-N 1 0 227.307 3.365 50 0 BGAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000095389622 178951829 /nfs/dbraw/zinc/95/18/29/178951829.db2.gz FIQRJKUEFTZIMJ-HNNXBMFYSA-N 1 0 227.307 3.365 50 0 BGAARO CC(C)([NH2+]C1CCSCC1)c1ccccc1 ZINC000095392987 538028728 /nfs/dbraw/zinc/02/87/28/538028728.db2.gz YQTOZNZTRXBKFE-UHFFFAOYSA-N 1 0 235.396 3.407 50 0 BGAARO COCCCC[N@H+](C)[C@H](C)c1ccc(C)s1 ZINC000095398351 174187729 /nfs/dbraw/zinc/18/77/29/174187729.db2.gz AHYCONAUFSZQHI-GFCCVEGCSA-N 1 0 241.400 3.476 50 0 BGAARO COCCCC[N@H+](C)[C@@H](C)c1ccc(C)s1 ZINC000095398352 174189007 /nfs/dbraw/zinc/18/90/07/174189007.db2.gz AHYCONAUFSZQHI-LBPRGKRZSA-N 1 0 241.400 3.476 50 0 BGAARO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000095401517 384374288 /nfs/dbraw/zinc/37/42/88/384374288.db2.gz WSCVMFXMCOGREX-ZDUSSCGKSA-N 1 0 218.344 3.092 50 0 BGAARO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000095401518 187287911 /nfs/dbraw/zinc/28/79/11/187287911.db2.gz WSCVMFXMCOGREX-CYBMUJFWSA-N 1 0 218.344 3.092 50 0 BGAARO Cc1csc([C@H]([NH2+][C@@H](C)C2CC2)C2CC2)n1 ZINC000095407539 388768025 /nfs/dbraw/zinc/76/80/25/388768025.db2.gz AGEYSUWATDTNDA-JOYOIKCWSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1csc([C@@H]([NH2+][C@@H](C)C2CC2)C2CC2)n1 ZINC000095407540 388767607 /nfs/dbraw/zinc/76/76/07/388767607.db2.gz AGEYSUWATDTNDA-CABZTGNLSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1csc([C@H]([NH2+][C@H](C)C2CC2)C2CC2)n1 ZINC000095407541 388767767 /nfs/dbraw/zinc/76/77/67/388767767.db2.gz AGEYSUWATDTNDA-BXKDBHETSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1csc([C@@H]([NH2+][C@H](C)C2CC2)C2CC2)n1 ZINC000095407542 179795271 /nfs/dbraw/zinc/79/52/71/179795271.db2.gz AGEYSUWATDTNDA-SKDRFNHKSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1cnc([C@H]([NH2+][C@@H](C)C2CC2)C2CC2)s1 ZINC000095407543 388767724 /nfs/dbraw/zinc/76/77/24/388767724.db2.gz CHIGGMWUMNGJJY-JOYOIKCWSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1cnc([C@@H]([NH2+][C@@H](C)C2CC2)C2CC2)s1 ZINC000095407544 388766075 /nfs/dbraw/zinc/76/60/75/388766075.db2.gz CHIGGMWUMNGJJY-CABZTGNLSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1cnc([C@H]([NH2+][C@H](C)C2CC2)C2CC2)s1 ZINC000095407545 388765668 /nfs/dbraw/zinc/76/56/68/388765668.db2.gz CHIGGMWUMNGJJY-BXKDBHETSA-N 1 0 236.384 3.291 50 0 BGAARO Cc1cnc([C@@H]([NH2+][C@H](C)C2CC2)C2CC2)s1 ZINC000095407546 388766030 /nfs/dbraw/zinc/76/60/30/388766030.db2.gz CHIGGMWUMNGJJY-SKDRFNHKSA-N 1 0 236.384 3.291 50 0 BGAARO CC[NH+](CC)CCSCc1nc(C)cs1 ZINC000095418415 388767533 /nfs/dbraw/zinc/76/75/33/388767533.db2.gz HXEVUDGGAWAICL-UHFFFAOYSA-N 1 0 244.429 3.027 50 0 BGAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000095420219 176910383 /nfs/dbraw/zinc/91/03/83/176910383.db2.gz OPWFBCCYPNIVJA-WOPDTQHZSA-N 1 0 245.432 3.064 50 0 BGAARO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000095420221 388769156 /nfs/dbraw/zinc/76/91/56/388769156.db2.gz OPWFBCCYPNIVJA-UTUOFQBUSA-N 1 0 245.432 3.064 50 0 BGAARO CCCC[C@@H](CCC)[NH2+]C1CCOCC1 ZINC000095420562 358120870 /nfs/dbraw/zinc/12/08/70/358120870.db2.gz HQWJZDQUVPPSPC-GFCCVEGCSA-N 1 0 213.365 3.114 50 0 BGAARO CCCC[C@H](CCC)[NH2+]C1CCOCC1 ZINC000095420563 169001545 /nfs/dbraw/zinc/00/15/45/169001545.db2.gz HQWJZDQUVPPSPC-LBPRGKRZSA-N 1 0 213.365 3.114 50 0 BGAARO CC(C)COCC[NH2+][C@@H](C)c1ccsc1 ZINC000095421092 535176936 /nfs/dbraw/zinc/17/69/36/535176936.db2.gz AATUURQXVBFGFI-NSHDSACASA-N 1 0 227.373 3.071 50 0 BGAARO CC(C)COCC[NH2+][C@H](C)c1ccsc1 ZINC000095421093 371282013 /nfs/dbraw/zinc/28/20/13/371282013.db2.gz AATUURQXVBFGFI-LLVKDONJSA-N 1 0 227.373 3.071 50 0 BGAARO c1ccc([C@H]([NH2+]C2CCOCC2)C2CCC2)cc1 ZINC000095421814 384902246 /nfs/dbraw/zinc/90/22/46/384902246.db2.gz RAJRPQUUQKYXOP-INIZCTEOSA-N 1 0 245.366 3.296 50 0 BGAARO c1ccc([C@@H]([NH2+]C2CCOCC2)C2CCC2)cc1 ZINC000095421815 384902273 /nfs/dbraw/zinc/90/22/73/384902273.db2.gz RAJRPQUUQKYXOP-MRXNPFEDSA-N 1 0 245.366 3.296 50 0 BGAARO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000095422211 388769653 /nfs/dbraw/zinc/76/96/53/388769653.db2.gz QPQPDUWDJCBJBP-GJZGRUSLSA-N 1 0 238.419 3.053 50 0 BGAARO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000095422213 388769836 /nfs/dbraw/zinc/76/98/36/388769836.db2.gz QPQPDUWDJCBJBP-LSDHHAIUSA-N 1 0 238.419 3.053 50 0 BGAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000095422214 388770153 /nfs/dbraw/zinc/77/01/53/388770153.db2.gz QPQPDUWDJCBJBP-HUUCEWRRSA-N 1 0 238.419 3.053 50 0 BGAARO CCc1nc2c(s1)[C@H]([NH2+]C1CC=CC1)CCC2 ZINC000095423759 538602958 /nfs/dbraw/zinc/60/29/58/538602958.db2.gz MWDUMYUWOQQWTQ-LLVKDONJSA-N 1 0 248.395 3.391 50 0 BGAARO CCc1nc2c(s1)[C@@H]([NH2+]C1CC=CC1)CCC2 ZINC000095423760 538603702 /nfs/dbraw/zinc/60/37/02/538603702.db2.gz MWDUMYUWOQQWTQ-NSHDSACASA-N 1 0 248.395 3.391 50 0 BGAARO Cc1nc2c(s1)[C@H]([NH2+]C1CC=CC1)CCC2 ZINC000095423762 538601811 /nfs/dbraw/zinc/60/18/11/538601811.db2.gz DFYUMXYXMCLJCL-GFCCVEGCSA-N 1 0 234.368 3.137 50 0 BGAARO Cc1nc2c(s1)[C@@H]([NH2+]C1CC=CC1)CCC2 ZINC000095423763 538602921 /nfs/dbraw/zinc/60/29/21/538602921.db2.gz DFYUMXYXMCLJCL-LBPRGKRZSA-N 1 0 234.368 3.137 50 0 BGAARO C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H](C)O1 ZINC000095430492 177246271 /nfs/dbraw/zinc/24/62/71/177246271.db2.gz VBQHFDOBOVZFSJ-BETUJISGSA-N 1 0 225.376 3.066 50 0 BGAARO C[C@H]1C[NH+](CC2CCCCCC2)C[C@H](C)O1 ZINC000095430493 177247064 /nfs/dbraw/zinc/24/70/64/177247064.db2.gz VBQHFDOBOVZFSJ-STQMWFEESA-N 1 0 225.376 3.066 50 0 BGAARO C[C@@H]1C[NH+](CC2CCCCCC2)C[C@@H](C)O1 ZINC000095430494 176286817 /nfs/dbraw/zinc/28/68/17/176286817.db2.gz VBQHFDOBOVZFSJ-CHWSQXEVSA-N 1 0 225.376 3.066 50 0 BGAARO Cc1nccn1CCCC[NH2+]CC1CCCCC1 ZINC000095434044 180236403 /nfs/dbraw/zinc/23/64/03/180236403.db2.gz JHPJMINHABBTAN-UHFFFAOYSA-N 1 0 249.402 3.142 50 0 BGAARO CCCC[C@@H](CC)CC[NH2+]CCn1cccn1 ZINC000095445324 371285811 /nfs/dbraw/zinc/28/58/11/371285811.db2.gz VTTYMFZQRBNADH-CQSZACIVSA-N 1 0 237.391 3.079 50 0 BGAARO CCCC[C@H](CC)CC[NH2+]CCn1cccn1 ZINC000095445325 371285741 /nfs/dbraw/zinc/28/57/41/371285741.db2.gz VTTYMFZQRBNADH-AWEZNQCLSA-N 1 0 237.391 3.079 50 0 BGAARO CCCC[N@H+](CC)Cc1ccc2c(c1)COC2 ZINC000095453846 491103832 /nfs/dbraw/zinc/10/38/32/491103832.db2.gz RSIVUTDCGBVMLQ-UHFFFAOYSA-N 1 0 233.355 3.339 50 0 BGAARO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000095454558 386990548 /nfs/dbraw/zinc/99/05/48/386990548.db2.gz IASYHQUOWUOGQX-QJPTWQEYSA-N 1 0 245.457 3.146 50 0 BGAARO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000095454560 259453695 /nfs/dbraw/zinc/45/36/95/259453695.db2.gz IASYHQUOWUOGQX-IJLUTSLNSA-N 1 0 245.457 3.146 50 0 BGAARO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000095457048 187287950 /nfs/dbraw/zinc/28/79/50/187287950.db2.gz QULADYCSDKLJHU-OLZOCXBDSA-N 1 0 235.375 3.024 50 0 BGAARO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000095457049 398316448 /nfs/dbraw/zinc/31/64/48/398316448.db2.gz QULADYCSDKLJHU-STQMWFEESA-N 1 0 235.375 3.024 50 0 BGAARO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCSC ZINC000095459141 171053718 /nfs/dbraw/zinc/05/37/18/171053718.db2.gz FOGPBEYFWNSZIJ-WDEREUQCSA-N 1 0 201.379 3.002 50 0 BGAARO CC[C@H]1CC[C@H](C)[N@@H+]1CCCSC ZINC000095459142 388774509 /nfs/dbraw/zinc/77/45/09/388774509.db2.gz FOGPBEYFWNSZIJ-QWRGUYRKSA-N 1 0 201.379 3.002 50 0 BGAARO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCSC ZINC000095459143 171038295 /nfs/dbraw/zinc/03/82/95/171038295.db2.gz FOGPBEYFWNSZIJ-GHMZBOCLSA-N 1 0 201.379 3.002 50 0 BGAARO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCSC ZINC000095459144 388775072 /nfs/dbraw/zinc/77/50/72/388775072.db2.gz FOGPBEYFWNSZIJ-MNOVXSKESA-N 1 0 201.379 3.002 50 0 BGAARO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(C)C)C(C)C ZINC000095459383 388774530 /nfs/dbraw/zinc/77/45/30/388774530.db2.gz VQLLEBNVZMWBJS-LSDHHAIUSA-N 1 0 240.435 3.274 50 0 BGAARO CC[C@H]([NH2+]C[C@H]1CCCCN1C(C)C)C(C)C ZINC000095459384 388775396 /nfs/dbraw/zinc/77/53/96/388775396.db2.gz VQLLEBNVZMWBJS-CABCVRRESA-N 1 0 240.435 3.274 50 0 BGAARO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(C)C)C(C)C ZINC000095459385 388774491 /nfs/dbraw/zinc/77/44/91/388774491.db2.gz VQLLEBNVZMWBJS-HUUCEWRRSA-N 1 0 240.435 3.274 50 0 BGAARO Cc1nnc(C[NH2+]C2CCCCCCC2)s1 ZINC000095468520 538606154 /nfs/dbraw/zinc/60/61/54/538606154.db2.gz PFPMJRKHSRNPFI-UHFFFAOYSA-N 1 0 239.388 3.049 50 0 BGAARO C(=C\[C@@H]1CCCCC[NH2+]1)\c1ccccc1 ZINC000095627309 166228338 /nfs/dbraw/zinc/22/83/38/166228338.db2.gz DGEGHBUXYDGKJU-BMSUMIBZSA-N 1 0 201.313 3.232 50 0 BGAARO C(=C\[C@H]1CCCCC[NH2+]1)\c1ccccc1 ZINC000095627310 166228451 /nfs/dbraw/zinc/22/84/51/166228451.db2.gz DGEGHBUXYDGKJU-IWMPZKFUSA-N 1 0 201.313 3.232 50 0 BGAARO C[NH2+][C@@H](COc1cc(C)ccc1Cl)C1CC1 ZINC000095627551 384383490 /nfs/dbraw/zinc/38/34/90/384383490.db2.gz SEYJUTCWTVEJBD-LBPRGKRZSA-N 1 0 239.746 3.025 50 0 BGAARO C[NH2+][C@H](COc1cc(C)ccc1Cl)C1CC1 ZINC000095627552 384382922 /nfs/dbraw/zinc/38/29/22/384382922.db2.gz SEYJUTCWTVEJBD-GFCCVEGCSA-N 1 0 239.746 3.025 50 0 BGAARO [NH3+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000095658840 384386947 /nfs/dbraw/zinc/38/69/47/384386947.db2.gz SWGWGQCLNDAYFF-SNVBAGLBSA-N 1 0 216.111 3.403 50 0 BGAARO C[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000095666557 387852536 /nfs/dbraw/zinc/85/25/36/387852536.db2.gz LNAPOOBGPIVJHX-ZCFIWIBFSA-N 1 0 221.247 3.318 50 0 BGAARO C[C@@H]([NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000095666682 371319254 /nfs/dbraw/zinc/31/92/54/371319254.db2.gz VRJFJMHXALWFOQ-RXMQYKEDSA-N 1 0 223.625 3.379 50 0 BGAARO C[C@@H]([NH3+])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000095668636 388510075 /nfs/dbraw/zinc/51/00/75/388510075.db2.gz FRTKYTPNAHAITD-RXMQYKEDSA-N 1 0 223.625 3.379 50 0 BGAARO [NH3+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000095672059 384387927 /nfs/dbraw/zinc/38/79/27/384387927.db2.gz SWGWGQCLNDAYFF-JTQLQIEISA-N 1 0 216.111 3.403 50 0 BGAARO C[C@H]([NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000095683505 346857641 /nfs/dbraw/zinc/85/76/41/346857641.db2.gz VRJFJMHXALWFOQ-YFKPBYRVSA-N 1 0 223.625 3.379 50 0 BGAARO C#[N+]c1ccc(C(=O)c2ccccc2)cc1 ZINC000095698053 183317299 /nfs/dbraw/zinc/31/72/99/183317299.db2.gz ZCMYAXFQPGJROP-UHFFFAOYSA-N 1 0 207.232 3.468 50 0 BGAARO C#[N+]c1ccc(Br)cc1F ZINC000095698347 183317034 /nfs/dbraw/zinc/31/70/34/183317034.db2.gz MCRVKJCZLULQNJ-UHFFFAOYSA-N 1 0 200.010 3.139 50 0 BGAARO O=Cc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC000095726793 368382341 /nfs/dbraw/zinc/38/23/41/368382341.db2.gz WGXRXXWXLXWGFP-UHFFFAOYSA-N 1 0 237.302 3.015 50 0 BGAARO O=C1CCC2(CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000095743055 384393691 /nfs/dbraw/zinc/39/36/91/384393691.db2.gz NJPLBRDLSYTQEV-UHFFFAOYSA-N 1 0 243.350 3.164 50 0 BGAARO Clc1cccc(Cl)c1SC1C[NH2+]C1 ZINC000095908581 384408130 /nfs/dbraw/zinc/40/81/30/384408130.db2.gz XWUBWVBDIYIUIU-UHFFFAOYSA-N 1 0 234.151 3.057 50 0 BGAARO Fc1ccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908592 384407313 /nfs/dbraw/zinc/40/73/13/384407313.db2.gz RRYKTWJBQQJGOU-QYJAPNMZSA-N 1 0 237.343 3.201 50 0 BGAARO Cc1ccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908595 187289019 /nfs/dbraw/zinc/28/90/19/187289019.db2.gz WDSUUUUMZRHUDJ-ONXXMXGDSA-N 1 0 233.380 3.370 50 0 BGAARO COc1ccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908612 384407175 /nfs/dbraw/zinc/40/71/75/384407175.db2.gz PXAQAWOBYPSWSY-BVUQATHDSA-N 1 0 249.379 3.070 50 0 BGAARO COc1ccccc1SC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908615 175343836 /nfs/dbraw/zinc/34/38/36/175343836.db2.gz DKZKZNLZENBXCG-FOSCPWQOSA-N 1 0 249.379 3.070 50 0 BGAARO Fc1ccc(SCCC2CC[NH2+]CC2)cc1 ZINC000095908635 384407889 /nfs/dbraw/zinc/40/78/89/384407889.db2.gz CQDONNQNAIZIQW-UHFFFAOYSA-N 1 0 239.359 3.308 50 0 BGAARO c1ccc(CSCCC2CC[NH2+]CC2)cc1 ZINC000095908636 384408254 /nfs/dbraw/zinc/40/82/54/384408254.db2.gz VOQVPCNXTSHVTQ-UHFFFAOYSA-N 1 0 235.396 3.310 50 0 BGAARO Cc1ccc(SCCC2CC[NH2+]CC2)cc1 ZINC000095908638 384408329 /nfs/dbraw/zinc/40/83/29/384408329.db2.gz MVAYXDFWIOJDJA-UHFFFAOYSA-N 1 0 235.396 3.477 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1C ZINC000095940729 176143866 /nfs/dbraw/zinc/14/38/66/176143866.db2.gz BKFITVRKDCKJJD-MQYQWHSLSA-N 1 0 241.419 3.198 50 0 BGAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000095941187 176080633 /nfs/dbraw/zinc/08/06/33/176080633.db2.gz IXCOQVHYRMVDCW-PWSUYJOCSA-N 1 0 238.762 3.403 50 0 BGAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000095941188 177083247 /nfs/dbraw/zinc/08/32/47/177083247.db2.gz IXCOQVHYRMVDCW-JQWIXIFHSA-N 1 0 238.762 3.403 50 0 BGAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000095941189 176088193 /nfs/dbraw/zinc/08/81/93/176088193.db2.gz IXCOQVHYRMVDCW-ZYHUDNBSSA-N 1 0 238.762 3.403 50 0 BGAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000095941190 177088690 /nfs/dbraw/zinc/08/86/90/177088690.db2.gz IXCOQVHYRMVDCW-CMPLNLGQSA-N 1 0 238.762 3.403 50 0 BGAARO CC(C)Oc1ccc2[nH]cc(C[NH+](C)C)c2c1 ZINC000095942458 167303183 /nfs/dbraw/zinc/30/31/83/167303183.db2.gz SUTDBJHWAOYRRK-UHFFFAOYSA-N 1 0 232.327 3.017 50 0 BGAARO CS[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000095945425 388791379 /nfs/dbraw/zinc/79/13/79/388791379.db2.gz HWBBOBWERBUXDG-QONHTCSSSA-N 1 0 249.370 3.294 50 0 BGAARO CS[C@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000095945426 175568140 /nfs/dbraw/zinc/56/81/40/175568140.db2.gz HWBBOBWERBUXDG-YIYTYNFBSA-N 1 0 249.370 3.294 50 0 BGAARO CS[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000095945427 175548359 /nfs/dbraw/zinc/54/83/59/175548359.db2.gz HWBBOBWERBUXDG-VGRIYTJTSA-N 1 0 249.370 3.294 50 0 BGAARO CS[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000095945428 388792353 /nfs/dbraw/zinc/79/23/53/388792353.db2.gz HWBBOBWERBUXDG-DJRKXVOMSA-N 1 0 249.370 3.294 50 0 BGAARO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000095948143 171831541 /nfs/dbraw/zinc/83/15/41/171831541.db2.gz CBJNUUWSQAXNGT-IUODEOHRSA-N 1 0 233.355 3.079 50 0 BGAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000095948144 385757205 /nfs/dbraw/zinc/75/72/05/385757205.db2.gz CBJNUUWSQAXNGT-SWLSCSKDSA-N 1 0 233.355 3.079 50 0 BGAARO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000095948145 171832111 /nfs/dbraw/zinc/83/21/11/171832111.db2.gz CBJNUUWSQAXNGT-DOMZBBRYSA-N 1 0 233.355 3.079 50 0 BGAARO CCc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000095948146 385757652 /nfs/dbraw/zinc/75/76/52/385757652.db2.gz CBJNUUWSQAXNGT-WFASDCNBSA-N 1 0 233.355 3.079 50 0 BGAARO CC(C)[C@@H](C)[N@H+](C)CCOc1ccccc1 ZINC000095949096 167368026 /nfs/dbraw/zinc/36/80/26/167368026.db2.gz XSUZVMQCLZDWKZ-CYBMUJFWSA-N 1 0 221.344 3.042 50 0 BGAARO CC(C)[C@H](C)[N@H+](C)CCOc1ccccc1 ZINC000095949097 411293238 /nfs/dbraw/zinc/29/32/38/411293238.db2.gz XSUZVMQCLZDWKZ-ZDUSSCGKSA-N 1 0 221.344 3.042 50 0 BGAARO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000095949098 179167308 /nfs/dbraw/zinc/16/73/08/179167308.db2.gz ZKZCVRPTWLZSPM-AWEZNQCLSA-N 1 0 235.371 3.350 50 0 BGAARO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000095949099 179166215 /nfs/dbraw/zinc/16/62/15/179166215.db2.gz ZKZCVRPTWLZSPM-CQSZACIVSA-N 1 0 235.371 3.350 50 0 BGAARO CC(C)C[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000095962815 188321317 /nfs/dbraw/zinc/32/13/17/188321317.db2.gz AEBUAOATWWGIDW-NSHDSACASA-N 1 0 224.373 3.011 50 0 BGAARO CC(C)C[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000095962816 388796003 /nfs/dbraw/zinc/79/60/03/388796003.db2.gz AEBUAOATWWGIDW-LLVKDONJSA-N 1 0 224.373 3.011 50 0 BGAARO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)no1 ZINC000095967442 178032818 /nfs/dbraw/zinc/03/28/18/178032818.db2.gz RLXISFQDILXEQX-ZIAGYGMSSA-N 1 0 236.359 3.287 50 0 BGAARO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)no1 ZINC000095967443 178040552 /nfs/dbraw/zinc/04/05/52/178040552.db2.gz RLXISFQDILXEQX-KGLIPLIRSA-N 1 0 236.359 3.287 50 0 BGAARO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)no1 ZINC000095967444 178033897 /nfs/dbraw/zinc/03/38/97/178033897.db2.gz RLXISFQDILXEQX-UONOGXRCSA-N 1 0 236.359 3.287 50 0 BGAARO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)no1 ZINC000095967445 178039647 /nfs/dbraw/zinc/03/96/47/178039647.db2.gz RLXISFQDILXEQX-KBPBESRZSA-N 1 0 236.359 3.287 50 0 BGAARO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cscn1 ZINC000095967548 388795959 /nfs/dbraw/zinc/79/59/59/388795959.db2.gz NXOYOQJSAQPMEV-VIFPVBQESA-N 1 0 244.429 3.153 50 0 BGAARO C[C@H](CSC(C)(C)C)[NH2+]Cc1cscn1 ZINC000095967549 388796271 /nfs/dbraw/zinc/79/62/71/388796271.db2.gz NXOYOQJSAQPMEV-SECBINFHSA-N 1 0 244.429 3.153 50 0 BGAARO Cc1ccccc1[C@H]([NH2+]C1CCOCC1)C1CC1 ZINC000095967947 179343989 /nfs/dbraw/zinc/34/39/89/179343989.db2.gz YLIQDDDAAZNWOD-MRXNPFEDSA-N 1 0 245.366 3.215 50 0 BGAARO Cc1ccccc1[C@@H]([NH2+]C1CCOCC1)C1CC1 ZINC000095967948 179326643 /nfs/dbraw/zinc/32/66/43/179326643.db2.gz YLIQDDDAAZNWOD-INIZCTEOSA-N 1 0 245.366 3.215 50 0 BGAARO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000095968413 187801679 /nfs/dbraw/zinc/80/16/79/187801679.db2.gz WZBZMNIANWFIPJ-ZNMIVQPWSA-N 1 0 239.403 3.262 50 0 BGAARO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000095968415 188321636 /nfs/dbraw/zinc/32/16/36/188321636.db2.gz WZBZMNIANWFIPJ-KKUMJFAQSA-N 1 0 239.403 3.262 50 0 BGAARO C[C@@H](CCc1cccn1C)[NH2+]C1CCCCC1 ZINC000095968617 388795130 /nfs/dbraw/zinc/79/51/30/388795130.db2.gz HYOWFTFSQLADIZ-ZDUSSCGKSA-N 1 0 234.387 3.269 50 0 BGAARO C[C@H](CCc1cccn1C)[NH2+]C1CCCCC1 ZINC000095968618 388796206 /nfs/dbraw/zinc/79/62/06/388796206.db2.gz HYOWFTFSQLADIZ-CYBMUJFWSA-N 1 0 234.387 3.269 50 0 BGAARO c1ccc([C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000095975872 388797194 /nfs/dbraw/zinc/79/71/94/388797194.db2.gz NTDFGFPSZBYBBL-CQSZACIVSA-N 1 0 215.340 3.419 50 0 BGAARO c1ccc([C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000095975873 388797504 /nfs/dbraw/zinc/79/75/04/388797504.db2.gz NTDFGFPSZBYBBL-AWEZNQCLSA-N 1 0 215.340 3.419 50 0 BGAARO CC1CCC(C[N@@H+]2CCCC[C@@H]2CCO)CC1 ZINC000095982282 168154028 /nfs/dbraw/zinc/15/40/28/168154028.db2.gz BFBJTFTXAVZXHJ-YMAMQOFZSA-N 1 0 239.403 3.050 50 0 BGAARO CC1CCC(C[N@@H+]2CCCC[C@H]2CCO)CC1 ZINC000095982283 168153199 /nfs/dbraw/zinc/15/31/99/168153199.db2.gz BFBJTFTXAVZXHJ-NRXISQOPSA-N 1 0 239.403 3.050 50 0 BGAARO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000095983925 345687064 /nfs/dbraw/zinc/68/70/64/345687064.db2.gz ALKVFKZRZIDKHF-CQSZACIVSA-N 1 0 241.338 3.055 50 0 BGAARO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000095983926 345687025 /nfs/dbraw/zinc/68/70/25/345687025.db2.gz ALKVFKZRZIDKHF-AWEZNQCLSA-N 1 0 241.338 3.055 50 0 BGAARO Cn1ccnc1-c1cccc(C(F)(F)F)c1 ZINC000095990772 538612380 /nfs/dbraw/zinc/61/23/80/538612380.db2.gz PGMJDKYOJLZWLY-UHFFFAOYSA-N 1 0 226.201 3.106 50 0 BGAARO COC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000096003195 174003892 /nfs/dbraw/zinc/00/38/92/174003892.db2.gz IKUJCVNPTXRYIC-ZIAGYGMSSA-N 1 0 237.387 3.114 50 0 BGAARO COC1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000096003196 174005104 /nfs/dbraw/zinc/00/51/04/174005104.db2.gz IKUJCVNPTXRYIC-KGLIPLIRSA-N 1 0 237.387 3.114 50 0 BGAARO COC1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000096003197 174003155 /nfs/dbraw/zinc/00/31/55/174003155.db2.gz IKUJCVNPTXRYIC-UONOGXRCSA-N 1 0 237.387 3.114 50 0 BGAARO COC1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000096003198 174004796 /nfs/dbraw/zinc/00/47/96/174004796.db2.gz IKUJCVNPTXRYIC-KBPBESRZSA-N 1 0 237.387 3.114 50 0 BGAARO CCCCCC(=O)O[C@@H](C)CCCC[NH+](C)C ZINC000096004154 168643254 /nfs/dbraw/zinc/64/32/54/168643254.db2.gz NDMYFIVGGNWZSL-ZDUSSCGKSA-N 1 0 243.391 3.230 50 0 BGAARO CCCCCC(=O)O[C@H](C)CCCC[NH+](C)C ZINC000096004155 168642842 /nfs/dbraw/zinc/64/28/42/168642842.db2.gz NDMYFIVGGNWZSL-CYBMUJFWSA-N 1 0 243.391 3.230 50 0 BGAARO CC1([NH2+]CCc2ccc(F)cc2F)CCC1 ZINC000096006941 168062672 /nfs/dbraw/zinc/06/26/72/168062672.db2.gz MMNOYGZCMUIMIH-UHFFFAOYSA-N 1 0 225.282 3.040 50 0 BGAARO CCCCCC(=O)OCC[N@H+](C)CC=C(C)C ZINC000096013275 388802977 /nfs/dbraw/zinc/80/29/77/388802977.db2.gz CQSQLYFCODXXSO-UHFFFAOYSA-N 1 0 241.375 3.008 50 0 BGAARO C[N@@H+]1CC[C@H](c2ccc3ccccc3c2)C1 ZINC000096026473 371379989 /nfs/dbraw/zinc/37/99/89/371379989.db2.gz CDRNZYNVQDYGHI-HNNXBMFYSA-N 1 0 211.308 3.259 50 0 BGAARO C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)C1 ZINC000096026474 371379669 /nfs/dbraw/zinc/37/96/69/371379669.db2.gz CDRNZYNVQDYGHI-OAHLLOKOSA-N 1 0 211.308 3.259 50 0 BGAARO C[N@@H+]1CC[C@H](c2cccc3ccccc32)C1 ZINC000096026480 371379622 /nfs/dbraw/zinc/37/96/22/371379622.db2.gz VOONEJCSBBMEIF-ZDUSSCGKSA-N 1 0 211.308 3.259 50 0 BGAARO C[N@@H+]1CC[C@@H](c2cccc3ccccc32)C1 ZINC000096026481 371379829 /nfs/dbraw/zinc/37/98/29/371379829.db2.gz VOONEJCSBBMEIF-CYBMUJFWSA-N 1 0 211.308 3.259 50 0 BGAARO [NH3+]CCC[C@@]1(C2=CCCCC2)CCCC[C@@H]1O ZINC000096026515 371380204 /nfs/dbraw/zinc/38/02/04/371380204.db2.gz AWGYJUNTRGVGIK-LSDHHAIUSA-N 1 0 237.387 3.147 50 0 BGAARO [NH3+]CCC[C@]1(C2=CCCCC2)CCCC[C@@H]1O ZINC000096026516 371379508 /nfs/dbraw/zinc/37/95/08/371379508.db2.gz AWGYJUNTRGVGIK-GJZGRUSLSA-N 1 0 237.387 3.147 50 0 BGAARO [NH3+]CCC[C@@]1(C2=CCCCC2)CCCC[C@H]1O ZINC000096026517 371380307 /nfs/dbraw/zinc/38/03/07/371380307.db2.gz AWGYJUNTRGVGIK-HUUCEWRRSA-N 1 0 237.387 3.147 50 0 BGAARO [NH3+]CCC[C@]1(C2=CCCCC2)CCCC[C@H]1O ZINC000096026518 371379631 /nfs/dbraw/zinc/37/96/31/371379631.db2.gz AWGYJUNTRGVGIK-CABCVRRESA-N 1 0 237.387 3.147 50 0 BGAARO Cc1cc(OCC(N)=[NH2+])c(C(C)C)cc1Cl ZINC000096026538 371379465 /nfs/dbraw/zinc/37/94/65/371379465.db2.gz WYYDBYKVLZQLGF-UHFFFAOYSA-N 1 0 240.734 3.087 50 0 BGAARO C[N@@H+]1CCC(c2ccccc2)(c2ccccc2)C1 ZINC000096026592 342694554 /nfs/dbraw/zinc/69/45/54/342694554.db2.gz FYBFKIKMIMZJGI-UHFFFAOYSA-N 1 0 237.346 3.308 50 0 BGAARO C[NH+](C)C1(c2cccs2)CCCCC1 ZINC000096026684 371380984 /nfs/dbraw/zinc/38/09/84/371380984.db2.gz NVSPDHCGDWOKEV-UHFFFAOYSA-N 1 0 209.358 3.469 50 0 BGAARO Cc1ccccc1OCC[N@@H+](C)CCC(C)C ZINC000096026702 371380888 /nfs/dbraw/zinc/38/08/88/371380888.db2.gz XWSBMLOYGROKIZ-UHFFFAOYSA-N 1 0 235.371 3.352 50 0 BGAARO CCC(CC)(OCC[NH+](C)C)c1ccccc1 ZINC000096026705 371381357 /nfs/dbraw/zinc/38/13/57/371381357.db2.gz GBVWFEFYOANCDQ-UHFFFAOYSA-N 1 0 235.371 3.280 50 0 BGAARO Cc1ccc(C2([NH+](C)C)CCCCC2)o1 ZINC000096026707 371381013 /nfs/dbraw/zinc/38/10/13/371381013.db2.gz CSWAJVKFBIUVEC-UHFFFAOYSA-N 1 0 207.317 3.309 50 0 BGAARO Cc1ccccc1OCCC[NH2+]CCC(C)C ZINC000096026764 256643063 /nfs/dbraw/zinc/64/30/63/256643063.db2.gz UAKBFQXWDPOAIG-UHFFFAOYSA-N 1 0 235.371 3.400 50 0 BGAARO CCCC[NH2+]C[C@@H]1C[C@H](C)c2ccccc2C1=O ZINC000096026832 371381146 /nfs/dbraw/zinc/38/11/46/371381146.db2.gz DMLSMEWRMJQNOO-STQMWFEESA-N 1 0 245.366 3.382 50 0 BGAARO CCCC[NH2+]C[C@H]1C[C@H](C)c2ccccc2C1=O ZINC000096026833 371380777 /nfs/dbraw/zinc/38/07/77/371380777.db2.gz DMLSMEWRMJQNOO-QWHCGFSZSA-N 1 0 245.366 3.382 50 0 BGAARO CCCC[NH2+]C[C@@H]1C[C@@H](C)c2ccccc2C1=O ZINC000096026834 371381449 /nfs/dbraw/zinc/38/14/49/371381449.db2.gz DMLSMEWRMJQNOO-OLZOCXBDSA-N 1 0 245.366 3.382 50 0 BGAARO CCCC[NH2+]C[C@H]1C[C@@H](C)c2ccccc2C1=O ZINC000096026835 371381207 /nfs/dbraw/zinc/38/12/07/371381207.db2.gz DMLSMEWRMJQNOO-CHWSQXEVSA-N 1 0 245.366 3.382 50 0 BGAARO CC(C)(Cc1ccccc1)[NH+]1CCCC1 ZINC000096026882 371378605 /nfs/dbraw/zinc/37/86/05/371378605.db2.gz NVHUBFCZZDBPCC-UHFFFAOYSA-N 1 0 203.329 3.104 50 0 BGAARO C[NH2+][C@]1(c2ccccc2)CCCC[C@H]1C ZINC000096026883 371377924 /nfs/dbraw/zinc/37/79/24/371377924.db2.gz LCQYIUFPUWBTAD-TZMCWYRMSA-N 1 0 203.329 3.311 50 0 BGAARO C[NH2+][C@]1(c2ccccc2)CCCC[C@@H]1C ZINC000096026884 371378920 /nfs/dbraw/zinc/37/89/20/371378920.db2.gz LCQYIUFPUWBTAD-GXTWGEPZSA-N 1 0 203.329 3.311 50 0 BGAARO C[NH2+][C@@]1(c2ccccc2)CCCC[C@H]1C ZINC000096026885 371378162 /nfs/dbraw/zinc/37/81/62/371378162.db2.gz LCQYIUFPUWBTAD-OCCSQVGLSA-N 1 0 203.329 3.311 50 0 BGAARO C[NH2+][C@@]1(c2ccccc2)CCCC[C@@H]1C ZINC000096026886 371378673 /nfs/dbraw/zinc/37/86/73/371378673.db2.gz LCQYIUFPUWBTAD-JSGCOSHPSA-N 1 0 203.329 3.311 50 0 BGAARO C[N@@H+]1CCC[C@@H](c2ccccc2)C1(C)C ZINC000096026900 371380843 /nfs/dbraw/zinc/38/08/43/371380843.db2.gz KNJWHDNGLSGYHI-ZDUSSCGKSA-N 1 0 203.329 3.274 50 0 BGAARO C[N@@H+]1CCC[C@H](c2ccccc2)C1(C)C ZINC000096026901 371380811 /nfs/dbraw/zinc/38/08/11/371380811.db2.gz KNJWHDNGLSGYHI-CYBMUJFWSA-N 1 0 203.329 3.274 50 0 BGAARO c1ccc2c(c1)CC[N@H+]1CC[C@H]3CCCC[C@]231 ZINC000096026908 371380822 /nfs/dbraw/zinc/38/08/22/371380822.db2.gz PERYEAFHHZTAKL-GDBMZVCRSA-N 1 0 227.351 3.334 50 0 BGAARO c1ccc2c(c1)CC[N@H+]1CC[C@H]3CCCC[C@@]231 ZINC000096026909 371381553 /nfs/dbraw/zinc/38/15/53/371381553.db2.gz PERYEAFHHZTAKL-ZBFHGGJFSA-N 1 0 227.351 3.334 50 0 BGAARO C[C@@H]1C[C@@H](C)[C@@](O)(c2ccccc2)C(C)(C)[N@@H+]1C ZINC000096026967 371381299 /nfs/dbraw/zinc/38/12/99/371381299.db2.gz NYYYKYZRBDJDOM-XJKCOSOUSA-N 1 0 247.382 3.013 50 0 BGAARO C[C@@H]1C[C@H](C)[C@@](O)(c2ccccc2)C(C)(C)[N@@H+]1C ZINC000096026968 371381367 /nfs/dbraw/zinc/38/13/67/371381367.db2.gz NYYYKYZRBDJDOM-WOSRLPQWSA-N 1 0 247.382 3.013 50 0 BGAARO C[N@H+](CCCOc1ccccc1)C(C)(C)C ZINC000096026975 371376895 /nfs/dbraw/zinc/37/68/95/371376895.db2.gz IDGAFBZNNOFITL-UHFFFAOYSA-N 1 0 221.344 3.186 50 0 BGAARO C[NH2+]C(C)(C)C(C)(C)Cc1ccccc1 ZINC000096026982 371381233 /nfs/dbraw/zinc/38/12/33/371381233.db2.gz OKDRIJWDDQSRKF-UHFFFAOYSA-N 1 0 205.345 3.253 50 0 BGAARO CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000096026983 388805689 /nfs/dbraw/zinc/80/56/89/388805689.db2.gz ZNFUQCFPEKQPHG-OAHLLOKOSA-N 1 0 217.356 3.494 50 0 BGAARO CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000096026984 388805507 /nfs/dbraw/zinc/80/55/07/388805507.db2.gz ZNFUQCFPEKQPHG-HNNXBMFYSA-N 1 0 217.356 3.494 50 0 BGAARO CC[C@@H](CCc1ccccc1)[NH+]1CCCC1 ZINC000096027035 371381251 /nfs/dbraw/zinc/38/12/51/371381251.db2.gz UFPGTHNPRQOVGO-HNNXBMFYSA-N 1 0 217.356 3.494 50 0 BGAARO CC[C@H](CCc1ccccc1)[NH+]1CCCC1 ZINC000096027036 371381531 /nfs/dbraw/zinc/38/15/31/371381531.db2.gz UFPGTHNPRQOVGO-OAHLLOKOSA-N 1 0 217.356 3.494 50 0 BGAARO c1ccc([C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000096027049 371380901 /nfs/dbraw/zinc/38/09/01/371380901.db2.gz JKECMGSANFSNJV-KGLIPLIRSA-N 1 0 201.313 3.028 50 0 BGAARO c1ccc([C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000096027050 371381215 /nfs/dbraw/zinc/38/12/15/371381215.db2.gz JKECMGSANFSNJV-KBPBESRZSA-N 1 0 201.313 3.028 50 0 BGAARO c1ccc([C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000096027051 371380975 /nfs/dbraw/zinc/38/09/75/371380975.db2.gz JKECMGSANFSNJV-ZIAGYGMSSA-N 1 0 201.313 3.028 50 0 BGAARO c1ccc([C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000096027052 371381420 /nfs/dbraw/zinc/38/14/20/371381420.db2.gz JKECMGSANFSNJV-UONOGXRCSA-N 1 0 201.313 3.028 50 0 BGAARO c1ccc([C@@H]2CCCC[C@@]23CCC[NH2+]3)cc1 ZINC000096027437 342698450 /nfs/dbraw/zinc/69/84/50/342698450.db2.gz UOVPTGPDKNPQRJ-LSDHHAIUSA-N 1 0 215.340 3.466 50 0 BGAARO c1ccc([C@H]2CCCC[C@@]23CCC[NH2+]3)cc1 ZINC000096027438 342698505 /nfs/dbraw/zinc/69/85/05/342698505.db2.gz UOVPTGPDKNPQRJ-HUUCEWRRSA-N 1 0 215.340 3.466 50 0 BGAARO c1ccc([C@@H]2CCCC[C@]23CCC[NH2+]3)cc1 ZINC000096027439 342698749 /nfs/dbraw/zinc/69/87/49/342698749.db2.gz UOVPTGPDKNPQRJ-GJZGRUSLSA-N 1 0 215.340 3.466 50 0 BGAARO c1ccc([C@H]2CCCC[C@]23CCC[NH2+]3)cc1 ZINC000096027440 342698865 /nfs/dbraw/zinc/69/88/65/342698865.db2.gz UOVPTGPDKNPQRJ-CABCVRRESA-N 1 0 215.340 3.466 50 0 BGAARO C[NH2+]C(C)(C)[C@H](c1ccccc1)C(C)C ZINC000096027453 371382285 /nfs/dbraw/zinc/38/22/85/371382285.db2.gz PDYKFILZCQFOON-ZDUSSCGKSA-N 1 0 205.345 3.424 50 0 BGAARO C[NH2+]C(C)(C)[C@@H](c1ccccc1)C(C)C ZINC000096027454 371382476 /nfs/dbraw/zinc/38/24/76/371382476.db2.gz PDYKFILZCQFOON-CYBMUJFWSA-N 1 0 205.345 3.424 50 0 BGAARO CC[C@@H](c1ccc(F)cc1)C(C)(C)[NH2+]C ZINC000096027461 371382258 /nfs/dbraw/zinc/38/22/58/371382258.db2.gz GKUSMLYUTGPIDQ-LBPRGKRZSA-N 1 0 209.308 3.317 50 0 BGAARO CC[C@H](c1ccc(F)cc1)C(C)(C)[NH2+]C ZINC000096027462 371382510 /nfs/dbraw/zinc/38/25/10/371382510.db2.gz GKUSMLYUTGPIDQ-GFCCVEGCSA-N 1 0 209.308 3.317 50 0 BGAARO [NH3+]CCCC[C@H](c1ccccc1)c1ccncc1 ZINC000096027474 371382376 /nfs/dbraw/zinc/38/23/76/371382376.db2.gz NHFGIESVWWQDJA-MRXNPFEDSA-N 1 0 240.350 3.343 50 0 BGAARO [NH3+]CCCC[C@@H](c1ccccc1)c1ccncc1 ZINC000096027475 371382521 /nfs/dbraw/zinc/38/25/21/371382521.db2.gz NHFGIESVWWQDJA-INIZCTEOSA-N 1 0 240.350 3.343 50 0 BGAARO CC[NH2+]C(C)(C)C(=O)c1cc2ccccc2s1 ZINC000096027496 371378694 /nfs/dbraw/zinc/37/86/94/371378694.db2.gz ITQDNVXMSGCCED-UHFFFAOYSA-N 1 0 247.363 3.472 50 0 BGAARO CC(C)(Cc1ccccc1)[NH+]1CCCCC1 ZINC000096027548 371382636 /nfs/dbraw/zinc/38/26/36/371382636.db2.gz HUHNEJQZCWFLAL-UHFFFAOYSA-N 1 0 217.356 3.494 50 0 BGAARO CC(C)(Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC000096027558 371378926 /nfs/dbraw/zinc/37/89/26/371378926.db2.gz VYYMZJBLTXAXMX-UHFFFAOYSA-N 1 0 221.319 3.243 50 0 BGAARO CC(C)(Cc1cccc(F)c1)[NH+]1CCCC1 ZINC000096027584 371382487 /nfs/dbraw/zinc/38/24/87/371382487.db2.gz AVXRDYGHYLZHAG-UHFFFAOYSA-N 1 0 221.319 3.243 50 0 BGAARO c1cc2c3c(c1)C[C@H]([NH2+]CC1CC1)C[C@@H]3CC2 ZINC000096027588 371382255 /nfs/dbraw/zinc/38/22/55/371382255.db2.gz MVHPZMFHBAZRLZ-GJZGRUSLSA-N 1 0 227.351 3.031 50 0 BGAARO c1cc2c3c(c1)C[C@@H]([NH2+]CC1CC1)C[C@@H]3CC2 ZINC000096027589 371382581 /nfs/dbraw/zinc/38/25/81/371382581.db2.gz MVHPZMFHBAZRLZ-LSDHHAIUSA-N 1 0 227.351 3.031 50 0 BGAARO c1cc2c3c(c1)C[C@H]([NH2+]CC1CC1)C[C@H]3CC2 ZINC000096027590 342699323 /nfs/dbraw/zinc/69/93/23/342699323.db2.gz MVHPZMFHBAZRLZ-CABCVRRESA-N 1 0 227.351 3.031 50 0 BGAARO c1cc2c3c(c1)C[C@@H]([NH2+]CC1CC1)C[C@H]3CC2 ZINC000096027591 342699378 /nfs/dbraw/zinc/69/93/78/342699378.db2.gz MVHPZMFHBAZRLZ-HUUCEWRRSA-N 1 0 227.351 3.031 50 0 BGAARO COc1ccc([C@H]2CCC[N@@H+]2C(C)C)cc1OC ZINC000096027884 371383596 /nfs/dbraw/zinc/38/35/96/371383596.db2.gz PSKUKIBTKRAOHK-CYBMUJFWSA-N 1 0 249.354 3.249 50 0 BGAARO COc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cc1OC ZINC000096027885 371383355 /nfs/dbraw/zinc/38/33/55/371383355.db2.gz PSKUKIBTKRAOHK-ZDUSSCGKSA-N 1 0 249.354 3.249 50 0 BGAARO C/C=C(\C)c1ccc(OCC[NH+](C)C)cc1 ZINC000096027959 342701393 /nfs/dbraw/zinc/70/13/93/342701393.db2.gz SBDKQBKTLHQECI-LFYBBSHMSA-N 1 0 219.328 3.050 50 0 BGAARO CCCCCN(CC[NH+](C)C)c1ccccc1 ZINC000096027975 371383842 /nfs/dbraw/zinc/38/38/42/371383842.db2.gz LXOHMBTYGLHGFM-UHFFFAOYSA-N 1 0 234.387 3.245 50 0 BGAARO C[NH+](C)CCC(=O)C1(c2ccccc2)CCCC1 ZINC000096027977 371383807 /nfs/dbraw/zinc/38/38/07/371383807.db2.gz PUQOFDUPNISBFO-UHFFFAOYSA-N 1 0 245.366 3.019 50 0 BGAARO CC(=O)c1ccc(CC(C)(C)[NH2+]CC(C)C)cc1 ZINC000096027986 371383682 /nfs/dbraw/zinc/38/36/82/371383682.db2.gz QLDKRLOXGSPUGD-UHFFFAOYSA-N 1 0 247.382 3.456 50 0 BGAARO CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000096033232 169282993 /nfs/dbraw/zinc/28/29/93/169282993.db2.gz VGHCJUVDANHXRW-GFCCVEGCSA-N 1 0 209.720 3.327 50 0 BGAARO CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000096033233 169292525 /nfs/dbraw/zinc/29/25/25/169292525.db2.gz VGHCJUVDANHXRW-LBPRGKRZSA-N 1 0 209.720 3.327 50 0 BGAARO Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC1 ZINC000096033240 384424868 /nfs/dbraw/zinc/42/48/68/384424868.db2.gz STMRJHAAVAQDNN-LBPRGKRZSA-N 1 0 207.704 3.079 50 0 BGAARO Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC1 ZINC000096033241 384423685 /nfs/dbraw/zinc/42/36/85/384423685.db2.gz STMRJHAAVAQDNN-GFCCVEGCSA-N 1 0 207.704 3.079 50 0 BGAARO [NH3+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000096034557 181361254 /nfs/dbraw/zinc/36/12/54/181361254.db2.gz FAAVCGJICKTEOD-UHFFFAOYSA-N 1 0 249.663 3.349 50 0 BGAARO CCCCC[C@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000096114753 388809215 /nfs/dbraw/zinc/80/92/15/388809215.db2.gz KHLSOOHKLMLAIT-AWEZNQCLSA-N 1 0 227.392 3.491 50 0 BGAARO CCCCC[C@@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000096114754 388808635 /nfs/dbraw/zinc/80/86/35/388808635.db2.gz KHLSOOHKLMLAIT-CQSZACIVSA-N 1 0 227.392 3.491 50 0 BGAARO CCCC[C@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000096116423 169015798 /nfs/dbraw/zinc/01/57/98/169015798.db2.gz PYHRVNADZXAROH-ZDUSSCGKSA-N 1 0 213.365 3.101 50 0 BGAARO CCCC[C@@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000096116424 371413966 /nfs/dbraw/zinc/41/39/66/371413966.db2.gz PYHRVNADZXAROH-CYBMUJFWSA-N 1 0 213.365 3.101 50 0 BGAARO COCCC[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000096163362 384440729 /nfs/dbraw/zinc/44/07/29/384440729.db2.gz APPCLWFXQMOXSE-CQSZACIVSA-N 1 0 248.370 3.033 50 0 BGAARO COCCC[C@@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000096163363 384440464 /nfs/dbraw/zinc/44/04/64/384440464.db2.gz APPCLWFXQMOXSE-AWEZNQCLSA-N 1 0 248.370 3.033 50 0 BGAARO C[C@@H](c1ccc(-c2ccc(O)cn2)cc1)[NH+](C)C ZINC000096180813 176013157 /nfs/dbraw/zinc/01/31/57/176013157.db2.gz VVPAFQQUNDOJRD-NSHDSACASA-N 1 0 242.322 3.077 50 0 BGAARO C[C@H](c1ccc(-c2ccc(O)cn2)cc1)[NH+](C)C ZINC000096180814 177031693 /nfs/dbraw/zinc/03/16/93/177031693.db2.gz VVPAFQQUNDOJRD-LLVKDONJSA-N 1 0 242.322 3.077 50 0 BGAARO CCOc1ccc2[nH]cc(CC[NH2+]C(C)C)c2c1 ZINC000096319600 384256860 /nfs/dbraw/zinc/25/68/60/384256860.db2.gz LFQZNFHEMIWVQB-UHFFFAOYSA-N 1 0 246.354 3.107 50 0 BGAARO CCC[NH2+]CCc1c[nH]c2ccc(OCC)cc12 ZINC000096345814 169261242 /nfs/dbraw/zinc/26/12/42/169261242.db2.gz YUERYRGCPJLFGC-UHFFFAOYSA-N 1 0 246.354 3.109 50 0 BGAARO c1ccc(C2CC([NH2+]C3CCSCC3)C2)cc1 ZINC000096404233 183389521 /nfs/dbraw/zinc/38/95/21/183389521.db2.gz NPEXMFAACJIMSW-UHFFFAOYSA-N 1 0 247.407 3.418 50 0 BGAARO COc1ccc([C@H](C)[NH2+][C@@H](C)CSC)cc1 ZINC000096477974 175189034 /nfs/dbraw/zinc/18/90/34/175189034.db2.gz FBRBIKPQRFWFST-QWRGUYRKSA-N 1 0 239.384 3.097 50 0 BGAARO COc1ccc([C@H](C)[NH2+][C@H](C)CSC)cc1 ZINC000096477976 175189350 /nfs/dbraw/zinc/18/93/50/175189350.db2.gz FBRBIKPQRFWFST-MNOVXSKESA-N 1 0 239.384 3.097 50 0 BGAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)CSC)cc1 ZINC000096477978 175176994 /nfs/dbraw/zinc/17/69/94/175176994.db2.gz FBRBIKPQRFWFST-WDEREUQCSA-N 1 0 239.384 3.097 50 0 BGAARO COc1ccc([C@@H](C)[NH2+][C@H](C)CSC)cc1 ZINC000096477980 175177913 /nfs/dbraw/zinc/17/79/13/175177913.db2.gz FBRBIKPQRFWFST-GHMZBOCLSA-N 1 0 239.384 3.097 50 0 BGAARO CSCC[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000096478007 385196103 /nfs/dbraw/zinc/19/61/03/385196103.db2.gz RFDTWMUNZCCGJD-UWVGGRQHSA-N 1 0 213.346 3.072 50 0 BGAARO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000096478009 385196145 /nfs/dbraw/zinc/19/61/45/385196145.db2.gz RFDTWMUNZCCGJD-ZJUUUORDSA-N 1 0 213.346 3.072 50 0 BGAARO CSCC[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000096478011 385197484 /nfs/dbraw/zinc/19/74/84/385197484.db2.gz RFDTWMUNZCCGJD-VHSXEESVSA-N 1 0 213.346 3.072 50 0 BGAARO CSCC[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000096478013 385195967 /nfs/dbraw/zinc/19/59/67/385195967.db2.gz RFDTWMUNZCCGJD-NXEZZACHSA-N 1 0 213.346 3.072 50 0 BGAARO CC[C@H]([NH2+]CCCc1c(C)noc1C)C(C)C ZINC000096479193 171520334 /nfs/dbraw/zinc/52/03/34/171520334.db2.gz WJDVCSMUFGTCAA-AWEZNQCLSA-N 1 0 238.375 3.248 50 0 BGAARO CC[C@@H]([NH2+]CCCc1c(C)noc1C)C(C)C ZINC000096479195 170894182 /nfs/dbraw/zinc/89/41/82/170894182.db2.gz WJDVCSMUFGTCAA-CQSZACIVSA-N 1 0 238.375 3.248 50 0 BGAARO CS[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000096494461 388821424 /nfs/dbraw/zinc/82/14/24/388821424.db2.gz LPUQUFHIBPDLHR-NWDGAFQWSA-N 1 0 225.401 3.049 50 0 BGAARO CS[C@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000096494462 388821758 /nfs/dbraw/zinc/82/17/58/388821758.db2.gz LPUQUFHIBPDLHR-RYUDHWBXSA-N 1 0 225.401 3.049 50 0 BGAARO CS[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000096494463 388822128 /nfs/dbraw/zinc/82/21/28/388822128.db2.gz LPUQUFHIBPDLHR-VXGBXAGGSA-N 1 0 225.401 3.049 50 0 BGAARO CS[C@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000096494464 388821767 /nfs/dbraw/zinc/82/17/67/388821767.db2.gz LPUQUFHIBPDLHR-NEPJUHHUSA-N 1 0 225.401 3.049 50 0 BGAARO c1ccc2c(c1)cncc2CCC1CC[NH2+]CC1 ZINC000096663629 384471418 /nfs/dbraw/zinc/47/14/18/384471418.db2.gz WYXORAKDCQZJOO-UHFFFAOYSA-N 1 0 240.350 3.167 50 0 BGAARO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC000097032729 168153075 /nfs/dbraw/zinc/15/30/75/168153075.db2.gz FXTMDQCUWJVOJS-HXSCFSKGSA-N 1 0 239.403 3.048 50 0 BGAARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC000097032730 168153667 /nfs/dbraw/zinc/15/36/67/168153667.db2.gz FXTMDQCUWJVOJS-JYVUQVBGSA-N 1 0 239.403 3.048 50 0 BGAARO CCCC(C)(C)[NH2+][C@@H](C)c1nccs1 ZINC000097037689 388831759 /nfs/dbraw/zinc/83/17/59/388831759.db2.gz CSPPXWFJBXTVPH-VIFPVBQESA-N 1 0 212.362 3.372 50 0 BGAARO CCCC(C)(C)[NH2+][C@H](C)c1nccs1 ZINC000097037690 388831373 /nfs/dbraw/zinc/83/13/73/388831373.db2.gz CSPPXWFJBXTVPH-SECBINFHSA-N 1 0 212.362 3.372 50 0 BGAARO Cc1ncc(C[NH+](C(C)C)C(C)C)s1 ZINC000097048555 180138054 /nfs/dbraw/zinc/13/80/54/180138054.db2.gz ZONUZFYTPWLMEJ-UHFFFAOYSA-N 1 0 212.362 3.070 50 0 BGAARO CCc1noc(C)c1C[NH+](C(C)C)C(C)C ZINC000097048566 172074849 /nfs/dbraw/zinc/07/48/49/172074849.db2.gz PLJNNIPCWHRZEQ-UHFFFAOYSA-N 1 0 224.348 3.164 50 0 BGAARO [NH3+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000097053954 181363188 /nfs/dbraw/zinc/36/31/88/181363188.db2.gz XCQCYIZQEVBSDY-UHFFFAOYSA-N 1 0 227.710 3.250 50 0 BGAARO CC1(C[NH2+]C2CCC(O)CC2)CCCCCC1 ZINC000097054640 168040841 /nfs/dbraw/zinc/04/08/41/168040841.db2.gz PQTMAGQYIBGZEV-UHFFFAOYSA-N 1 0 239.403 3.240 50 0 BGAARO C[C@@H](Cn1cccn1)[NH2+]CC1(C)CCCCCC1 ZINC000097054682 398269353 /nfs/dbraw/zinc/26/93/53/398269353.db2.gz UAOGVJXUWKBJRW-AWEZNQCLSA-N 1 0 249.402 3.222 50 0 BGAARO C[C@H](Cn1cccn1)[NH2+]CC1(C)CCCCCC1 ZINC000097054688 176730939 /nfs/dbraw/zinc/73/09/39/176730939.db2.gz UAOGVJXUWKBJRW-CQSZACIVSA-N 1 0 249.402 3.222 50 0 BGAARO C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000097086375 176035084 /nfs/dbraw/zinc/03/50/84/176035084.db2.gz WOLUKIXYNLLYLU-KBPBESRZSA-N 1 0 230.355 3.431 50 0 BGAARO C[C@H](c1ccncc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000097086376 177049687 /nfs/dbraw/zinc/04/96/87/177049687.db2.gz WOLUKIXYNLLYLU-KGLIPLIRSA-N 1 0 230.355 3.431 50 0 BGAARO CC(C)c1ocnc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000097096374 398225334 /nfs/dbraw/zinc/22/53/34/398225334.db2.gz OOZQTCVPHIMOMX-NEPJUHHUSA-N 1 0 236.359 3.466 50 0 BGAARO CC(C)c1ocnc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000097096375 398225430 /nfs/dbraw/zinc/22/54/30/398225430.db2.gz OOZQTCVPHIMOMX-RYUDHWBXSA-N 1 0 236.359 3.466 50 0 BGAARO CC(C)c1ocnc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000097096377 398225437 /nfs/dbraw/zinc/22/54/37/398225437.db2.gz OOZQTCVPHIMOMX-VXGBXAGGSA-N 1 0 236.359 3.466 50 0 BGAARO CC(C)c1ocnc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000097096378 398225222 /nfs/dbraw/zinc/22/52/22/398225222.db2.gz OOZQTCVPHIMOMX-NWDGAFQWSA-N 1 0 236.359 3.466 50 0 BGAARO CCCCCC[C@@H]1CCC[C@@H]1[NH+]1CC(CO)C1 ZINC000097101088 384357637 /nfs/dbraw/zinc/35/76/37/384357637.db2.gz XEPKFAZADZKTAK-CABCVRRESA-N 1 0 239.403 3.050 50 0 BGAARO CCCCCC[C@H]1CCC[C@@H]1[NH+]1CC(CO)C1 ZINC000097101089 384357970 /nfs/dbraw/zinc/35/79/70/384357970.db2.gz XEPKFAZADZKTAK-GJZGRUSLSA-N 1 0 239.403 3.050 50 0 BGAARO CCCCCC[C@@H]1CCC[C@H]1[NH+]1CC(CO)C1 ZINC000097101091 384358913 /nfs/dbraw/zinc/35/89/13/384358913.db2.gz XEPKFAZADZKTAK-HUUCEWRRSA-N 1 0 239.403 3.050 50 0 BGAARO CCCCCC[C@H]1CCC[C@H]1[NH+]1CC(CO)C1 ZINC000097101092 384358627 /nfs/dbraw/zinc/35/86/27/384358627.db2.gz XEPKFAZADZKTAK-LSDHHAIUSA-N 1 0 239.403 3.050 50 0 BGAARO Cc1noc(C)c1C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000097103951 322984745 /nfs/dbraw/zinc/98/47/45/322984745.db2.gz KQOWYBIOEGXKSJ-SNVBAGLBSA-N 1 0 238.375 3.248 50 0 BGAARO Cc1noc(C)c1C[C@H](C)[NH2+]CCC(C)(C)C ZINC000097103952 490317853 /nfs/dbraw/zinc/31/78/53/490317853.db2.gz KQOWYBIOEGXKSJ-JTQLQIEISA-N 1 0 238.375 3.248 50 0 BGAARO c1cc2c(cccc2C[N@@H+]2CCCSCC2)[nH]1 ZINC000097113633 183342553 /nfs/dbraw/zinc/34/25/53/183342553.db2.gz XLVIWTNOUDUGQD-UHFFFAOYSA-N 1 0 246.379 3.107 50 0 BGAARO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c(C)o1 ZINC000097113683 384369917 /nfs/dbraw/zinc/36/99/17/384369917.db2.gz LTLPFJMCSFAUAO-LBPRGKRZSA-N 1 0 244.338 3.484 50 0 BGAARO Cc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)c(C)o1 ZINC000097113684 384369586 /nfs/dbraw/zinc/36/95/86/384369586.db2.gz LTLPFJMCSFAUAO-GFCCVEGCSA-N 1 0 244.338 3.484 50 0 BGAARO Cc1noc(C)c1CCCNc1cccc(C)[nH+]1 ZINC000097163364 179144477 /nfs/dbraw/zinc/14/44/77/179144477.db2.gz UCAHPDDAQOVTSF-UHFFFAOYSA-N 1 0 245.326 3.040 50 0 BGAARO CC[C@H]([NH2+]CCCc1nc(C)cs1)C1CC1 ZINC000097228356 171520834 /nfs/dbraw/zinc/52/08/34/171520834.db2.gz DOFWPQKPDSJUOU-LBPRGKRZSA-N 1 0 238.400 3.162 50 0 BGAARO CC[C@@H]([NH2+]CCCc1nc(C)cs1)C1CC1 ZINC000097228358 384450295 /nfs/dbraw/zinc/45/02/95/384450295.db2.gz DOFWPQKPDSJUOU-GFCCVEGCSA-N 1 0 238.400 3.162 50 0 BGAARO COCCC1([NH2+][C@@H](C)c2cccnc2)CCCC1 ZINC000097231552 344102436 /nfs/dbraw/zinc/10/24/36/344102436.db2.gz ANFAIBFCQODTBV-ZDUSSCGKSA-N 1 0 248.370 3.082 50 0 BGAARO COCCC1([NH2+][C@H](C)c2cccnc2)CCCC1 ZINC000097231554 344102400 /nfs/dbraw/zinc/10/24/00/344102400.db2.gz ANFAIBFCQODTBV-CYBMUJFWSA-N 1 0 248.370 3.082 50 0 BGAARO C[C@H]([NH2+][C@]1(C)CCOC1)c1cc2ccccc2o1 ZINC000097231631 176930915 /nfs/dbraw/zinc/93/09/15/176930915.db2.gz DRHQZVRQMPOKTG-XHDPSFHLSA-N 1 0 245.322 3.262 50 0 BGAARO C[C@@H]([NH2+][C@]1(C)CCOC1)c1cc2ccccc2o1 ZINC000097231632 384461048 /nfs/dbraw/zinc/46/10/48/384461048.db2.gz DRHQZVRQMPOKTG-IAQYHMDHSA-N 1 0 245.322 3.262 50 0 BGAARO C[C@H]([NH2+][C@@]1(C)CCOC1)c1cc2ccccc2o1 ZINC000097231633 188148917 /nfs/dbraw/zinc/14/89/17/188148917.db2.gz DRHQZVRQMPOKTG-NHYWBVRUSA-N 1 0 245.322 3.262 50 0 BGAARO C[C@@H]([NH2+][C@@]1(C)CCOC1)c1cc2ccccc2o1 ZINC000097231635 384459858 /nfs/dbraw/zinc/45/98/58/384459858.db2.gz DRHQZVRQMPOKTG-ABAIWWIYSA-N 1 0 245.322 3.262 50 0 BGAARO CC(C)[NH+](Cc1ccncc1Cl)C(C)C ZINC000097233669 384463317 /nfs/dbraw/zinc/46/33/17/384463317.db2.gz OCBGGEDCMVWSRH-UHFFFAOYSA-N 1 0 226.751 3.354 50 0 BGAARO Cc1ccc(C[NH2+]C/C=C\c2ccccc2)cn1 ZINC000097296561 388835894 /nfs/dbraw/zinc/83/58/94/388835894.db2.gz OMCONMZXIOTUSW-YVMONPNESA-N 1 0 238.334 3.193 50 0 BGAARO CC(C)(C)SCC[NH2+][C@@H]1CCCSC1 ZINC000097370995 397928625 /nfs/dbraw/zinc/92/86/25/397928625.db2.gz IJTSPFWDUHDAOA-SNVBAGLBSA-N 1 0 233.446 3.003 50 0 BGAARO CC(C)(C)SCC[NH2+][C@H]1CCCSC1 ZINC000097370997 397928847 /nfs/dbraw/zinc/92/88/47/397928847.db2.gz IJTSPFWDUHDAOA-JTQLQIEISA-N 1 0 233.446 3.003 50 0 BGAARO CC[C@@H]1CCC[C@H](C[NH2+][C@H](CO)C(C)(C)C)C1 ZINC000097377108 342792124 /nfs/dbraw/zinc/79/21/24/342792124.db2.gz IMIAWYZSZKMDBN-HZSPNIEDSA-N 1 0 241.419 3.199 50 0 BGAARO CC[C@H]1CCC[C@H](C[NH2+][C@H](CO)C(C)(C)C)C1 ZINC000097377110 384182901 /nfs/dbraw/zinc/18/29/01/384182901.db2.gz IMIAWYZSZKMDBN-MELADBBJSA-N 1 0 241.419 3.199 50 0 BGAARO CC[C@@H]1CCC[C@@H](C[NH2+][C@H](CO)C(C)(C)C)C1 ZINC000097377112 344177018 /nfs/dbraw/zinc/17/70/18/344177018.db2.gz IMIAWYZSZKMDBN-MGPQQGTHSA-N 1 0 241.419 3.199 50 0 BGAARO CC[C@H]1CCC[C@@H](C[NH2+][C@H](CO)C(C)(C)C)C1 ZINC000097377114 384181682 /nfs/dbraw/zinc/18/16/82/384181682.db2.gz IMIAWYZSZKMDBN-BFHYXJOUSA-N 1 0 241.419 3.199 50 0 BGAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000097499406 384527621 /nfs/dbraw/zinc/52/76/21/384527621.db2.gz DTEQKWXDYFBCRA-GFCCVEGCSA-N 1 0 239.384 3.057 50 0 BGAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000097499407 384527251 /nfs/dbraw/zinc/52/72/51/384527251.db2.gz DTEQKWXDYFBCRA-LBPRGKRZSA-N 1 0 239.384 3.057 50 0 BGAARO Cc1ccc(C[NH+]2CC(c3cccnc3)C2)s1 ZINC000097638090 178564049 /nfs/dbraw/zinc/56/40/49/178564049.db2.gz BHGDWKRWAXTNQM-UHFFFAOYSA-N 1 0 244.363 3.051 50 0 BGAARO Cc1cc(-c2ccc(C[NH+](C)C)cn2)ccc1F ZINC000097713481 384548300 /nfs/dbraw/zinc/54/83/00/384548300.db2.gz IXMOCTUGPPIAKS-UHFFFAOYSA-N 1 0 244.313 3.258 50 0 BGAARO c1cc2c(cccc2C[NH2+][C@@H]2CCCSC2)[nH]1 ZINC000098018523 183352116 /nfs/dbraw/zinc/35/21/16/183352116.db2.gz AFCJQEMEVLLADP-GFCCVEGCSA-N 1 0 246.379 3.153 50 0 BGAARO c1cc2c(cccc2C[NH2+][C@H]2CCCSC2)[nH]1 ZINC000098018524 183353269 /nfs/dbraw/zinc/35/32/69/183353269.db2.gz AFCJQEMEVLLADP-LBPRGKRZSA-N 1 0 246.379 3.153 50 0 BGAARO CCCCN(CCCC)c1cc[nH+]cc1 ZINC000100017826 384608539 /nfs/dbraw/zinc/60/85/39/384608539.db2.gz VRWJOISQKOAUMR-UHFFFAOYSA-N 1 0 206.333 3.488 50 0 BGAARO C1=C(c2ccccc2)[NH2+]C[C@H]1c1ccccc1 ZINC000100051174 384612371 /nfs/dbraw/zinc/61/23/71/384612371.db2.gz LNVBTQNUZBSTMY-HNNXBMFYSA-N 1 0 221.303 3.415 50 0 BGAARO C1=C(c2ccccc2)[NH2+]C[C@@H]1c1ccccc1 ZINC000100051176 384612615 /nfs/dbraw/zinc/61/26/15/384612615.db2.gz LNVBTQNUZBSTMY-OAHLLOKOSA-N 1 0 221.303 3.415 50 0 BGAARO Cc1ccc2oc([C@H]3CC[C@H](C[NH3+])CC3)nc2c1 ZINC000100130650 384618895 /nfs/dbraw/zinc/61/88/95/384618895.db2.gz DAZIVKWNLZVHJC-TXEJJXNPSA-N 1 0 244.338 3.369 50 0 BGAARO CCCCCCc1cc(C=[NH2+])c(O)cc1O ZINC000100252509 398333629 /nfs/dbraw/zinc/33/36/29/398333629.db2.gz TWWSMAOACKMFNQ-UHFFFAOYSA-N 1 0 221.300 3.218 50 0 BGAARO C1CS[C@]2(CC[C@H]3CCCC[C@@H]3C2)[NH2+]1 ZINC000101251860 191064385 /nfs/dbraw/zinc/06/43/85/191064385.db2.gz QGBHEKOPFUSDOP-UTUOFQBUSA-N 1 0 211.374 3.009 50 0 BGAARO c1ccc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)nc2c1 ZINC000101319812 384669715 /nfs/dbraw/zinc/66/97/15/384669715.db2.gz FTUQXJHPJLCOIY-GYSYKLTISA-N 1 0 241.338 3.156 50 0 BGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000101564486 176145090 /nfs/dbraw/zinc/14/50/90/176145090.db2.gz MIKSTOQTQHEXAR-MCIONIFRSA-N 1 0 241.419 3.484 50 0 BGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000101564497 176124476 /nfs/dbraw/zinc/12/44/76/176124476.db2.gz MIKSTOQTQHEXAR-MGPQQGTHSA-N 1 0 241.419 3.484 50 0 BGAARO c1ccc2c(c1)CC[N@H+]1CC[C@@H]3CCCC[C@]231 ZINC000102190951 357213027 /nfs/dbraw/zinc/21/30/27/357213027.db2.gz PERYEAFHHZTAKL-GOEBONIOSA-N 1 0 227.351 3.334 50 0 BGAARO CN1CCC[NH+]=C1/C=C/c1ccc(Cl)s1 ZINC000102295952 173019196 /nfs/dbraw/zinc/01/91/96/173019196.db2.gz XNEKEHVDZIYYFU-GQCTYLIASA-N 1 0 240.759 3.149 50 0 BGAARO CC(C)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC000103433566 410897084 /nfs/dbraw/zinc/89/70/84/410897084.db2.gz JMWRJZWVKZCRNZ-ARJAWSKDSA-N 1 0 209.720 3.351 50 0 BGAARO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC000103589512 176212875 /nfs/dbraw/zinc/21/28/75/176212875.db2.gz VNWCMZIKLFWDSD-XBXGTLAGSA-N 1 0 203.329 3.355 50 0 BGAARO CCOC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000103605052 170331957 /nfs/dbraw/zinc/33/19/57/170331957.db2.gz BVZXERBBFUUTBD-TWGQIWQCSA-N 1 0 245.366 3.201 50 0 BGAARO Cc1cnc([C@@H](C)[NH2+]C2CCCCC2)s1 ZINC000104293765 387491450 /nfs/dbraw/zinc/49/14/50/387491450.db2.gz XCNAXVWSCRTXBO-SNVBAGLBSA-N 1 0 224.373 3.435 50 0 BGAARO Cc1cnc([C@H](C)[NH2+]C2CCCCC2)s1 ZINC000104293772 387492339 /nfs/dbraw/zinc/49/23/39/387492339.db2.gz XCNAXVWSCRTXBO-JTQLQIEISA-N 1 0 224.373 3.435 50 0 BGAARO COc1ccc2[nH]cc(CC[NH2+]CC(C)C)c2c1 ZINC000104537896 175216001 /nfs/dbraw/zinc/21/60/01/175216001.db2.gz FPVKYVBJXYUXBZ-GFCCVEGCSA-N 1 0 246.354 3.130 50 0 BGAARO COc1ccc2[nH]cc(CC[NH2+]CC(C)C)c2c1 ZINC000104537901 175213195 /nfs/dbraw/zinc/21/31/95/175213195.db2.gz FPVKYVBJXYUXBZ-LBPRGKRZSA-N 1 0 246.354 3.130 50 0 BGAARO C#[N+]c1cc(C(F)(F)F)ccc1OC ZINC000104899798 183317088 /nfs/dbraw/zinc/31/70/88/183317088.db2.gz SDXZAZYUFDXGHG-UHFFFAOYSA-N 1 0 201.147 3.265 50 0 BGAARO CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000106107671 369084726 /nfs/dbraw/zinc/08/47/26/369084726.db2.gz ZACRMWBJPWJUTC-GHMZBOCLSA-N 1 0 249.358 3.130 50 0 BGAARO CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000106107673 398281817 /nfs/dbraw/zinc/28/18/17/398281817.db2.gz ZACRMWBJPWJUTC-MNOVXSKESA-N 1 0 249.358 3.130 50 0 BGAARO CC(C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000106436147 167118970 /nfs/dbraw/zinc/11/89/70/167118970.db2.gz OVKUDVDJENGZNA-UHFFFAOYSA-N 1 0 226.323 3.247 50 0 BGAARO c1ccc([C@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)cc1 ZINC000106632880 388596173 /nfs/dbraw/zinc/59/61/73/388596173.db2.gz OGTKVJMTONSEBS-JKSUJKDBSA-N 1 0 245.366 3.045 50 0 BGAARO C[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000107837529 387155133 /nfs/dbraw/zinc/15/51/33/387155133.db2.gz RSVOSXVGDWQLNR-UHFFFAOYSA-N 1 0 241.334 3.028 50 0 BGAARO C[C@H](O)[C@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC000108461017 490141421 /nfs/dbraw/zinc/14/14/21/490141421.db2.gz FXTMDQCUWJVOJS-OOJKYFRXSA-N 1 0 239.403 3.048 50 0 BGAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC000108461018 490141197 /nfs/dbraw/zinc/14/11/97/490141197.db2.gz FXTMDQCUWJVOJS-SHWKFHJASA-N 1 0 239.403 3.048 50 0 BGAARO c1c[n+](C2CCCC2)cn1C1CCCC1 ZINC000114150712 370547064 /nfs/dbraw/zinc/54/70/64/370547064.db2.gz IYVOLOORQGEGRC-UHFFFAOYSA-N 1 0 205.325 3.006 50 0 BGAARO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC000116308983 386940586 /nfs/dbraw/zinc/94/05/86/386940586.db2.gz CVKGXEUHVXZXHR-GFCCVEGCSA-N 1 0 235.375 3.058 50 0 BGAARO CC(C)(C)[C@H]1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC000116308987 188246879 /nfs/dbraw/zinc/24/68/79/188246879.db2.gz CVKGXEUHVXZXHR-LBPRGKRZSA-N 1 0 235.375 3.058 50 0 BGAARO CCC1(Cc2ccccc2)CC[NH2+]CC1 ZINC000116394691 384134704 /nfs/dbraw/zinc/13/47/04/384134704.db2.gz ZKFUYPZVEGZRNG-UHFFFAOYSA-N 1 0 203.329 3.009 50 0 BGAARO CC[C@@H]1CCC[N@H+](Cc2cc(OC)ccn2)CC1 ZINC000117343364 344744665 /nfs/dbraw/zinc/74/46/65/344744665.db2.gz WOQNZZRJICVVSK-CYBMUJFWSA-N 1 0 248.370 3.102 50 0 BGAARO CC[C@H]1CCC[N@H+](Cc2cc(OC)ccn2)CC1 ZINC000117343366 384172141 /nfs/dbraw/zinc/17/21/41/384172141.db2.gz WOQNZZRJICVVSK-ZDUSSCGKSA-N 1 0 248.370 3.102 50 0 BGAARO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000119819968 589335256 /nfs/dbraw/zinc/33/52/56/589335256.db2.gz QZGMEOPAAWMEFY-LLVKDONJSA-N 1 0 244.338 3.012 50 0 BGAARO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccccc1 ZINC000119820143 643064811 /nfs/dbraw/zinc/06/48/11/643064811.db2.gz QZGMEOPAAWMEFY-NSHDSACASA-N 1 0 244.338 3.012 50 0 BGAARO Cc1cnc(C[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000119950224 385049658 /nfs/dbraw/zinc/04/96/58/385049658.db2.gz CWRLSHJPWVJZJJ-LLVKDONJSA-N 1 0 222.332 3.041 50 0 BGAARO Cc1cnc(C[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000119950369 385051449 /nfs/dbraw/zinc/05/14/49/385051449.db2.gz CWRLSHJPWVJZJJ-NSHDSACASA-N 1 0 222.332 3.041 50 0 BGAARO C1=C(CC[NH2+]Cc2ccccc2)CCC1 ZINC000120168678 188172770 /nfs/dbraw/zinc/17/27/70/188172770.db2.gz ULKUDRWLTXXPQP-UHFFFAOYSA-N 1 0 201.313 3.277 50 0 BGAARO Cc1cc2c(N)c3c([nH+]c2cc1F)CCCC3 ZINC000122657788 178279295 /nfs/dbraw/zinc/27/92/95/178279295.db2.gz ACOCWQHAGYYMMP-UHFFFAOYSA-N 1 0 230.286 3.143 50 0 BGAARO c1ccc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000123418112 385991830 /nfs/dbraw/zinc/99/18/30/385991830.db2.gz QVROKNPVBKZIMD-MRXNPFEDSA-N 1 0 238.334 3.071 50 0 BGAARO C[C@]1(Cc2ccccc2C(F)(F)F)CCC[NH2+]1 ZINC000124138497 388699631 /nfs/dbraw/zinc/69/96/31/388699631.db2.gz YWGJRKLRPMNNPE-GFCCVEGCSA-N 1 0 243.272 3.390 50 0 BGAARO C[C@@]1(Cc2ccccc2C(F)(F)F)CCC[NH2+]1 ZINC000124138726 388699202 /nfs/dbraw/zinc/69/92/02/388699202.db2.gz YWGJRKLRPMNNPE-LBPRGKRZSA-N 1 0 243.272 3.390 50 0 BGAARO Cc1cc(C[NH2+]CC(C)C)ccc1Cl ZINC000125465313 324642576 /nfs/dbraw/zinc/64/25/76/324642576.db2.gz OUVRUSGIKNHJKH-UHFFFAOYSA-N 1 0 211.736 3.394 50 0 BGAARO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000127560405 384915025 /nfs/dbraw/zinc/91/50/25/384915025.db2.gz DWZCEGNIGTVBDP-NWANDNLSSA-N 1 0 237.387 3.016 50 0 BGAARO C[C@@H](CO)[NH2+][C@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000127560637 384915209 /nfs/dbraw/zinc/91/52/09/384915209.db2.gz DWZCEGNIGTVBDP-CFVMTHIKSA-N 1 0 237.387 3.016 50 0 BGAARO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1C1=CCCCC1 ZINC000127560859 384914503 /nfs/dbraw/zinc/91/45/03/384914503.db2.gz DWZCEGNIGTVBDP-AEGPPILISA-N 1 0 237.387 3.016 50 0 BGAARO C[C@@H](CO)[NH2+][C@H]1CCCC[C@H]1C1=CCCCC1 ZINC000127561087 175758285 /nfs/dbraw/zinc/75/82/85/175758285.db2.gz DWZCEGNIGTVBDP-QEJZJMRPSA-N 1 0 237.387 3.016 50 0 BGAARO FCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127867790 180931748 /nfs/dbraw/zinc/93/17/48/180931748.db2.gz SPDPRCIIBSVRDS-UHFFFAOYSA-N 1 0 225.282 3.021 50 0 BGAARO Cc1nc(COc2cc(C)[nH+]c(C)c2)cs1 ZINC000128149394 322961255 /nfs/dbraw/zinc/96/12/55/322961255.db2.gz WVPMUHGZPOKQMO-UHFFFAOYSA-N 1 0 234.324 3.042 50 0 BGAARO CCc1noc(C)c1COc1cc(C)[nH+]c(C)c1 ZINC000128211105 172081340 /nfs/dbraw/zinc/08/13/40/172081340.db2.gz CWHYHCXANAWRBX-UHFFFAOYSA-N 1 0 246.310 3.136 50 0 BGAARO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCC1 ZINC000128478136 387748193 /nfs/dbraw/zinc/74/81/93/387748193.db2.gz QKZAJWIGGIVQIC-SMDDNHRTSA-N 1 0 231.339 3.288 50 0 BGAARO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCC1 ZINC000128478359 175916808 /nfs/dbraw/zinc/91/68/08/175916808.db2.gz QKZAJWIGGIVQIC-BXUZGUMPSA-N 1 0 231.339 3.288 50 0 BGAARO C[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CCC1 ZINC000128478600 387747923 /nfs/dbraw/zinc/74/79/23/387747923.db2.gz QKZAJWIGGIVQIC-FZMZJTMJSA-N 1 0 231.339 3.288 50 0 BGAARO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CCC1 ZINC000128478806 387748179 /nfs/dbraw/zinc/74/81/79/387748179.db2.gz QKZAJWIGGIVQIC-RISCZKNCSA-N 1 0 231.339 3.288 50 0 BGAARO Cc1ccc(C[NH2+]Cc2cc(F)ccc2C)cn1 ZINC000129031215 385709174 /nfs/dbraw/zinc/70/91/74/385709174.db2.gz SFDLMGLQFMTQPS-UHFFFAOYSA-N 1 0 244.313 3.127 50 0 BGAARO C[C@@H](CC1CCC1)[NH2+]Cc1ccccc1 ZINC000132060925 191023923 /nfs/dbraw/zinc/02/39/23/191023923.db2.gz GPIRAEFDRHWQHT-LBPRGKRZSA-N 1 0 203.329 3.355 50 0 BGAARO C[C@H](CC1CCC1)[NH2+]Cc1ccccc1 ZINC000132061128 191024302 /nfs/dbraw/zinc/02/43/02/191024302.db2.gz GPIRAEFDRHWQHT-GFCCVEGCSA-N 1 0 203.329 3.355 50 0 BGAARO Oc1ccc(C[NH+]2CCCCC2)cc1Cl ZINC000132495271 183269028 /nfs/dbraw/zinc/26/90/28/183269028.db2.gz NZYVTXMMWGRQNR-UHFFFAOYSA-N 1 0 225.719 3.032 50 0 BGAARO C[NH+](C)CCC(=O)c1ccc(C2CCC2)cc1 ZINC000133015904 323943781 /nfs/dbraw/zinc/94/37/81/323943781.db2.gz JGLYVSGBPUJGSX-UHFFFAOYSA-N 1 0 231.339 3.089 50 0 BGAARO Cc1cc(C)cc(-c2cc(C[NH2+]C(C)C)[nH]n2)c1 ZINC000133543061 538603692 /nfs/dbraw/zinc/60/36/92/538603692.db2.gz YETTZBVXJUGUIX-UHFFFAOYSA-N 1 0 243.354 3.192 50 0 BGAARO CSC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000133999315 388390939 /nfs/dbraw/zinc/39/09/39/388390939.db2.gz ARNVVDWHHHAUQK-IUCAKERBSA-N 1 0 215.387 3.150 50 0 BGAARO CSC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000133999525 175513908 /nfs/dbraw/zinc/51/39/08/175513908.db2.gz ARNVVDWHHHAUQK-BDAKNGLRSA-N 1 0 215.387 3.150 50 0 BGAARO CSC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000133999712 388391452 /nfs/dbraw/zinc/39/14/52/388391452.db2.gz ARNVVDWHHHAUQK-DTWKUNHWSA-N 1 0 215.387 3.150 50 0 BGAARO CSC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000133999938 388390971 /nfs/dbraw/zinc/39/09/71/388390971.db2.gz ARNVVDWHHHAUQK-RKDXNWHRSA-N 1 0 215.387 3.150 50 0 BGAARO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[NH2+]1 ZINC000134342809 343075518 /nfs/dbraw/zinc/07/55/18/343075518.db2.gz LPYMVZQWYOVQIU-GFCCVEGCSA-N 1 0 227.710 3.164 50 0 BGAARO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[NH2+]1 ZINC000134342826 343075576 /nfs/dbraw/zinc/07/55/76/343075576.db2.gz LPYMVZQWYOVQIU-LBPRGKRZSA-N 1 0 227.710 3.164 50 0 BGAARO CC[C@H]([NH2+]CCCF)c1ccccc1F ZINC000134593381 384373413 /nfs/dbraw/zinc/37/34/13/384373413.db2.gz OADYWCLILLTWAF-LBPRGKRZSA-N 1 0 213.271 3.226 50 0 BGAARO CC[C@@H]([NH2+]CCCF)c1ccccc1F ZINC000134593403 384372560 /nfs/dbraw/zinc/37/25/60/384372560.db2.gz OADYWCLILLTWAF-GFCCVEGCSA-N 1 0 213.271 3.226 50 0 BGAARO c1ccc(C2([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000134821122 183389465 /nfs/dbraw/zinc/38/94/65/183389465.db2.gz QDSFPCHSWLANCY-CYBMUJFWSA-N 1 0 233.380 3.161 50 0 BGAARO c1ccc(C2([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000134821142 183389703 /nfs/dbraw/zinc/38/97/03/183389703.db2.gz QDSFPCHSWLANCY-ZDUSSCGKSA-N 1 0 233.380 3.161 50 0 BGAARO Cc1cccc(C2CC([NH2+]CCCF)C2)c1 ZINC000134878593 188156402 /nfs/dbraw/zinc/15/64/02/188156402.db2.gz ALOKDIQDTCPPAL-UHFFFAOYSA-N 1 0 221.319 3.190 50 0 BGAARO C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000138951951 384594798 /nfs/dbraw/zinc/59/47/98/384594798.db2.gz WKGUELSFWIABNB-UHFFFAOYSA-N 1 0 230.286 3.026 50 0 BGAARO Fc1cc(C(F)(F)F)ccc1C1CC[NH2+]CC1 ZINC000141914241 368391870 /nfs/dbraw/zinc/39/18/70/368391870.db2.gz ZOVVKZZPQMXWED-UHFFFAOYSA-N 1 0 247.235 3.312 50 0 BGAARO C[C@@H]([NH3+])c1cccc(SC(F)(F)F)c1 ZINC000143356805 374170990 /nfs/dbraw/zinc/17/09/90/374170990.db2.gz DTWKAEAIXLKPOH-ZCFIWIBFSA-N 1 0 221.247 3.318 50 0 BGAARO C[C@H]([NH3+])c1cccc(SC(F)(F)F)c1 ZINC000143356954 344406660 /nfs/dbraw/zinc/40/66/60/344406660.db2.gz DTWKAEAIXLKPOH-LURJTMIESA-N 1 0 221.247 3.318 50 0 BGAARO Fc1cc(C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000143589003 384941285 /nfs/dbraw/zinc/94/12/85/384941285.db2.gz GVAMKXJAXZYEAW-UHFFFAOYSA-N 1 0 247.235 3.312 50 0 BGAARO CCOC(=O)CCCCCCCCCCC[NH3+] ZINC000144232961 368394148 /nfs/dbraw/zinc/39/41/48/368394148.db2.gz PATUZIMYRRFICT-UHFFFAOYSA-N 1 0 243.391 3.409 50 0 BGAARO Cc1csc(CCCNc2cccc(C)[nH+]2)n1 ZINC000157366181 179145466 /nfs/dbraw/zinc/14/54/66/179145466.db2.gz KMVUCJWWKAMIJJ-UHFFFAOYSA-N 1 0 247.367 3.200 50 0 BGAARO C[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000157687595 176102014 /nfs/dbraw/zinc/10/20/14/176102014.db2.gz OVLNJCLECPELON-CYBMUJFWSA-N 1 0 240.350 3.467 50 0 BGAARO C[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000157687731 177101009 /nfs/dbraw/zinc/10/10/09/177101009.db2.gz OVLNJCLECPELON-ZDUSSCGKSA-N 1 0 240.350 3.467 50 0 BGAARO CCCC[N@H+](C)C/C=C/c1ccccc1OC ZINC000158160892 326310285 /nfs/dbraw/zinc/31/02/85/326310285.db2.gz DIHCWWPKLUGUBM-CSKARUKUSA-N 1 0 233.355 3.440 50 0 BGAARO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000159361595 350067763 /nfs/dbraw/zinc/06/77/63/350067763.db2.gz PFNKOELXWPCNEL-SCRDCRAPSA-N 1 0 218.344 3.311 50 0 BGAARO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000159361890 171001273 /nfs/dbraw/zinc/00/12/73/171001273.db2.gz PFNKOELXWPCNEL-OUCADQQQSA-N 1 0 218.344 3.311 50 0 BGAARO C1CS[C@@]2(CC[C@H]3CCCC[C@@H]3C2)[NH2+]1 ZINC000169615697 385415046 /nfs/dbraw/zinc/41/50/46/385415046.db2.gz QGBHEKOPFUSDOP-IJLUTSLNSA-N 1 0 211.374 3.009 50 0 BGAARO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000170043133 175303124 /nfs/dbraw/zinc/30/31/24/175303124.db2.gz SPGVJVWLDZCSHH-XHDPSFHLSA-N 1 0 245.366 3.461 50 0 BGAARO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000170043137 175302990 /nfs/dbraw/zinc/30/29/90/175302990.db2.gz SPGVJVWLDZCSHH-IAQYHMDHSA-N 1 0 245.366 3.461 50 0 BGAARO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000170043141 175302684 /nfs/dbraw/zinc/30/26/84/175302684.db2.gz SPGVJVWLDZCSHH-NHYWBVRUSA-N 1 0 245.366 3.461 50 0 BGAARO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C1CCC1 ZINC000170043146 175302265 /nfs/dbraw/zinc/30/22/65/175302265.db2.gz SPGVJVWLDZCSHH-ABAIWWIYSA-N 1 0 245.366 3.461 50 0 BGAARO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(C)c1C ZINC000170089026 388258301 /nfs/dbraw/zinc/25/83/01/388258301.db2.gz IYVYRXHITOJRHB-MRXNPFEDSA-N 1 0 247.382 3.040 50 0 BGAARO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C)c1C ZINC000170089029 171213557 /nfs/dbraw/zinc/21/35/57/171213557.db2.gz IYVYRXHITOJRHB-INIZCTEOSA-N 1 0 247.382 3.040 50 0 BGAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCO[C@H](C)C1 ZINC000170592983 361764217 /nfs/dbraw/zinc/76/42/17/361764217.db2.gz VEYNQOZLHHUDOQ-MGPQQGTHSA-N 1 0 225.376 3.066 50 0 BGAARO C[C@@H](C1CC1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000170602804 361788788 /nfs/dbraw/zinc/78/87/88/361788788.db2.gz HEWRNVGQHWTSPS-ZDUSSCGKSA-N 1 0 237.387 3.210 50 0 BGAARO C[C@H](C1CC1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000170602805 361788618 /nfs/dbraw/zinc/78/86/18/361788618.db2.gz HEWRNVGQHWTSPS-CYBMUJFWSA-N 1 0 237.387 3.210 50 0 BGAARO Cc1ccc(CC[N@H+]2CCSCC[C@@H]2C)cc1 ZINC000170616726 361881246 /nfs/dbraw/zinc/88/12/46/361881246.db2.gz FUYXVTJEQSRJES-AWEZNQCLSA-N 1 0 249.423 3.365 50 0 BGAARO Cc1ccc(CC[N@H+]2CCSCC[C@H]2C)cc1 ZINC000170616727 361881287 /nfs/dbraw/zinc/88/12/87/361881287.db2.gz FUYXVTJEQSRJES-CQSZACIVSA-N 1 0 249.423 3.365 50 0 BGAARO CCC[C@@](C)(CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000170632737 363010211 /nfs/dbraw/zinc/01/02/11/363010211.db2.gz ASVGDIZMKCPQSF-INIZCTEOSA-N 1 0 249.398 3.253 50 0 BGAARO CCC[C@](C)(CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000170632738 363009760 /nfs/dbraw/zinc/00/97/60/363009760.db2.gz ASVGDIZMKCPQSF-MRXNPFEDSA-N 1 0 249.398 3.253 50 0 BGAARO CCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000170639847 169086535 /nfs/dbraw/zinc/08/65/35/169086535.db2.gz QIAZITDQGOOBER-KGLIPLIRSA-N 1 0 239.403 3.456 50 0 BGAARO CCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000170639849 169088606 /nfs/dbraw/zinc/08/86/06/169088606.db2.gz QIAZITDQGOOBER-KBPBESRZSA-N 1 0 239.403 3.456 50 0 BGAARO Clc1ccc(C[NH2+]C(C2CC2)C2CC2)cn1 ZINC000170646236 363526639 /nfs/dbraw/zinc/52/66/39/363526639.db2.gz WBIWTODZYJAFHD-UHFFFAOYSA-N 1 0 236.746 3.013 50 0 BGAARO Cc1ccc(C[C@@H](C)[N@H+](C)CCC(C)(C)O)cc1 ZINC000170653741 388682239 /nfs/dbraw/zinc/68/22/39/388682239.db2.gz KYFVJLUHGWFLPZ-CQSZACIVSA-N 1 0 249.398 3.019 50 0 BGAARO Cc1ccc(C[C@H](C)[N@H+](C)CCC(C)(C)O)cc1 ZINC000170653742 178651750 /nfs/dbraw/zinc/65/17/50/178651750.db2.gz KYFVJLUHGWFLPZ-AWEZNQCLSA-N 1 0 249.398 3.019 50 0 BGAARO Cc1ccccc1CCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000170665582 179261215 /nfs/dbraw/zinc/26/12/15/179261215.db2.gz XYXKFEYDRKZHGA-CVEARBPZSA-N 1 0 229.367 3.412 50 0 BGAARO Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000170665585 179261369 /nfs/dbraw/zinc/26/13/69/179261369.db2.gz XYXKFEYDRKZHGA-HOTGVXAUSA-N 1 0 229.367 3.412 50 0 BGAARO C[C@@H](C[N@H+](C)Cc1nccs1)c1ccccc1 ZINC000175106532 384869352 /nfs/dbraw/zinc/86/93/52/384869352.db2.gz LBUOQRKFYLQKOC-LBPRGKRZSA-N 1 0 246.379 3.379 50 0 BGAARO C[C@H](C[N@H+](C)Cc1nccs1)c1ccccc1 ZINC000175106550 384869952 /nfs/dbraw/zinc/86/99/52/384869952.db2.gz LBUOQRKFYLQKOC-GFCCVEGCSA-N 1 0 246.379 3.379 50 0 BGAARO Cc1ncc(C[N@H+](C)C[C@H]2CC=CCC2)s1 ZINC000179381021 180138189 /nfs/dbraw/zinc/13/81/89/180138189.db2.gz VAYYZLWFBZTAHL-LBPRGKRZSA-N 1 0 236.384 3.240 50 0 BGAARO Cc1ncc(C[N@H+](C)C[C@@H]2CC=CCC2)s1 ZINC000179381031 180136531 /nfs/dbraw/zinc/13/65/31/180136531.db2.gz VAYYZLWFBZTAHL-GFCCVEGCSA-N 1 0 236.384 3.240 50 0 BGAARO CC[C@@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000179816600 346998752 /nfs/dbraw/zinc/99/87/52/346998752.db2.gz ZBTQGXAWDGPNME-CQSZACIVSA-N 1 0 249.402 3.476 50 0 BGAARO CC[C@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000179816611 385491855 /nfs/dbraw/zinc/49/18/55/385491855.db2.gz ZBTQGXAWDGPNME-AWEZNQCLSA-N 1 0 249.402 3.476 50 0 BGAARO CC(C)=CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181576324 187227947 /nfs/dbraw/zinc/22/79/47/187227947.db2.gz YDPWTRPHVUITSW-NSHDSACASA-N 1 0 205.301 3.009 50 0 BGAARO Cc1cc(N2CCC[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000185525017 386579163 /nfs/dbraw/zinc/57/91/63/386579163.db2.gz AFJDTPPXTRKKNY-JTQLQIEISA-N 1 0 244.260 3.169 50 0 BGAARO Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000185525039 386578760 /nfs/dbraw/zinc/57/87/60/386578760.db2.gz AFJDTPPXTRKKNY-SNVBAGLBSA-N 1 0 244.260 3.169 50 0 BGAARO Cc1cc(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)on1 ZINC000187208097 168101392 /nfs/dbraw/zinc/10/13/92/168101392.db2.gz GKPLHSIUHBRZHP-RISCZKNCSA-N 1 0 234.343 3.065 50 0 BGAARO Cc1cc(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)on1 ZINC000187208135 168104988 /nfs/dbraw/zinc/10/49/88/168104988.db2.gz GKPLHSIUHBRZHP-FZMZJTMJSA-N 1 0 234.343 3.065 50 0 BGAARO Cc1cc(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)on1 ZINC000187208161 168103411 /nfs/dbraw/zinc/10/34/11/168103411.db2.gz GKPLHSIUHBRZHP-SMDDNHRTSA-N 1 0 234.343 3.065 50 0 BGAARO CC[NH+](CC)Cc1cc(F)ccc1Cl ZINC000188805022 385091894 /nfs/dbraw/zinc/09/18/94/385091894.db2.gz AOIBPHWDFUZGCB-UHFFFAOYSA-N 1 0 215.699 3.321 50 0 BGAARO Fc1ccc(Cl)c(C[NH+]2CCCC2)c1 ZINC000188808963 385095578 /nfs/dbraw/zinc/09/55/78/385095578.db2.gz XKYJNCWUIRULKP-UHFFFAOYSA-N 1 0 213.683 3.075 50 0 BGAARO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccco2)C1 ZINC000190963492 387044356 /nfs/dbraw/zinc/04/43/56/387044356.db2.gz ONJXQXIWQZYZMK-IUODEOHRSA-N 1 0 242.322 3.258 50 0 BGAARO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccco2)C1 ZINC000190963506 177375464 /nfs/dbraw/zinc/37/54/64/177375464.db2.gz ONJXQXIWQZYZMK-SWLSCSKDSA-N 1 0 242.322 3.258 50 0 BGAARO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccco2)C1 ZINC000190963522 387043990 /nfs/dbraw/zinc/04/39/90/387043990.db2.gz ONJXQXIWQZYZMK-DOMZBBRYSA-N 1 0 242.322 3.258 50 0 BGAARO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccco2)C1 ZINC000190963534 177339002 /nfs/dbraw/zinc/33/90/02/177339002.db2.gz ONJXQXIWQZYZMK-WFASDCNBSA-N 1 0 242.322 3.258 50 0 BGAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(C)CCOCC1 ZINC000191109351 168101508 /nfs/dbraw/zinc/10/15/08/168101508.db2.gz WJQACTKPRXPWDG-KGLIPLIRSA-N 1 0 237.387 3.138 50 0 BGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(C)CCOCC1 ZINC000191109370 168103441 /nfs/dbraw/zinc/10/34/41/168103441.db2.gz WJQACTKPRXPWDG-KBPBESRZSA-N 1 0 237.387 3.138 50 0 BGAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(C)CCOCC1 ZINC000191109384 168101657 /nfs/dbraw/zinc/10/16/57/168101657.db2.gz WJQACTKPRXPWDG-ZIAGYGMSSA-N 1 0 237.387 3.138 50 0 BGAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(C)CCOCC1 ZINC000191109405 168103849 /nfs/dbraw/zinc/10/38/49/168103849.db2.gz WJQACTKPRXPWDG-UONOGXRCSA-N 1 0 237.387 3.138 50 0 BGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000191110151 168104088 /nfs/dbraw/zinc/10/40/88/168104088.db2.gz UUVBEIWDKHLIKD-ZNMIVQPWSA-N 1 0 237.387 3.138 50 0 BGAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000191110177 168103253 /nfs/dbraw/zinc/10/32/53/168103253.db2.gz UUVBEIWDKHLIKD-RRFJBIMHSA-N 1 0 237.387 3.138 50 0 BGAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nccs1 ZINC000192391009 176052596 /nfs/dbraw/zinc/05/25/96/176052596.db2.gz JRPPSBCPNMNQKV-ZJUUUORDSA-N 1 0 224.373 3.057 50 0 BGAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nccs1 ZINC000192391014 176052552 /nfs/dbraw/zinc/05/25/52/176052552.db2.gz JRPPSBCPNMNQKV-NXEZZACHSA-N 1 0 224.373 3.057 50 0 BGAARO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nccs1 ZINC000192391017 177063853 /nfs/dbraw/zinc/06/38/53/177063853.db2.gz JRPPSBCPNMNQKV-VHSXEESVSA-N 1 0 224.373 3.057 50 0 BGAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1nccs1 ZINC000192391256 176051704 /nfs/dbraw/zinc/05/17/04/176051704.db2.gz UBZWWOKBVSEHAD-MNOVXSKESA-N 1 0 238.400 3.100 50 0 BGAARO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1nccs1 ZINC000192391259 177063939 /nfs/dbraw/zinc/06/39/39/177063939.db2.gz UBZWWOKBVSEHAD-QWRGUYRKSA-N 1 0 238.400 3.100 50 0 BGAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1nccs1 ZINC000192391261 176052529 /nfs/dbraw/zinc/05/25/29/176052529.db2.gz UBZWWOKBVSEHAD-GHMZBOCLSA-N 1 0 238.400 3.100 50 0 BGAARO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1nccs1 ZINC000192391265 177063652 /nfs/dbraw/zinc/06/36/52/177063652.db2.gz UBZWWOKBVSEHAD-WDEREUQCSA-N 1 0 238.400 3.100 50 0 BGAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cscn1 ZINC000192391327 176051254 /nfs/dbraw/zinc/05/12/54/176051254.db2.gz ZCANNTWZCNKBDG-PWSUYJOCSA-N 1 0 238.400 3.100 50 0 BGAARO 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203.329 3.322 50 0 BGAARO C[C@@H](c1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000235580516 582595707 /nfs/dbraw/zinc/59/57/07/582595707.db2.gz RYPRWIHCYUTYSO-GXTWGEPZSA-N 1 0 203.329 3.322 50 0 BGAARO [NH3+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000238560350 343076690 /nfs/dbraw/zinc/07/66/90/343076690.db2.gz VWENPVQCMDTNIK-UHFFFAOYSA-N 1 0 246.535 3.050 50 0 BGAARO [NH3+][C@H]1CCCCc2cc(Br)ccc21 ZINC000238561159 387033198 /nfs/dbraw/zinc/03/31/98/387033198.db2.gz AFDXZIWLADRNIM-NSHDSACASA-N 1 0 240.144 3.175 50 0 BGAARO [NH3+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000238580959 387032803 /nfs/dbraw/zinc/03/28/03/387032803.db2.gz AFDXZIWLADRNIM-LLVKDONJSA-N 1 0 240.144 3.175 50 0 BGAARO CCCC[N@@H+]1C[C@@H]2CC=C(Cl)C[C@H]2C1 ZINC000239386654 520599717 /nfs/dbraw/zinc/59/97/17/520599717.db2.gz PVRVHWLEIQVCSY-QWRGUYRKSA-N 1 0 213.752 3.251 50 0 BGAARO C[NH2+]C[C@@H]1O[C@@H]2CCCC[C@H]2c2sccc21 ZINC000239412467 173372572 /nfs/dbraw/zinc/37/25/72/173372572.db2.gz SSQGFXDMCNKSBL-JLLWLGSASA-N 1 0 237.368 3.065 50 0 BGAARO 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3.275 50 0 BGAARO C[C@@H]1C[N@H+](Cc2cccnc2)[C@H]1c1ccccc1 ZINC000245435552 387945303 /nfs/dbraw/zinc/94/53/03/387945303.db2.gz QLSPNQLJOCQGOJ-CZUORRHYSA-N 1 0 238.334 3.275 50 0 BGAARO C[C@H]1C[N@H+](Cc2cccnc2)[C@H]1c1ccccc1 ZINC000245435553 387946330 /nfs/dbraw/zinc/94/63/30/387946330.db2.gz QLSPNQLJOCQGOJ-XJKSGUPXSA-N 1 0 238.334 3.275 50 0 BGAARO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000247043830 179337700 /nfs/dbraw/zinc/33/77/00/179337700.db2.gz QDENVOWRQYNNAR-OFQRWUPVSA-N 1 0 247.382 3.197 50 0 BGAARO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000247043843 179337160 /nfs/dbraw/zinc/33/71/60/179337160.db2.gz QDENVOWRQYNNAR-SQWLQELKSA-N 1 0 247.382 3.197 50 0 BGAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000247077359 343063744 /nfs/dbraw/zinc/06/37/44/343063744.db2.gz OPWFBCCYPNIVJA-GRYCIOLGSA-N 1 0 245.432 3.064 50 0 BGAARO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000247077371 343063679 /nfs/dbraw/zinc/06/36/79/343063679.db2.gz 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ZINC000249544736 388130139 /nfs/dbraw/zinc/13/01/39/388130139.db2.gz JZEKZNXUMHZTMM-BYCMXARLSA-N 1 0 249.354 3.000 50 0 BGAARO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)[C@@H]1CCCO1 ZINC000249544737 388130411 /nfs/dbraw/zinc/13/04/11/388130411.db2.gz JZEKZNXUMHZTMM-UGFHNGPFSA-N 1 0 249.354 3.000 50 0 BGAARO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000251692547 344191751 /nfs/dbraw/zinc/19/17/51/344191751.db2.gz ILDKSLJNKXGJRY-APIJFGDWSA-N 1 0 239.403 3.096 50 0 BGAARO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000251692551 362899224 /nfs/dbraw/zinc/89/92/24/362899224.db2.gz ILDKSLJNKXGJRY-CBBWQLFWSA-N 1 0 239.403 3.096 50 0 BGAARO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000251692556 362899946 /nfs/dbraw/zinc/89/99/46/362899946.db2.gz ILDKSLJNKXGJRY-KBXIAJHMSA-N 1 0 239.403 3.096 50 0 BGAARO CCc1cnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)o1 ZINC000252370621 398301522 /nfs/dbraw/zinc/30/15/22/398301522.db2.gz YLBYNWNNMBJWRE-DGCLKSJQSA-N 1 0 234.343 3.002 50 0 BGAARO CCc1cnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)o1 ZINC000252370622 398301659 /nfs/dbraw/zinc/30/16/59/398301659.db2.gz YLBYNWNNMBJWRE-WCQYABFASA-N 1 0 234.343 3.002 50 0 BGAARO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000252485352 167368252 /nfs/dbraw/zinc/36/82/52/167368252.db2.gz GRXYPVGCBAXWGY-LLVKDONJSA-N 1 0 238.375 3.448 50 0 BGAARO CC(C)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000252485353 188020814 /nfs/dbraw/zinc/02/08/14/188020814.db2.gz GRXYPVGCBAXWGY-NSHDSACASA-N 1 0 238.375 3.448 50 0 BGAARO CC(C)[N@H+](CCCCCF)C1CCOCC1 ZINC000252502218 388378732 /nfs/dbraw/zinc/37/87/32/388378732.db2.gz UNRPKGYFVQASDH-UHFFFAOYSA-N 1 0 231.355 3.016 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1C ZINC000252510780 524409072 /nfs/dbraw/zinc/40/90/72/524409072.db2.gz BKFITVRKDCKJJD-RFGFWPKPSA-N 1 0 241.419 3.198 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1C ZINC000252510781 524410728 /nfs/dbraw/zinc/41/07/28/524410728.db2.gz BKFITVRKDCKJJD-YIYPIFLZSA-N 1 0 241.419 3.198 50 0 BGAARO C[C@@H]1CCC[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1C ZINC000252510782 524411023 /nfs/dbraw/zinc/41/10/23/524411023.db2.gz BKFITVRKDCKJJD-ZOBORPQBSA-N 1 0 241.419 3.198 50 0 BGAARO CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCO[C@H](C)C1 ZINC000252516613 523174536 /nfs/dbraw/zinc/17/45/36/523174536.db2.gz VEYNQOZLHHUDOQ-HZSPNIEDSA-N 1 0 225.376 3.066 50 0 BGAARO CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCO[C@@H](C)C1 ZINC000252516614 523174874 /nfs/dbraw/zinc/17/48/74/523174874.db2.gz VEYNQOZLHHUDOQ-MELADBBJSA-N 1 0 225.376 3.066 50 0 BGAARO CCS[C@@H]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000253393448 398279164 /nfs/dbraw/zinc/27/91/64/398279164.db2.gz NYQRONLGECOGMV-GRYCIOLGSA-N 1 0 245.457 3.003 50 0 BGAARO CCS[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000253393449 398279296 /nfs/dbraw/zinc/27/92/96/398279296.db2.gz NYQRONLGECOGMV-IJLUTSLNSA-N 1 0 245.457 3.003 50 0 BGAARO Cc1ccc(C(C)(C)[NH2+]C2CCCC2)cn1 ZINC000253393609 398279170 /nfs/dbraw/zinc/27/91/70/398279170.db2.gz UXSNGMOOQXWPHW-UHFFFAOYSA-N 1 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BGAARO C[C@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000258933521 635225430 /nfs/dbraw/zinc/22/54/30/635225430.db2.gz QVFLKCSUBFJVKO-JTQLQIEISA-N 1 0 213.280 3.079 50 0 BGAARO C[C@@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000258933524 631686590 /nfs/dbraw/zinc/68/65/90/631686590.db2.gz QVFLKCSUBFJVKO-SNVBAGLBSA-N 1 0 213.280 3.079 50 0 BGAARO C[C@@H]1C[C@@H](C)[C@](O)(c2ccccc2)C(C)(C)[N@@H+]1C ZINC000261361542 371059987 /nfs/dbraw/zinc/05/99/87/371059987.db2.gz NYYYKYZRBDJDOM-IOASZLSFSA-N 1 0 247.382 3.013 50 0 BGAARO C[C@@H]1C[C@H](C)[C@](O)(c2ccccc2)C(C)(C)[N@@H+]1C ZINC000261361543 371059578 /nfs/dbraw/zinc/05/95/78/371059578.db2.gz NYYYKYZRBDJDOM-ZENOOKHLSA-N 1 0 247.382 3.013 50 0 BGAARO CC[NH2+]Cc1c(Cl)cccc1Br ZINC000261494019 170124386 /nfs/dbraw/zinc/12/43/86/170124386.db2.gz OBMJSWAOMQUDTL-UHFFFAOYSA-N 1 0 248.551 3.212 50 0 BGAARO NC(=[NH2+])SCc1cccc(-c2ccccc2)c1 ZINC000263615018 181193130 /nfs/dbraw/zinc/19/31/30/181193130.db2.gz AECPRLXJDXVNKH-UHFFFAOYSA-N 1 0 242.347 3.480 50 0 BGAARO [NH3+]Cc1cc(Cl)c(OC(F)F)cc1Cl ZINC000263623277 386158001 /nfs/dbraw/zinc/15/80/01/386158001.db2.gz GECIQCOOIGWIFR-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1cc(Cl)cc(OC(F)F)c1Cl ZINC000263623624 386157213 /nfs/dbraw/zinc/15/72/13/386157213.db2.gz JDGURMKMSDBZFR-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000263623653 386156956 /nfs/dbraw/zinc/15/69/56/386156956.db2.gz JJKXJBHBSCZJTR-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1c(Cl)c(Cl)ccc1OC(F)F ZINC000263623705 386157498 /nfs/dbraw/zinc/15/74/98/386157498.db2.gz JXFFLJCIKZAZMX-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1c(Cl)ccc(Cl)c1OC(F)F ZINC000263623871 386157412 /nfs/dbraw/zinc/15/74/12/386157412.db2.gz LLEYKZPXIVCTPY-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1c(Cl)cc(Cl)cc1OC(F)F ZINC000263624055 386156746 /nfs/dbraw/zinc/15/67/46/386156746.db2.gz NBAVJXRZNZWFFH-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1ccc(Cl)c(Cl)c1OC(F)F ZINC000263624282 386156903 /nfs/dbraw/zinc/15/69/03/386156903.db2.gz OYQQKRJTRFHCNA-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1ccc(Cl)c(OC(F)F)c1Cl ZINC000263624306 386157689 /nfs/dbraw/zinc/15/76/89/386157689.db2.gz PEFOTWRQOOCUBK-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1cc(OC(F)F)c(Cl)cc1Cl ZINC000263624346 386157169 /nfs/dbraw/zinc/15/71/69/386157169.db2.gz PNHKGLVKSDMKEE-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1cc(OC(F)F)cc(Cl)c1Cl ZINC000263624395 386157477 /nfs/dbraw/zinc/15/74/77/386157477.db2.gz QBVJQBIPTONLAU-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1cc(Cl)c(Cl)cc1OC(F)F ZINC000263624514 386159927 /nfs/dbraw/zinc/15/99/27/386159927.db2.gz RFPMLYGHBRPVLR-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1c(Cl)ccc(OC(F)F)c1Cl ZINC000263624588 181472049 /nfs/dbraw/zinc/47/20/49/181472049.db2.gz RUNFIUBNLYVZNQ-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000263624641 386159457 /nfs/dbraw/zinc/15/94/57/386159457.db2.gz SFLHATNCGQVOLU-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1ccc(OC(F)F)c(Cl)c1Cl ZINC000263625139 386159721 /nfs/dbraw/zinc/15/97/21/386159721.db2.gz XCXWNEQQPVTECU-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO [NH3+]Cc1c(Cl)cc(OC(F)F)cc1Cl ZINC000263625308 386158879 /nfs/dbraw/zinc/15/88/79/386158879.db2.gz YPONWGIFHFPDQG-UHFFFAOYSA-N 1 0 242.052 3.054 50 0 BGAARO FC(F)(F)C1CC[NH+](Cc2ccco2)CC1 ZINC000271046531 384721085 /nfs/dbraw/zinc/72/10/85/384721085.db2.gz RDPTUDNLZXEKQL-UHFFFAOYSA-N 1 0 233.233 3.054 50 0 BGAARO Cc1cc(N2CCc3sccc3C2)cc[nH+]1 ZINC000274353814 132202808 /nfs/dbraw/zinc/20/28/08/132202808.db2.gz LDCLSVXPEVRMRO-UHFFFAOYSA-N 1 0 230.336 3.014 50 0 BGAARO CCc1nc(CCNc2cc[nH+]c(C)c2)cs1 ZINC000274784068 343278827 /nfs/dbraw/zinc/27/88/27/343278827.db2.gz FKNTZOAKTHABNU-UHFFFAOYSA-N 1 0 247.367 3.064 50 0 BGAARO CC(C)([NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC000276414234 386320048 /nfs/dbraw/zinc/32/00/48/386320048.db2.gz WBTDUJKARAKMAN-UHFFFAOYSA-N 1 0 244.313 3.246 50 0 BGAARO c1ncc(C[N@@H+]2CCCC[C@H]2c2ccccc2)[nH]1 ZINC000280325874 388781999 /nfs/dbraw/zinc/78/19/99/388781999.db2.gz YZPPVTLPTTVYDE-HNNXBMFYSA-N 1 0 241.338 3.137 50 0 BGAARO c1ncc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)[nH]1 ZINC000280325876 388781360 /nfs/dbraw/zinc/78/13/60/388781360.db2.gz YZPPVTLPTTVYDE-OAHLLOKOSA-N 1 0 241.338 3.137 50 0 BGAARO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000281866928 188267779 /nfs/dbraw/zinc/26/77/79/188267779.db2.gz CJMDMDIOPXLHMR-RPHSKFLZSA-N 1 0 241.338 3.164 50 0 BGAARO C/C(=C\c1ccccc1)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000281866930 387490786 /nfs/dbraw/zinc/49/07/86/387490786.db2.gz CJMDMDIOPXLHMR-YQCJOKCJSA-N 1 0 241.338 3.164 50 0 BGAARO COCC1(C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC000282076298 174102961 /nfs/dbraw/zinc/10/29/61/174102961.db2.gz QWPBVMNRQUYGGC-WEVVVXLNSA-N 1 0 245.366 3.106 50 0 BGAARO c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282792596 487981801 /nfs/dbraw/zinc/98/18/01/487981801.db2.gz WOJBVIIQXGUSIE-HNNXBMFYSA-N 1 0 245.366 3.126 50 0 BGAARO c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282792599 487981969 /nfs/dbraw/zinc/98/19/69/487981969.db2.gz WOJBVIIQXGUSIE-OAHLLOKOSA-N 1 0 245.366 3.126 50 0 BGAARO Fc1ccccc1[C@@H]1C[NH2+]Cc2ccccc2O1 ZINC000299784431 386489234 /nfs/dbraw/zinc/48/92/34/386489234.db2.gz GTPSTQJWSMKFEG-HNNXBMFYSA-N 1 0 243.281 3.049 50 0 BGAARO Fc1ccccc1[C@H]1C[NH2+]Cc2ccccc2O1 ZINC000299784445 181015846 /nfs/dbraw/zinc/01/58/46/181015846.db2.gz GTPSTQJWSMKFEG-OAHLLOKOSA-N 1 0 243.281 3.049 50 0 BGAARO c1ccc([C@H]2[NH2+]CC23CCCCC3)cc1 ZINC000299805400 635891703 /nfs/dbraw/zinc/89/17/03/635891703.db2.gz MPADXOGTSKTMMS-CYBMUJFWSA-N 1 0 201.313 3.281 50 0 BGAARO c1ccc([C@@H]2[NH2+]CC23CCCCC3)cc1 ZINC000299805401 635892320 /nfs/dbraw/zinc/89/23/20/635892320.db2.gz MPADXOGTSKTMMS-ZDUSSCGKSA-N 1 0 201.313 3.281 50 0 BGAARO C[C@H](CC[N@@H+]1CCCC[C@H]1CO)c1ccccc1 ZINC000299872738 343279901 /nfs/dbraw/zinc/27/99/01/343279901.db2.gz BGANQIAXOIFQLM-ZBFHGGJFSA-N 1 0 247.382 3.027 50 0 BGAARO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000300358530 533951969 /nfs/dbraw/zinc/95/19/69/533951969.db2.gz IASYHQUOWUOGQX-GRYCIOLGSA-N 1 0 245.457 3.146 50 0 BGAARO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000300358531 533960673 /nfs/dbraw/zinc/96/06/73/533960673.db2.gz IASYHQUOWUOGQX-SDDRHHMPSA-N 1 0 245.457 3.146 50 0 BGAARO c1ccc(C[NH2+][C@H]2CC23CCCCC3)cc1 ZINC000307062245 384164241 /nfs/dbraw/zinc/16/42/41/384164241.db2.gz GDEWBGFZLYXYRZ-AWEZNQCLSA-N 1 0 215.340 3.499 50 0 BGAARO c1ccc(C[NH2+][C@@H]2CC23CCCCC3)cc1 ZINC000307062246 259303137 /nfs/dbraw/zinc/30/31/37/259303137.db2.gz GDEWBGFZLYXYRZ-CQSZACIVSA-N 1 0 215.340 3.499 50 0 BGAARO c1ccc2c(c1)CC(C[NH+]1CC3(C1)CCCC3)C2 ZINC000328595631 388738313 /nfs/dbraw/zinc/73/83/13/388738313.db2.gz ZNZOTMRFQDTQRY-UHFFFAOYSA-N 1 0 241.378 3.277 50 0 BGAARO CC1(C)N(O)C=C(c2ccccc2)[N+](=O)C1(C)C ZINC000334157352 520587980 /nfs/dbraw/zinc/58/79/80/520587980.db2.gz YBTOOFLYMUSDHN-UHFFFAOYSA-N 1 0 247.318 3.026 50 0 BGAARO CCC1=CN(C)/C(=C/C=C2/C=C[NH+]=C2)C=C1 ZINC000334159079 135322105 /nfs/dbraw/zinc/32/21/05/135322105.db2.gz GFERYUDVJDMIDQ-GAVSQBHUSA-N 1 0 212.296 3.190 50 0 BGAARO CCC1=CN(C)/C(=C/C=C2\C=C[NH+]=C2)C=C1 ZINC000334159080 135322115 /nfs/dbraw/zinc/32/21/15/135322115.db2.gz GFERYUDVJDMIDQ-XSYSANKLSA-N 1 0 212.296 3.190 50 0 BGAARO CC1(C)[C@H](CC[NH3+])[C@@H]1c1cc2ccccc2[nH]1 ZINC000334162947 520651245 /nfs/dbraw/zinc/65/12/45/520651245.db2.gz IOFVCEYFMLOXMV-BXUZGUMPSA-N 1 0 228.339 3.256 50 0 BGAARO CC1(C)[C@H](c2cc3ccccc3[nH]2)[C@@H]1CC[NH3+] ZINC000334162948 520682275 /nfs/dbraw/zinc/68/22/75/520682275.db2.gz IOFVCEYFMLOXMV-FZMZJTMJSA-N 1 0 228.339 3.256 50 0 BGAARO CC1(C)[C@H](CC[NH3+])[C@H]1c1cc2ccccc2[nH]1 ZINC000334162949 520650429 /nfs/dbraw/zinc/65/04/29/520650429.db2.gz IOFVCEYFMLOXMV-RISCZKNCSA-N 1 0 228.339 3.256 50 0 BGAARO CC1(C)[C@@H](CC[NH3+])[C@@H]1c1cc2ccccc2[nH]1 ZINC000334162950 520629336 /nfs/dbraw/zinc/62/93/36/520629336.db2.gz IOFVCEYFMLOXMV-SMDDNHRTSA-N 1 0 228.339 3.256 50 0 BGAARO c1c[nH]c([C@H]2CCC[N@@H+](CC3=CCCCC3)C2)n1 ZINC000335575165 136110880 /nfs/dbraw/zinc/11/08/80/136110880.db2.gz JSCDOFSOEMTFEG-AWEZNQCLSA-N 1 0 245.370 3.090 50 0 BGAARO c1c[nH]c([C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)n1 ZINC000335575166 136110754 /nfs/dbraw/zinc/11/07/54/136110754.db2.gz JSCDOFSOEMTFEG-CQSZACIVSA-N 1 0 245.370 3.090 50 0 BGAARO CC1(C)CC[C@@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000336328041 342803553 /nfs/dbraw/zinc/80/35/53/342803553.db2.gz PXEPGANQAXUEJB-CHWSQXEVSA-N 1 0 247.386 3.168 50 0 BGAARO CC1(C)CC[C@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000336328042 384213333 /nfs/dbraw/zinc/21/33/33/384213333.db2.gz PXEPGANQAXUEJB-OLZOCXBDSA-N 1 0 247.386 3.168 50 0 BGAARO CC1(C)CC[C@@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000336328043 342803450 /nfs/dbraw/zinc/80/34/50/342803450.db2.gz PXEPGANQAXUEJB-QWHCGFSZSA-N 1 0 247.386 3.168 50 0 BGAARO CC1(C)CC[C@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000336328044 384212559 /nfs/dbraw/zinc/21/25/59/384212559.db2.gz PXEPGANQAXUEJB-STQMWFEESA-N 1 0 247.386 3.168 50 0 BGAARO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccsc1 ZINC000340446873 384969087 /nfs/dbraw/zinc/96/90/87/384969087.db2.gz QDUHDHCTRUFJPZ-NXEZZACHSA-N 1 0 248.351 3.261 50 0 BGAARO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccsc1 ZINC000340446874 384969622 /nfs/dbraw/zinc/96/96/22/384969622.db2.gz QDUHDHCTRUFJPZ-UWVGGRQHSA-N 1 0 248.351 3.261 50 0 BGAARO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccsc1 ZINC000340446875 384969904 /nfs/dbraw/zinc/96/99/04/384969904.db2.gz QDUHDHCTRUFJPZ-VHSXEESVSA-N 1 0 248.351 3.261 50 0 BGAARO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cc[nH]c(=O)c1 ZINC000340446876 384968330 /nfs/dbraw/zinc/96/83/30/384968330.db2.gz QDUHDHCTRUFJPZ-ZJUUUORDSA-N 1 0 248.351 3.261 50 0 BGAARO Fc1ccccc1OCC[NH2+]C[C@@H]1CC=CCC1 ZINC000346728029 135971123 /nfs/dbraw/zinc/97/11/23/135971123.db2.gz BBPXHDZARJMAHB-CYBMUJFWSA-N 1 0 249.329 3.150 50 0 BGAARO Fc1ccccc1OCC[NH2+]C[C@H]1CC=CCC1 ZINC000346728030 135971094 /nfs/dbraw/zinc/97/10/94/135971094.db2.gz BBPXHDZARJMAHB-ZDUSSCGKSA-N 1 0 249.329 3.150 50 0 BGAARO COC1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC000350184489 355621830 /nfs/dbraw/zinc/62/18/30/355621830.db2.gz GMACSPFGYLSHAZ-UHFFFAOYSA-N 1 0 247.382 3.372 50 0 BGAARO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)CCO1 ZINC000352722966 384691733 /nfs/dbraw/zinc/69/17/33/384691733.db2.gz ONQNIRTUGAXORU-CVEARBPZSA-N 1 0 247.382 3.227 50 0 BGAARO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2)CCO1 ZINC000352722967 188058056 /nfs/dbraw/zinc/05/80/56/188058056.db2.gz ONQNIRTUGAXORU-HOTGVXAUSA-N 1 0 247.382 3.227 50 0 BGAARO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccccc2)CCO1 ZINC000352722968 384693587 /nfs/dbraw/zinc/69/35/87/384693587.db2.gz ONQNIRTUGAXORU-HZPDHXFCSA-N 1 0 247.382 3.227 50 0 BGAARO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2)CCO1 ZINC000352722969 167494116 /nfs/dbraw/zinc/49/41/16/167494116.db2.gz ONQNIRTUGAXORU-JKSUJKDBSA-N 1 0 247.382 3.227 50 0 BGAARO Cn1ccnc1[C@@H]([NH2+]C1CCCCCC1)C1CC1 ZINC000353882910 386540305 /nfs/dbraw/zinc/54/03/05/386540305.db2.gz SAWFSGZNTFKNAZ-AWEZNQCLSA-N 1 0 247.386 3.184 50 0 BGAARO Cn1ccnc1[C@H]([NH2+]C1CCCCCC1)C1CC1 ZINC000353882911 386540273 /nfs/dbraw/zinc/54/02/73/386540273.db2.gz SAWFSGZNTFKNAZ-CQSZACIVSA-N 1 0 247.386 3.184 50 0 BGAARO Cc1cccc(C)c1C[NH2+]Cc1ccc(F)cn1 ZINC000358510597 179036750 /nfs/dbraw/zinc/03/67/50/179036750.db2.gz SFCNIXJURUIBQP-UHFFFAOYSA-N 1 0 244.313 3.127 50 0 BGAARO CCC(CC)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000389905426 582881684 /nfs/dbraw/zinc/88/16/84/582881684.db2.gz GUHLQXVKAYGCJL-CYBMUJFWSA-N 1 0 206.333 3.170 50 0 BGAARO CCC(CC)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000389905427 582881656 /nfs/dbraw/zinc/88/16/56/582881656.db2.gz GUHLQXVKAYGCJL-ZDUSSCGKSA-N 1 0 206.333 3.170 50 0 BGAARO C[C@H](c1ccccc1)[NH+]1CC2(CCC2)C1 ZINC000398537620 711412049 /nfs/dbraw/zinc/41/20/49/711412049.db2.gz ZTBZUPDCUVRBNG-GFCCVEGCSA-N 1 0 201.313 3.234 50 0 BGAARO C[C@@H](c1ccccc1)[NH+]1CC2(CCC2)C1 ZINC000398537621 711411885 /nfs/dbraw/zinc/41/18/85/711411885.db2.gz ZTBZUPDCUVRBNG-LBPRGKRZSA-N 1 0 201.313 3.234 50 0 BGAARO COC1(C[C@@H](C)[NH2+]Cc2ccccc2)CCC1 ZINC000408514647 385866012 /nfs/dbraw/zinc/86/60/12/385866012.db2.gz LWWVZXZCJQNJGV-CYBMUJFWSA-N 1 0 233.355 3.124 50 0 BGAARO COC1(C[C@H](C)[NH2+]Cc2ccccc2)CCC1 ZINC000408514648 385866462 /nfs/dbraw/zinc/86/64/62/385866462.db2.gz LWWVZXZCJQNJGV-ZDUSSCGKSA-N 1 0 233.355 3.124 50 0 BGAARO Cc1nc(-c2ccc(-c3cc[nH]n3)cc2)c(C)[nH]1 ZINC000426388603 387562794 /nfs/dbraw/zinc/56/27/94/387562794.db2.gz XIVFGTRDGXSCIK-UHFFFAOYSA-N 1 0 238.294 3.084 50 0 BGAARO c1cc(-c2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC000426424197 206047252 /nfs/dbraw/zinc/04/72/52/206047252.db2.gz FJPVXDHJCUSYLI-UHFFFAOYSA-N 1 0 238.334 3.344 50 0 BGAARO Cc1nnc(-c2ccc([C@@H](C)[NH+](C)C)cc2)s1 ZINC000426430563 206051174 /nfs/dbraw/zinc/05/11/74/206051174.db2.gz ANNSXDKLFUPIQC-SECBINFHSA-N 1 0 247.367 3.136 50 0 BGAARO Cc1nnc(-c2ccc([C@H](C)[NH+](C)C)cc2)s1 ZINC000426430566 206053301 /nfs/dbraw/zinc/05/33/01/206053301.db2.gz ANNSXDKLFUPIQC-VIFPVBQESA-N 1 0 247.367 3.136 50 0 BGAARO Cc1ccc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nn1 ZINC000426434496 384801691 /nfs/dbraw/zinc/80/16/91/384801691.db2.gz QPQFLGDSKATNQZ-GFCCVEGCSA-N 1 0 241.338 3.075 50 0 BGAARO Cc1ccc(-c2ccc([C@H](C)[NH+](C)C)cc2)nn1 ZINC000426434504 384803733 /nfs/dbraw/zinc/80/37/33/384803733.db2.gz QPQFLGDSKATNQZ-LBPRGKRZSA-N 1 0 241.338 3.075 50 0 BGAARO CC(C)n1nccc1-c1ccc(C[NH+](C)C)cc1 ZINC000426521606 191096158 /nfs/dbraw/zinc/09/61/58/191096158.db2.gz ZKEGUANLJCEQCV-UHFFFAOYSA-N 1 0 243.354 3.193 50 0 BGAARO Cc1ccc2ncc(-c3ncccc3C[NH3+])cc2c1 ZINC000426666959 200994465 /nfs/dbraw/zinc/99/44/65/200994465.db2.gz HYUOCZUHJWSLET-UHFFFAOYSA-N 1 0 249.317 3.064 50 0 BGAARO CC(C)c1ncc(C[N@H+](C)CC2CCCC2)cn1 ZINC000440457995 206077333 /nfs/dbraw/zinc/07/73/33/206077333.db2.gz FYOINHLFWMZBIZ-UHFFFAOYSA-N 1 0 247.386 3.222 50 0 BGAARO CCC(CC)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443069059 193012532 /nfs/dbraw/zinc/01/25/32/193012532.db2.gz OKOILPXPTNYOQK-UHFFFAOYSA-N 1 0 249.402 3.468 50 0 BGAARO c1cc(C2CC[NH+](CC3=CCCCC3)CC2)n[nH]1 ZINC000450327212 202129145 /nfs/dbraw/zinc/12/91/45/202129145.db2.gz AYTIELMRXJVGBJ-UHFFFAOYSA-N 1 0 245.370 3.090 50 0 BGAARO C/C(=C\c1ccccc1)C[N@@H+](C)CC1(C)COC1 ZINC000494235566 527532597 /nfs/dbraw/zinc/53/25/97/527532597.db2.gz XKHIVQCGQGNUBC-NTEUORMPSA-N 1 0 245.366 3.058 50 0 BGAARO Cc1cccc(C2([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000534585900 386644121 /nfs/dbraw/zinc/64/41/21/386644121.db2.gz SMPQZTVQPHYDJI-CYBMUJFWSA-N 1 0 233.380 3.079 50 0 BGAARO Cc1cccc(C2([NH2+][C@H]3CCSC3)CC2)c1 ZINC000534585901 386645199 /nfs/dbraw/zinc/64/51/99/386645199.db2.gz SMPQZTVQPHYDJI-ZDUSSCGKSA-N 1 0 233.380 3.079 50 0 BGAARO Cc1ccc(C2([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000534646647 323156729 /nfs/dbraw/zinc/15/67/29/323156729.db2.gz LUXLZTKHDBXUKJ-CYBMUJFWSA-N 1 0 233.380 3.079 50 0 BGAARO Cc1ccc(C2([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000534646648 323156716 /nfs/dbraw/zinc/15/67/16/323156716.db2.gz LUXLZTKHDBXUKJ-ZDUSSCGKSA-N 1 0 233.380 3.079 50 0 BGAARO Cc1ccccc1CC1([NH2+][C@H]2CCSC2)CC1 ZINC000534651136 323157377 /nfs/dbraw/zinc/15/73/77/323157377.db2.gz OQQNFBNIORNAAP-AWEZNQCLSA-N 1 0 247.407 3.165 50 0 BGAARO Cc1ccccc1CC1([NH2+][C@@H]2CCSC2)CC1 ZINC000534651137 323157507 /nfs/dbraw/zinc/15/75/07/323157507.db2.gz OQQNFBNIORNAAP-CQSZACIVSA-N 1 0 247.407 3.165 50 0 BGAARO CSC[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000534651708 323157401 /nfs/dbraw/zinc/15/74/01/323157401.db2.gz IMPRXAVFBBOGLI-GFCCVEGCSA-N 1 0 245.432 3.067 50 0 BGAARO CSC[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000534651709 323157506 /nfs/dbraw/zinc/15/75/06/323157506.db2.gz IMPRXAVFBBOGLI-LBPRGKRZSA-N 1 0 245.432 3.067 50 0 BGAARO CCSC[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534656829 323157918 /nfs/dbraw/zinc/15/79/18/323157918.db2.gz FLTDKOFXUVJJCN-CYBMUJFWSA-N 1 0 249.423 3.493 50 0 BGAARO CCSC[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534656832 323157905 /nfs/dbraw/zinc/15/79/05/323157905.db2.gz FLTDKOFXUVJJCN-ZDUSSCGKSA-N 1 0 249.423 3.493 50 0 BGAARO CCCC1(C[NH2+][C@H](C)Cn2ccnc2C)CCC1 ZINC000534664698 323158436 /nfs/dbraw/zinc/15/84/36/323158436.db2.gz IGEZKBJCGPSHBQ-CYBMUJFWSA-N 1 0 249.402 3.140 50 0 BGAARO CCCC1(C[NH2+][C@@H](C)Cn2ccnc2C)CCC1 ZINC000534664699 323158491 /nfs/dbraw/zinc/15/84/91/323158491.db2.gz IGEZKBJCGPSHBQ-ZDUSSCGKSA-N 1 0 249.402 3.140 50 0 BGAARO COCC[C@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534672311 323158812 /nfs/dbraw/zinc/15/88/12/323158812.db2.gz IMZCUWCTTQFHIH-AWEZNQCLSA-N 1 0 247.382 3.085 50 0 BGAARO COCC[C@@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534672312 323158798 /nfs/dbraw/zinc/15/87/98/323158798.db2.gz IMZCUWCTTQFHIH-CQSZACIVSA-N 1 0 247.382 3.085 50 0 BGAARO Cc1cccnc1[C@@H]([NH2+]C1CCCC1)C1CC1 ZINC000534675365 323159852 /nfs/dbraw/zinc/15/98/52/323159852.db2.gz PSQGJELPNBEGGA-HNNXBMFYSA-N 1 0 230.355 3.373 50 0 BGAARO Cc1cccnc1[C@H]([NH2+]C1CCCC1)C1CC1 ZINC000534675366 323159878 /nfs/dbraw/zinc/15/98/78/323159878.db2.gz PSQGJELPNBEGGA-OAHLLOKOSA-N 1 0 230.355 3.373 50 0 BGAARO Cc1nccn1C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC000584902160 342713867 /nfs/dbraw/zinc/71/38/67/342713867.db2.gz AIIQXZWHYUYWGV-CYBMUJFWSA-N 1 0 249.402 3.140 50 0 BGAARO Cc1nccn1C[C@H](C)[NH2+]CCCC1CCCC1 ZINC000584902161 342713839 /nfs/dbraw/zinc/71/38/39/342713839.db2.gz AIIQXZWHYUYWGV-ZDUSSCGKSA-N 1 0 249.402 3.140 50 0 BGAARO c1nc(C[N@@H+]2CCCC[C@@H]2C2CCC2)cs1 ZINC000585089107 487573413 /nfs/dbraw/zinc/57/34/13/487573413.db2.gz RNPUWMBPJMSNDP-CYBMUJFWSA-N 1 0 236.384 3.298 50 0 BGAARO c1nc(C[N@@H+]2CCCC[C@H]2C2CCC2)cs1 ZINC000585089108 487573516 /nfs/dbraw/zinc/57/35/16/487573516.db2.gz RNPUWMBPJMSNDP-ZDUSSCGKSA-N 1 0 236.384 3.298 50 0 BGAARO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000585117622 487502877 /nfs/dbraw/zinc/50/28/77/487502877.db2.gz OCQADAOBDKYZIK-CAOSSQGBSA-N 1 0 249.398 3.038 50 0 BGAARO CC1=C(C)C[C@@H]([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000585117623 487502788 /nfs/dbraw/zinc/50/27/88/487502788.db2.gz OCQADAOBDKYZIK-FXUDXRNXSA-N 1 0 249.398 3.038 50 0 BGAARO CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000585117624 487502914 /nfs/dbraw/zinc/50/29/14/487502914.db2.gz OCQADAOBDKYZIK-QKPAOTATSA-N 1 0 249.398 3.038 50 0 BGAARO CC1=C(C)C[C@@H]([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000585117625 487502481 /nfs/dbraw/zinc/50/24/81/487502481.db2.gz OCQADAOBDKYZIK-YHUYYLMFSA-N 1 0 249.398 3.038 50 0 BGAARO Cc1ncc(C[N@@H+](C)[C@H]2CCc3ccccc32)o1 ZINC000585120722 386672431 /nfs/dbraw/zinc/67/24/31/386672431.db2.gz FRYFGIOAKOOESU-HNNXBMFYSA-N 1 0 242.322 3.102 50 0 BGAARO Cc1ncc(C[N@@H+](C)[C@@H]2CCc3ccccc32)o1 ZINC000585120723 386673525 /nfs/dbraw/zinc/67/35/25/386673525.db2.gz FRYFGIOAKOOESU-OAHLLOKOSA-N 1 0 242.322 3.102 50 0 BGAARO CC(C)Oc1cc(Cl)ccc1[C@@H](C)[NH3+] ZINC000601014816 350329942 /nfs/dbraw/zinc/32/99/42/350329942.db2.gz SSYDLGSFURQIAT-MRVPVSSYSA-N 1 0 213.708 3.147 50 0 BGAARO CC(C)Oc1cc(Cl)ccc1[C@H](C)[NH3+] ZINC000601014817 350329915 /nfs/dbraw/zinc/32/99/15/350329915.db2.gz SSYDLGSFURQIAT-QMMMGPOBSA-N 1 0 213.708 3.147 50 0 BGAARO Cc1c[nH]c(C[NH2+]C[C@]2(C)CC[C@H](C)C2(C)C)n1 ZINC000657589103 411555373 /nfs/dbraw/zinc/55/53/73/411555373.db2.gz FEXUTAWCMXSPAN-NHYWBVRUSA-N 1 0 249.402 3.270 50 0 BGAARO CC(C)[NH2+][C@H](C)Cc1cccc2c1CCCC2 ZINC000670419537 488185165 /nfs/dbraw/zinc/18/51/65/488185165.db2.gz ZTKOBISATYWSAP-CYBMUJFWSA-N 1 0 231.383 3.494 50 0 BGAARO CC(C)[NH2+][C@@H](C)Cc1cccc2c1CCCC2 ZINC000670419538 488185362 /nfs/dbraw/zinc/18/53/62/488185362.db2.gz ZTKOBISATYWSAP-ZDUSSCGKSA-N 1 0 231.383 3.494 50 0 BGAARO CCCCc1ncc(C[N@H+](C)CC2CCCC2)[nH]1 ZINC000670437238 491105274 /nfs/dbraw/zinc/10/52/74/491105274.db2.gz KKZABZRAZKSLCE-UHFFFAOYSA-N 1 0 249.402 3.374 50 0 BGAARO CCC[C@@H](C)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC000670442311 487491205 /nfs/dbraw/zinc/49/12/05/487491205.db2.gz HQTSFKSUMNZBDG-LLVKDONJSA-N 1 0 245.326 3.015 50 0 BGAARO CCC[C@H](C)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC000670442312 487491258 /nfs/dbraw/zinc/49/12/58/487491258.db2.gz HQTSFKSUMNZBDG-NSHDSACASA-N 1 0 245.326 3.015 50 0 BGAARO CC(C)c1ncc(C[N@H+](C)C[C@H]2CC2(C)C)cn1 ZINC000670444925 487493533 /nfs/dbraw/zinc/49/35/33/487493533.db2.gz SIAXSGRBORPKEV-CYBMUJFWSA-N 1 0 247.386 3.078 50 0 BGAARO CC(C)c1ncc(C[N@H+](C)C[C@@H]2CC2(C)C)cn1 ZINC000670444926 487493509 /nfs/dbraw/zinc/49/35/09/487493509.db2.gz SIAXSGRBORPKEV-ZDUSSCGKSA-N 1 0 247.386 3.078 50 0 BGAARO CCC1(CC)C[N@H+](Cc2ccsc2)CCO1 ZINC000670448989 487499620 /nfs/dbraw/zinc/49/96/20/487499620.db2.gz LVJVHFHVOQPDMJ-UHFFFAOYSA-N 1 0 239.384 3.139 50 0 BGAARO Cc1nc2cc(C[NH2+][C@H](C)C(C)C)ccc2n1C ZINC000670460932 487514207 /nfs/dbraw/zinc/51/42/07/487514207.db2.gz CJFMIBUKVOWKBC-LLVKDONJSA-N 1 0 245.370 3.016 50 0 BGAARO Cc1nc2cc(C[NH2+][C@@H](C)C(C)C)ccc2n1C ZINC000670460933 487513891 /nfs/dbraw/zinc/51/38/91/487513891.db2.gz CJFMIBUKVOWKBC-NSHDSACASA-N 1 0 245.370 3.016 50 0 BGAARO c1cc2c(cccc2C[N@H+]2C[C@@H]3CC[C@@H](C3)C2)[nH]1 ZINC000670462932 487516305 /nfs/dbraw/zinc/51/63/05/487516305.db2.gz VDEYZQYWCYPDGR-BETUJISGSA-N 1 0 240.350 3.400 50 0 BGAARO CC[C@@H]([NH2+]C1CCCCCC1)c1nc(C)c[nH]1 ZINC000670468335 487521674 /nfs/dbraw/zinc/52/16/74/487521674.db2.gz XVIRTFFWYHVXCK-CYBMUJFWSA-N 1 0 235.375 3.482 50 0 BGAARO CC[C@H]([NH2+]C1CCCCCC1)c1nc(C)c[nH]1 ZINC000670468336 487521795 /nfs/dbraw/zinc/52/17/95/487521795.db2.gz XVIRTFFWYHVXCK-ZDUSSCGKSA-N 1 0 235.375 3.482 50 0 BGAARO Cc1cnc(C[N@H+](C)CCCC2CCCC2)cn1 ZINC000670469393 487523339 /nfs/dbraw/zinc/52/33/39/487523339.db2.gz XUPBURWRASQJDX-UHFFFAOYSA-N 1 0 247.386 3.187 50 0 BGAARO Cc1ncc(C[N@H+](C)CCCC2CCCC2)cn1 ZINC000670469803 487525064 /nfs/dbraw/zinc/52/50/64/487525064.db2.gz YCFJYBWSRKTMDC-UHFFFAOYSA-N 1 0 247.386 3.187 50 0 BGAARO Cc1csc(C[N@@H+]2CC[C@@H]3CCCC[C@H]32)n1 ZINC000685939636 537930342 /nfs/dbraw/zinc/93/03/42/537930342.db2.gz GTSSGLHDBIJLLM-NWDGAFQWSA-N 1 0 236.384 3.216 50 0 BGAARO Cc1csc(C[N@@H+]2CC[C@H]3CCCC[C@H]32)n1 ZINC000685939637 537930446 /nfs/dbraw/zinc/93/04/46/537930446.db2.gz GTSSGLHDBIJLLM-VXGBXAGGSA-N 1 0 236.384 3.216 50 0 BGAARO c1nc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cs1 ZINC000685939838 537927931 /nfs/dbraw/zinc/92/79/31/537927931.db2.gz WCILOTBEQWGHHL-WCQYABFASA-N 1 0 236.384 3.298 50 0 BGAARO Cc1cc(F)ccc1-c1cc(C[NH2+]C(C)C)[nH]n1 ZINC000725264672 538091884 /nfs/dbraw/zinc/09/18/84/538091884.db2.gz FQUPWTRYHJMCHX-UHFFFAOYSA-N 1 0 247.317 3.022 50 0 BGAARO CC[C@@H](C)c1ccc(-c2cc(C[NH2+]C)[nH]n2)cc1 ZINC000725264701 538092183 /nfs/dbraw/zinc/09/21/83/538092183.db2.gz KOIYCBFDNATIOE-LLVKDONJSA-N 1 0 243.354 3.310 50 0 BGAARO CC[C@H](C)c1ccc(-c2cc(C[NH2+]C)[nH]n2)cc1 ZINC000725264702 538091505 /nfs/dbraw/zinc/09/15/05/538091505.db2.gz KOIYCBFDNATIOE-NSHDSACASA-N 1 0 243.354 3.310 50 0 BGAARO CCC(C)(C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000725272967 541340828 /nfs/dbraw/zinc/34/08/28/541340828.db2.gz WJTZMVLLRMJOBW-GFCCVEGCSA-N 1 0 206.333 3.170 50 0 BGAARO CCC(C)(C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000725272968 541340786 /nfs/dbraw/zinc/34/07/86/541340786.db2.gz WJTZMVLLRMJOBW-LBPRGKRZSA-N 1 0 206.333 3.170 50 0 BGAARO C(=C/C1CCCCCC1)\CSC1=[NH+]CCN1 ZINC000756960405 586422131 /nfs/dbraw/zinc/42/21/31/586422131.db2.gz SUPOMWSNCGXUPN-VMPITWQZSA-N 1 0 238.400 3.205 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000757207506 582558925 /nfs/dbraw/zinc/55/89/25/582558925.db2.gz BPRRWQXLTRZERM-GWCFXTLKSA-N 1 0 229.327 3.074 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@H]1CCC[C@H](C)[NH2+]1 ZINC000757207507 582559038 /nfs/dbraw/zinc/55/90/38/582559038.db2.gz BPRRWQXLTRZERM-GXFFZTMASA-N 1 0 229.327 3.074 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000757207512 582558874 /nfs/dbraw/zinc/55/88/74/582558874.db2.gz BPRRWQXLTRZERM-MFKMUULPSA-N 1 0 229.327 3.074 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000757207516 582559325 /nfs/dbraw/zinc/55/93/25/582559325.db2.gz BPRRWQXLTRZERM-ZWNOBZJWSA-N 1 0 229.327 3.074 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000757208873 582559901 /nfs/dbraw/zinc/55/99/01/582559901.db2.gz FBEDMYKQEVHCLX-ISOBSLSZSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000757208881 582560312 /nfs/dbraw/zinc/56/03/12/582560312.db2.gz FBEDMYKQEVHCLX-OSQNNJELSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000757208890 582560013 /nfs/dbraw/zinc/56/00/13/582560013.db2.gz FBEDMYKQEVHCLX-VPJDZLOFSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000757208892 582560288 /nfs/dbraw/zinc/56/02/88/582560288.db2.gz FBEDMYKQEVHCLX-ZSGNIPIJSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000757209856 586438445 /nfs/dbraw/zinc/43/84/45/586438445.db2.gz GNTMOMKYUKRPKQ-GWCFXTLKSA-N 1 0 229.327 3.074 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@H]1CCC[C@H](C)[NH2+]1 ZINC000757209861 586438473 /nfs/dbraw/zinc/43/84/73/586438473.db2.gz GNTMOMKYUKRPKQ-GXFFZTMASA-N 1 0 229.327 3.074 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000757209863 586438373 /nfs/dbraw/zinc/43/83/73/586438373.db2.gz GNTMOMKYUKRPKQ-MFKMUULPSA-N 1 0 229.327 3.074 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000757209865 586438613 /nfs/dbraw/zinc/43/86/13/586438613.db2.gz GNTMOMKYUKRPKQ-ZWNOBZJWSA-N 1 0 229.327 3.074 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000757209898 586438259 /nfs/dbraw/zinc/43/82/59/586438259.db2.gz GPQNZHQKCHCZEH-CHIMOYNISA-N 1 0 243.354 3.320 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000757209900 586438257 /nfs/dbraw/zinc/43/82/57/586438257.db2.gz GPQNZHQKCHCZEH-PUYPPJJSSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000757209902 586438331 /nfs/dbraw/zinc/43/83/31/586438331.db2.gz GPQNZHQKCHCZEH-PXWWUCIGSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000757209903 586438414 /nfs/dbraw/zinc/43/84/14/586438414.db2.gz GPQNZHQKCHCZEH-UDZFHETQSA-N 1 0 243.354 3.320 50 0 BGAARO Cc1cc2c[nH]nc2cc1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000757213084 586439668 /nfs/dbraw/zinc/43/96/68/586439668.db2.gz NXJYVJMJISDSNA-GHMZBOCLSA-N 1 0 243.354 3.115 50 0 BGAARO Cc1cc2c[nH]nc2cc1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000757213085 586439470 /nfs/dbraw/zinc/43/94/70/586439470.db2.gz NXJYVJMJISDSNA-QWRGUYRKSA-N 1 0 243.354 3.115 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000757213087 586439452 /nfs/dbraw/zinc/43/94/52/586439452.db2.gz NXJYVJMJISDSNA-ZSBIGDGJSA-N 1 0 243.354 3.115 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](C)C[C@@H]1C ZINC000757215042 586440335 /nfs/dbraw/zinc/44/03/35/586440335.db2.gz UJQHMVTYHUUJKB-BPYAMOTFSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1C ZINC000757215049 586440303 /nfs/dbraw/zinc/44/03/03/586440303.db2.gz UJQHMVTYHUUJKB-CCUNJIBTSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](C)C[C@H]1C ZINC000757215051 586440453 /nfs/dbraw/zinc/44/04/53/586440453.db2.gz UJQHMVTYHUUJKB-XDMRBOTDSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1C ZINC000757215053 586440125 /nfs/dbraw/zinc/44/01/25/586440125.db2.gz UJQHMVTYHUUJKB-ZVWUFJHRSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H](C)C[C@@H]1C ZINC000757216211 586440885 /nfs/dbraw/zinc/44/08/85/586440885.db2.gz YXKAOYDFFNYIMB-BPYAMOTFSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1C ZINC000757216212 586440789 /nfs/dbraw/zinc/44/07/89/586440789.db2.gz YXKAOYDFFNYIMB-CCUNJIBTSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H](C)C[C@H]1C ZINC000757216213 586440745 /nfs/dbraw/zinc/44/07/45/586440745.db2.gz YXKAOYDFFNYIMB-XDMRBOTDSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1C ZINC000757216214 586441035 /nfs/dbraw/zinc/44/10/35/586441035.db2.gz YXKAOYDFFNYIMB-ZVWUFJHRSA-N 1 0 243.354 3.178 50 0 BGAARO Cc1ccc2n[nH]cc2c1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000757216229 582560992 /nfs/dbraw/zinc/56/09/92/582560992.db2.gz ZEVBEDOHUMLBSF-GHMZBOCLSA-N 1 0 243.354 3.115 50 0 BGAARO Cc1ccc2n[nH]cc2c1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000757216230 582561131 /nfs/dbraw/zinc/56/11/31/582561131.db2.gz ZEVBEDOHUMLBSF-QWRGUYRKSA-N 1 0 243.354 3.115 50 0 BGAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000757216231 582560786 /nfs/dbraw/zinc/56/07/86/582560786.db2.gz ZEVBEDOHUMLBSF-ZSBIGDGJSA-N 1 0 243.354 3.115 50 0 BGAARO CCOCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000863982318 589333279 /nfs/dbraw/zinc/33/32/79/589333279.db2.gz BRUFPYZRGUEUCF-LLVKDONJSA-N 1 0 233.311 3.120 50 0 BGAARO CCOCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000863982319 589333203 /nfs/dbraw/zinc/33/32/03/589333203.db2.gz BRUFPYZRGUEUCF-NSHDSACASA-N 1 0 233.311 3.120 50 0 BGAARO Cc1ncsc1C[NH2+][C@@H](C)C1=CCCCC1 ZINC000888099306 583180982 /nfs/dbraw/zinc/18/09/82/583180982.db2.gz ZAHSUOOKLOQWER-JTQLQIEISA-N 1 0 236.384 3.430 50 0 BGAARO Cc1ncsc1C[NH2+][C@H](C)C1=CCCCC1 ZINC000888099307 583180814 /nfs/dbraw/zinc/18/08/14/583180814.db2.gz ZAHSUOOKLOQWER-SNVBAGLBSA-N 1 0 236.384 3.430 50 0 BGAARO Cc1n[nH]c(C)c1C[NH2+][C@@H](C)C1=CCCCC1 ZINC000952970292 644446928 /nfs/dbraw/zinc/44/69/28/644446928.db2.gz KIZJHVQOVYLURC-JTQLQIEISA-N 1 0 233.359 3.005 50 0 BGAARO Cc1n[nH]c(C)c1C[NH2+][C@H](C)C1=CCCCC1 ZINC000952970320 644447409 /nfs/dbraw/zinc/44/74/09/644447409.db2.gz KIZJHVQOVYLURC-SNVBAGLBSA-N 1 0 233.359 3.005 50 0 BGAARO CCc1nc(C)c(C[NH2+][C@H](C)C2=CCCCC2)[nH]1 ZINC000952974054 644446381 /nfs/dbraw/zinc/44/63/81/644446381.db2.gz ZILXSYLWVIDBGX-LLVKDONJSA-N 1 0 247.386 3.259 50 0 BGAARO CCc1nc(C)c(C[NH2+][C@@H](C)C2=CCCCC2)[nH]1 ZINC000952974077 644446104 /nfs/dbraw/zinc/44/61/04/644446104.db2.gz ZILXSYLWVIDBGX-NSHDSACASA-N 1 0 247.386 3.259 50 0 BGAARO CCc1nc(C)c(C[NH2+]C(C)(C)CC(C)C)[nH]1 ZINC000952976821 644449854 /nfs/dbraw/zinc/44/98/54/644449854.db2.gz PCIFDJKXFYABOA-UHFFFAOYSA-N 1 0 237.391 3.195 50 0 BGAARO Cc1nc(C[NH2+][C@H](C)C2=CCCCC2)n(C)c1C ZINC000952980262 644448806 /nfs/dbraw/zinc/44/88/06/644448806.db2.gz VVBZCORFMJPTID-GFCCVEGCSA-N 1 0 247.386 3.015 50 0 BGAARO Cc1nc(C[NH2+][C@@H](C)C2=CCCCC2)n(C)c1C ZINC000952980272 644448014 /nfs/dbraw/zinc/44/80/14/644448014.db2.gz VVBZCORFMJPTID-LBPRGKRZSA-N 1 0 247.386 3.015 50 0 BGAARO Cc1cc(C)nc(C[N@H+](C)C[C@H]2CC=CCC2)c1 ZINC000952983821 644449982 /nfs/dbraw/zinc/44/99/82/644449982.db2.gz RSANZSRVPOZUMC-HNNXBMFYSA-N 1 0 244.382 3.487 50 0 BGAARO Cc1cc(C)nc(C[N@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000952983828 644449413 /nfs/dbraw/zinc/44/94/13/644449413.db2.gz RSANZSRVPOZUMC-OAHLLOKOSA-N 1 0 244.382 3.487 50 0 BGAARO COc1ncccc1C[NH2+][C@H](C)C1=CCCCC1 ZINC000952985982 644448987 /nfs/dbraw/zinc/44/89/87/644448987.db2.gz VGUKTRXDFPEJAR-GFCCVEGCSA-N 1 0 246.354 3.069 50 0 BGAARO COc1ncccc1C[NH2+][C@@H](C)C1=CCCCC1 ZINC000952985984 644449947 /nfs/dbraw/zinc/44/99/47/644449947.db2.gz VGUKTRXDFPEJAR-LBPRGKRZSA-N 1 0 246.354 3.069 50 0 BGAARO [NH3+][C@@H](c1ccccc1)C1(O)CCCCCCC1 ZINC000958527758 644805793 /nfs/dbraw/zinc/80/57/93/644805793.db2.gz HAHUWKJMYSIQHX-AWEZNQCLSA-N 1 0 233.355 3.162 50 0 BGAARO [NH3+][C@H](c1ccccc1)C1(O)CCCCCCC1 ZINC000958527759 644806323 /nfs/dbraw/zinc/80/63/23/644806323.db2.gz HAHUWKJMYSIQHX-CQSZACIVSA-N 1 0 233.355 3.162 50 0 BGAARO [NH3+][C@@H](C1CCCCC1)C1(O)CCCCCCC1 ZINC000958528019 635551988 /nfs/dbraw/zinc/55/19/88/635551988.db2.gz MJWUIKAJUQWOLU-AWEZNQCLSA-N 1 0 239.403 3.369 50 0 BGAARO [NH3+][C@H](C1CCCCC1)C1(O)CCCCCCC1 ZINC000958528020 635550645 /nfs/dbraw/zinc/55/06/45/635550645.db2.gz MJWUIKAJUQWOLU-CQSZACIVSA-N 1 0 239.403 3.369 50 0 BGAARO CCC(CC)[C@@H]([NH3+])C1(O)CCCCCCC1 ZINC000958528228 644806060 /nfs/dbraw/zinc/80/60/60/644806060.db2.gz OYTAJWGOZNTHLX-CYBMUJFWSA-N 1 0 227.392 3.225 50 0 BGAARO CCC(CC)[C@H]([NH3+])C1(O)CCCCCCC1 ZINC000958528229 644806768 /nfs/dbraw/zinc/80/67/68/644806768.db2.gz OYTAJWGOZNTHLX-ZDUSSCGKSA-N 1 0 227.392 3.225 50 0 BGAARO CC(C)(C)C[C@@H]([NH3+])C1(O)CCCCCCC1 ZINC000958528288 644806838 /nfs/dbraw/zinc/80/68/38/644806838.db2.gz PYKHTNRNXZTMLO-GFCCVEGCSA-N 1 0 227.392 3.225 50 0 BGAARO CC(C)(C)C[C@H]([NH3+])C1(O)CCCCCCC1 ZINC000958528289 644806078 /nfs/dbraw/zinc/80/60/78/644806078.db2.gz PYKHTNRNXZTMLO-LBPRGKRZSA-N 1 0 227.392 3.225 50 0 BGAARO [NH3+][C@H](c1ccsc1)C1(O)CCCCCCC1 ZINC000958528725 635551545 /nfs/dbraw/zinc/55/15/45/635551545.db2.gz SOJCSSAKDAIMKZ-GFCCVEGCSA-N 1 0 239.384 3.223 50 0 BGAARO [NH3+][C@@H](c1ccsc1)C1(O)CCCCCCC1 ZINC000958528726 635551039 /nfs/dbraw/zinc/55/10/39/635551039.db2.gz SOJCSSAKDAIMKZ-LBPRGKRZSA-N 1 0 239.384 3.223 50 0 BGAARO