smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]c(C2CCC2)n1C1CC[NH2+]CC1 ZINC000253414733 398280329 /nfs/dbraw/zinc/28/03/29/398280329.db2.gz YJYUNEDOJVAMNC-UHFFFAOYSA-N 2 0 219.332 2.384 50 0 BEAARP C(C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000034449439 343271292 /nfs/dbraw/zinc/27/12/92/343271292.db2.gz PDCYDPHFWMESPA-ZDUSSCGKSA-N 2 0 210.365 2.252 50 0 BEAARP CC(C)COCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000095967492 188271548 /nfs/dbraw/zinc/27/15/48/188271548.db2.gz DBUBOMZQLZYSRJ-UHFFFAOYSA-N 2 0 242.407 2.121 50 0 BEAARP c1cc[n+](CCCCC[n+]2ccccc2)cc1 ZINC000001668279 183378488 /nfs/dbraw/zinc/37/84/88/183378488.db2.gz NCRGGUSSYXSHOR-UHFFFAOYSA-N 2 0 228.339 2.132 50 0 BEAARP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1C=CCCC1 ZINC000071915663 384191811 /nfs/dbraw/zinc/19/18/11/384191811.db2.gz BHQMRKSFVDJVDO-CQSZACIVSA-N 2 0 222.376 2.369 50 0 BEAARP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000021949815 384709614 /nfs/dbraw/zinc/70/96/14/384709614.db2.gz ZOKLSRZQDQHBTI-LBPRGKRZSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1 ZINC000008768034 388408186 /nfs/dbraw/zinc/40/81/86/388408186.db2.gz ANURUDOSSBBQBL-LBPRGKRZSA-N 2 0 206.333 2.289 50 0 BEAARP C[NH+](C)CCC1CC[NH+](CC2CCC2)CC1 ZINC000173559712 388425083 /nfs/dbraw/zinc/42/50/83/388425083.db2.gz SBNCEPALGXXBPD-UHFFFAOYSA-N 2 0 224.392 2.450 50 0 BEAARP CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000042783360 168183092 /nfs/dbraw/zinc/18/30/92/168183092.db2.gz QAJRTDTVDJTEER-CYBMUJFWSA-N 2 0 210.365 2.108 50 0 BEAARP C[NH+](C)Cc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000000005679 172502071 /nfs/dbraw/zinc/50/20/71/172502071.db2.gz PTNVBAZHLFJXIY-UHFFFAOYSA-N 2 0 232.371 2.290 50 0 BEAARP C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000022862852 173390734 /nfs/dbraw/zinc/39/07/34/173390734.db2.gz RLFLKNXWHSUKCT-UHFFFAOYSA-N 2 0 218.344 2.392 50 0 BEAARP C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000247965624 177100595 /nfs/dbraw/zinc/10/05/95/177100595.db2.gz HWKYDYXTLASTBO-QWHCGFSZSA-N 2 0 210.365 2.108 50 0 BEAARP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000000277419 177193201 /nfs/dbraw/zinc/19/32/01/177193201.db2.gz IDOOWKSZPRWIPR-NWDGAFQWSA-N 2 0 212.381 2.352 50 0 BEAARP C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000238856646 522506734 /nfs/dbraw/zinc/50/67/34/522506734.db2.gz WSABCMHCIKCUJB-NHAGDIPZSA-N 2 0 232.371 2.362 50 0 BEAARP [NH3+][C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000149665616 964609937 /nfs/dbraw/zinc/60/99/37/964609937.db2.gz ALHBJBCQLJZYON-ZQDZILKHSA-N 2 0 230.355 2.402 50 0 BEAARP [NH3+]C[C@H](c1ccccc1)N1CCCCC1 ZINC000083426010 398281802 /nfs/dbraw/zinc/28/18/02/398281802.db2.gz BZSQHIHHSWIKKO-CYBMUJFWSA-N 2 0 204.317 2.172 50 0 BEAARP Clc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434724 342836101 /nfs/dbraw/zinc/83/61/01/342836101.db2.gz VJFSIDFAVSIQNI-UHFFFAOYSA-N 2 0 238.762 2.429 50 0 BEAARP C[NH+](C)Cc1ccc([C@@H]([NH3+])c2ccncc2)cc1 ZINC000011832609 342843809 /nfs/dbraw/zinc/84/38/09/342843809.db2.gz SQRUTHVJDRPFLH-OAHLLOKOSA-N 2 0 241.338 2.191 50 0 BEAARP C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946824 342964022 /nfs/dbraw/zinc/96/40/22/342964022.db2.gz SDICWGCMDSZILV-XJKSGUPXSA-N 2 0 244.382 2.301 50 0 BEAARP [NH3+][C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000020261204 342978997 /nfs/dbraw/zinc/97/89/97/342978997.db2.gz XURCCJOGZFFRKU-CHWSQXEVSA-N 2 0 213.284 2.070 50 0 BEAARP C[N@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000021950017 343028687 /nfs/dbraw/zinc/02/86/87/343028687.db2.gz SVHRLEXHFBEYDF-UHFFFAOYSA-N 2 0 210.365 2.251 50 0 BEAARP CC[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000000757616 343138730 /nfs/dbraw/zinc/13/87/30/343138730.db2.gz YBFSGNLDNYSWSU-UHFFFAOYSA-N 2 0 232.371 2.303 50 0 BEAARP C(=C/c1ccccc1)\C[NH2+]CC1CC[NH2+]CC1 ZINC000010434641 187249382 /nfs/dbraw/zinc/24/93/82/187249382.db2.gz OEIDMQTXILJXCW-QPJJXVBHSA-N 2 0 230.355 2.289 50 0 BEAARP C/C=C(\C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067894062 187274430 /nfs/dbraw/zinc/27/44/30/187274430.db2.gz LANSVSBSOCYJIZ-KGVSQERTSA-N 2 0 208.349 2.028 50 0 BEAARP Cc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000072203916 179281409 /nfs/dbraw/zinc/28/14/09/179281409.db2.gz AKHDTXKWYLGRGE-ZDUSSCGKSA-N 2 0 218.344 2.084 50 0 BEAARP Cc1sc2ccc3sc(C)[n+]4c3c2[n+]1CC4 ZINC000027987865 180559370 /nfs/dbraw/zinc/55/93/70/180559370.db2.gz DBVHDBYYXNKMAF-UHFFFAOYSA-N 2 0 248.376 2.321 50 0 BEAARP [NH3+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002882891 181380087 /nfs/dbraw/zinc/38/00/87/181380087.db2.gz DZTJTVGIWWYMBW-UHFFFAOYSA-N 2 0 232.371 2.290 50 0 BEAARP [NH3+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000032919541 181383268 /nfs/dbraw/zinc/38/32/68/181383268.db2.gz UXFPMNSYBVPROG-UHFFFAOYSA-N 2 0 248.370 2.016 50 0 BEAARP Nc1[nH+]c2ccccc2n1CC[NH+]1CCCCC1 ZINC000000186855 181793993 /nfs/dbraw/zinc/79/39/93/181793993.db2.gz VIGFYGMAAFDKCA-UHFFFAOYSA-N 2 0 244.342 2.104 50 0 BEAARP CCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072323938 169262272 /nfs/dbraw/zinc/26/22/72/169262272.db2.gz ZFTMSBRKTZIYBZ-QWHCGFSZSA-N 2 0 210.365 2.251 50 0 biogenic BEAARP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000082354477 183399406 /nfs/dbraw/zinc/39/94/06/183399406.db2.gz TZOUPQXQHUBGOP-HUUCEWRRSA-N 2 0 230.355 2.261 50 0 BEAARP FC(F)(F)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067673042 383941146 /nfs/dbraw/zinc/94/11/46/383941146.db2.gz GVBUIAHGCLNWFW-UHFFFAOYSA-N 2 0 236.281 2.014 50 0 BEAARP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)c(C)o1 ZINC000090397575 384045163 /nfs/dbraw/zinc/04/51/63/384045163.db2.gz SGDBYKQHXJZWTI-UHFFFAOYSA-N 2 0 222.332 2.067 50 0 BEAARP CCC[C@H]1CN(c2cc[nH+]cc2)C[C@@H]1[NH+](C)C ZINC000091493258 384130181 /nfs/dbraw/zinc/13/01/81/384130181.db2.gz GGXIDYCGWLHIOO-JSGCOSHPSA-N 2 0 233.359 2.248 50 0 BEAARP C[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000014629111 384395495 /nfs/dbraw/zinc/39/54/95/384395495.db2.gz DRPLGRDEZSJOCK-YIONKMFJSA-N 2 0 230.355 2.401 50 0 BEAARP C[NH+](C)Cc1ccc([C@H]([NH3+])C2CC2)s1 ZINC000096669766 384471956 /nfs/dbraw/zinc/47/19/56/384471956.db2.gz WTMVPDUECZUVPY-LLVKDONJSA-N 2 0 210.346 2.220 50 0 BEAARP [NH3+]C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000016941943 384474000 /nfs/dbraw/zinc/47/40/00/384474000.db2.gz QJIDWZVKZQJZID-ZDUSSCGKSA-N 2 0 236.334 2.039 50 0 BEAARP [NH3+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000101075250 384665009 /nfs/dbraw/zinc/66/50/09/384665009.db2.gz DEDUBZVXFIONOV-ILXRZTDVSA-N 2 0 230.355 2.246 50 0 BEAARP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000271479659 384735650 /nfs/dbraw/zinc/73/56/50/384735650.db2.gz ISWBWBNTMQYVEX-DZGCQCFKSA-N 2 0 247.386 2.005 50 0 BEAARP Cc1ccc(C)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000032919852 385192099 /nfs/dbraw/zinc/19/20/99/385192099.db2.gz HJXORANFTYABRY-UHFFFAOYSA-N 2 0 232.371 2.474 50 0 BEAARP CC(C)=CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000071794681 388114254 /nfs/dbraw/zinc/11/42/54/388114254.db2.gz VPZGHBYWWGOAGA-UHFFFAOYSA-N 2 0 210.365 2.226 50 0 BEAARP CC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC000004312808 168182788 /nfs/dbraw/zinc/18/27/88/168182788.db2.gz PHATVJZYDAORTL-CYBMUJFWSA-N 2 0 210.365 2.251 50 0 BEAARP CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000042783359 168182795 /nfs/dbraw/zinc/18/27/95/168182795.db2.gz QAJRTDTVDJTEER-ZDUSSCGKSA-N 2 0 210.365 2.108 50 0 BEAARP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1 ZINC000019736957 170112970 /nfs/dbraw/zinc/11/29/70/170112970.db2.gz KWHLLNPMYLJHQG-GFCCVEGCSA-N 2 0 206.333 2.337 50 0 BEAARP CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000097109860 171389071 /nfs/dbraw/zinc/38/90/71/171389071.db2.gz AFKDTYBFHJPVJE-AVGNSLFASA-N 2 0 212.381 2.495 50 0 BEAARP C[NH+]1CCC([C@H](C[NH3+])c2ccccc2)CC1 ZINC000082729051 173000377 /nfs/dbraw/zinc/00/03/77/173000377.db2.gz JBLOUKQOILWNCH-CQSZACIVSA-N 2 0 218.344 2.071 50 0 BEAARP C[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000037242077 173322942 /nfs/dbraw/zinc/32/29/42/173322942.db2.gz VUZORLMCLKATJA-UHFFFAOYSA-N 2 0 210.365 2.249 50 0 BEAARP C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000011889144 173338833 /nfs/dbraw/zinc/33/88/33/173338833.db2.gz JXFQDIBOGWDEEL-UHFFFAOYSA-N 2 0 224.373 2.180 50 0 BEAARP C[C@H](c1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000011729499 177039450 /nfs/dbraw/zinc/03/94/50/177039450.db2.gz PFQXDUKLHMLEHY-LLVKDONJSA-N 2 0 204.317 2.171 50 0 BEAARP C[C@H](c1ccccn1)[N@H+](C)CCCn1ccnc1 ZINC000096490573 177042988 /nfs/dbraw/zinc/04/29/88/177042988.db2.gz GYRHFEZQNCLEGH-CYBMUJFWSA-N 2 0 244.342 2.361 50 0 BEAARP C[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000026513929 177075822 /nfs/dbraw/zinc/07/58/22/177075822.db2.gz KLTZAMHUSRKUGQ-LBPRGKRZSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000020180476 177100577 /nfs/dbraw/zinc/10/05/77/177100577.db2.gz TXMHJKJXMIMJLR-STQMWFEESA-N 2 0 210.365 2.251 50 0 BEAARP [NH3+]CC[C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 ZINC000757207524 582558772 /nfs/dbraw/zinc/55/87/72/582558772.db2.gz BSGNWMHODQAODY-YPMHNXCESA-N 2 0 210.365 2.284 50 0 BEAARP CC(C)(C)[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527845 635551567 /nfs/dbraw/zinc/55/15/67/635551567.db2.gz GOQBFBGIOSBJRS-SNVBAGLBSA-N 2 0 242.407 2.032 50 0 BEAARP C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000019946499 342963902 /nfs/dbraw/zinc/96/39/02/342963902.db2.gz YUJLYFFNXJRLDW-SWLSCSKDSA-N 2 0 230.355 2.431 50 0 BEAARP CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2)CC1 ZINC000032916989 343243995 /nfs/dbraw/zinc/24/39/95/343243995.db2.gz YETRLMKXLCJKIZ-UHFFFAOYSA-N 2 0 248.370 2.269 50 0 BEAARP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000065498354 187273766 /nfs/dbraw/zinc/27/37/66/187273766.db2.gz VCZQLEOXZXJBCG-BMQCOBNYSA-N 2 0 230.355 2.371 50 0 BEAARP CC(C)(C)c1cn2c(n1)[C@@H](C[NH3+])CCC2 ZINC000072226606 187276382 /nfs/dbraw/zinc/27/63/82/187276382.db2.gz XDRYWVURGYHVCE-SECBINFHSA-N 2 0 207.321 2.017 50 0 BEAARP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000021302905 181345309 /nfs/dbraw/zinc/34/53/09/181345309.db2.gz TZWXPIKAEAYGPF-AGUYFDCRSA-N 2 0 216.328 2.141 50 0 BEAARP CN1CC[C@H](C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630855 368381027 /nfs/dbraw/zinc/38/10/27/368381027.db2.gz ROGPDGDVTBVNPY-BXKDBHETSA-N 2 0 242.725 2.431 50 0 BEAARP c1cc2c(cc1C[NH+]1CCCCC1)C[NH2+]CCO2 ZINC000169676638 183368112 /nfs/dbraw/zinc/36/81/12/183368112.db2.gz ALDQIUJHEQDBFD-UHFFFAOYSA-N 2 0 246.354 2.155 50 0 BEAARP CCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000075847971 169262679 /nfs/dbraw/zinc/26/26/79/169262679.db2.gz ZFTMSBRKTZIYBZ-STQMWFEESA-N 2 0 210.365 2.251 50 0 BEAARP c1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072158358 183391069 /nfs/dbraw/zinc/39/10/69/183391069.db2.gz JFPKPLBXOBXIML-MRXNPFEDSA-N 2 0 244.382 2.305 50 0 BEAARP c1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000043214551 384266588 /nfs/dbraw/zinc/26/65/88/384266588.db2.gz ACGIBMDROFXDFQ-OAHLLOKOSA-N 2 0 230.355 2.187 50 0 BEAARP CCc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434668 384273850 /nfs/dbraw/zinc/27/38/50/384273850.db2.gz SJEVCUGFBVZRQE-UHFFFAOYSA-N 2 0 232.371 2.338 50 0 BEAARP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000016124128 384454000 /nfs/dbraw/zinc/45/40/00/384454000.db2.gz KIDUZWFJBRQQDB-NSHDSACASA-N 2 0 224.373 2.180 50 0 BEAARP [NH3+]C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000016941947 384473088 /nfs/dbraw/zinc/47/30/88/384473088.db2.gz QJIDWZVKZQJZID-CYBMUJFWSA-N 2 0 236.334 2.039 50 0 BEAARP c1csc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082729009 384707975 /nfs/dbraw/zinc/70/79/75/384707975.db2.gz ICZBDOCCOOFFDD-DGCLKSJQSA-N 2 0 236.384 2.322 50 0 BEAARP C[NH+](C)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000003683431 384991738 /nfs/dbraw/zinc/99/17/38/384991738.db2.gz SCVJJGLNKULIJH-OAHLLOKOSA-N 2 0 232.371 2.085 50 0 BEAARP CC[NH+](CC)CCCN1CCCSCC1 ZINC000170612343 388256966 /nfs/dbraw/zinc/25/69/66/388256966.db2.gz LRFHBIRDNHRIOQ-UHFFFAOYSA-N 2 0 230.421 2.157 50 0 BEAARP C[NH2+]Cc1sccc1C[NH+]1CCCCC1 ZINC000045205677 398039614 /nfs/dbraw/zinc/03/96/14/398039614.db2.gz WYHLQLIXPKFTJS-UHFFFAOYSA-N 2 0 224.373 2.453 50 0 BEAARP CC1CC[NH+](Cc2cccc(C[NH3+])c2)CC1 ZINC000002563877 168184432 /nfs/dbraw/zinc/18/44/32/168184432.db2.gz ZULQRDYUOOXCFV-UHFFFAOYSA-N 2 0 218.344 2.377 50 0 BEAARP C[N@@H+]1CCc2ccccc2[C@@H]1C1CC[NH2+]CC1 ZINC000004043900 173171912 /nfs/dbraw/zinc/17/19/12/173171912.db2.gz PZHSWXZQRBFJRO-HNNXBMFYSA-N 2 0 230.355 2.215 50 0 biogenic BEAARP C[NH2+]C[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000308904061 173379216 /nfs/dbraw/zinc/37/92/16/173379216.db2.gz DBJDEPWRHNZTET-GFCCVEGCSA-N 2 0 216.344 2.058 50 0 BEAARP COc1ccc([C@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)cc1 ZINC000068592362 175198631 /nfs/dbraw/zinc/19/86/31/175198631.db2.gz KCCPEDRPGGXQRU-OCCSQVGLSA-N 2 0 234.343 2.037 50 0 BEAARP C[C@@H](c1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000011729500 176021012 /nfs/dbraw/zinc/02/10/12/176021012.db2.gz PFQXDUKLHMLEHY-NSHDSACASA-N 2 0 204.317 2.171 50 0 BEAARP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000247965623 176097323 /nfs/dbraw/zinc/09/73/23/176097323.db2.gz HWKYDYXTLASTBO-CHWSQXEVSA-N 2 0 210.365 2.108 50 0 BEAARP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000042783357 176097676 /nfs/dbraw/zinc/09/76/76/176097676.db2.gz HWKYDYXTLASTBO-OLZOCXBDSA-N 2 0 210.365 2.108 50 0 BEAARP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH3+])C1 ZINC000021953070 176100778 /nfs/dbraw/zinc/10/07/78/176100778.db2.gz IVLIBJFMPDKULN-GFCCVEGCSA-N 2 0 218.344 2.377 50 0 BEAARP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH3+] ZINC000034268762 176305712 /nfs/dbraw/zinc/30/57/12/176305712.db2.gz RIEQIRVXRYJFPZ-VXGBXAGGSA-N 2 0 218.344 2.102 50 0 BEAARP C[C@H]1CCCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248026294 177077907 /nfs/dbraw/zinc/07/79/07/177077907.db2.gz MFXXXBLYRBZJGN-QWHCGFSZSA-N 2 0 210.365 2.393 50 0 BEAARP CC(C)CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000257183660 519654025 /nfs/dbraw/zinc/65/40/25/519654025.db2.gz SBAYZLLZJXROIY-AWEZNQCLSA-N 2 0 224.392 2.354 50 0 BEAARP [NH3+]CC[C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 ZINC000757207522 582559066 /nfs/dbraw/zinc/55/90/66/582559066.db2.gz BSGNWMHODQAODY-WCQYABFASA-N 2 0 210.365 2.284 50 0 BEAARP CC[N@H+](C)C1(CNc2cc[nH+]c(C)c2)CCCC1 ZINC000584891937 585016365 /nfs/dbraw/zinc/01/63/65/585016365.db2.gz QNHPPJVYSSLGCE-UHFFFAOYSA-N 2 0 247.386 2.488 50 0 BEAARP CC(C)C[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527589 635551748 /nfs/dbraw/zinc/55/17/48/635551748.db2.gz AMROWBDZIGQEOK-NSHDSACASA-N 2 0 242.407 2.032 50 0 BEAARP CC[C@H]([NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12)c1cccs1 ZINC000952976123 644446361 /nfs/dbraw/zinc/44/63/61/644446361.db2.gz KXKQMEAVUUOMJD-QCNOEVLYSA-N 2 0 236.384 2.254 50 0 BEAARP CC[C@H]1CCC[N@H+](CCc2nccn2C)CC1 ZINC000822722754 968533326 /nfs/dbraw/zinc/53/33/26/968533326.db2.gz UJOFAHKOVRCGMF-ZDUSSCGKSA-N 2 0 235.375 2.475 50 0 BEAARP CC(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971739 342699015 /nfs/dbraw/zinc/69/90/15/342699015.db2.gz PEQDENINDULYLR-UHFFFAOYSA-N 2 0 224.392 2.450 50 0 BEAARP Fc1ccc2nccc(N3CCC[NH2+]CC3)c2c1 ZINC000012955371 342861873 /nfs/dbraw/zinc/86/18/73/342861873.db2.gz PGTOPPQZYOFRSL-UHFFFAOYSA-N 2 0 245.301 2.174 50 0 BEAARP C[NH+](C)Cc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000019087950 342941271 /nfs/dbraw/zinc/94/12/71/342941271.db2.gz LNCKQUXKLQJFIZ-CYBMUJFWSA-N 2 0 204.317 2.173 50 0 BEAARP C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccccc1 ZINC000019946507 342963945 /nfs/dbraw/zinc/96/39/45/342963945.db2.gz YUJLYFFNXJRLDW-WFASDCNBSA-N 2 0 230.355 2.431 50 0 BEAARP [NH3+][C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000020261198 342978876 /nfs/dbraw/zinc/97/88/76/342978876.db2.gz XURCCJOGZFFRKU-QWHCGFSZSA-N 2 0 213.284 2.070 50 0 BEAARP [NH3+][C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000020261201 342979133 /nfs/dbraw/zinc/97/91/33/342979133.db2.gz XURCCJOGZFFRKU-OLZOCXBDSA-N 2 0 213.284 2.070 50 0 BEAARP [NH3+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000004218633 187246693 /nfs/dbraw/zinc/24/66/93/187246693.db2.gz LVWBHCPEDVLOCV-UHFFFAOYSA-N 2 0 204.317 2.131 50 0 BEAARP CC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000037083508 343333175 /nfs/dbraw/zinc/33/31/75/343333175.db2.gz YMMDTACRTPLXLJ-ZDUSSCGKSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@H]1CC([NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC000034725292 187256992 /nfs/dbraw/zinc/25/69/92/187256992.db2.gz VVQHCVRZYPYZNW-RYUDHWBXSA-N 2 0 218.344 2.387 50 0 BEAARP CC(C)SCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000308797783 323172068 /nfs/dbraw/zinc/17/20/68/323172068.db2.gz LFWPJIQHHAEEIN-GFCCVEGCSA-N 2 0 230.421 2.059 50 0 BEAARP CN1CC[C@@H](C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630852 368380949 /nfs/dbraw/zinc/38/09/49/368380949.db2.gz ROGPDGDVTBVNPY-JOYOIKCWSA-N 2 0 242.725 2.431 50 0 BEAARP CCC[NH+](CCC)CCC1CC[NH2+]CC1 ZINC000034972534 169147715 /nfs/dbraw/zinc/14/77/15/169147715.db2.gz KMVLCRUSPQVYAO-UHFFFAOYSA-N 2 0 212.381 2.498 50 0 BEAARP c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000061686076 183397660 /nfs/dbraw/zinc/39/76/60/183397660.db2.gz XTNWFMYRGJBRAD-UHFFFAOYSA-N 2 0 230.355 2.262 50 0 BEAARP CC(C)CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000257183661 384050590 /nfs/dbraw/zinc/05/05/90/384050590.db2.gz SBAYZLLZJXROIY-CQSZACIVSA-N 2 0 224.392 2.354 50 0 BEAARP CC(C)[N@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000086702033 384775207 /nfs/dbraw/zinc/77/52/07/384775207.db2.gz YYRUADLLEUTGTO-UHFFFAOYSA-N 2 0 210.365 2.249 50 0 BEAARP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CCc2ccccc2CC1 ZINC000078814860 386391721 /nfs/dbraw/zinc/39/17/21/386391721.db2.gz GPDIWTKRSWQQLY-HZPDHXFCSA-N 2 0 244.382 2.357 50 0 BEAARP Fc1ccc(/C=C/CN2CCC[NH2+]CC2)cc1 ZINC000071544289 388098663 /nfs/dbraw/zinc/09/86/63/388098663.db2.gz KSFKJYBHQKKCMG-HNQUOIGGSA-N 2 0 234.318 2.134 50 0 BEAARP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000066245320 388656632 /nfs/dbraw/zinc/65/66/32/388656632.db2.gz GVEJBNZXYAQPSK-LBPRGKRZSA-N 2 0 246.358 2.107 50 0 BEAARP Cc1cc(N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000000338729 132313512 /nfs/dbraw/zinc/31/35/12/132313512.db2.gz CPWZBTGCZZXKKY-UHFFFAOYSA-N 2 0 241.338 2.295 50 0 BEAARP C[NH2+][C@@H](CC[NH+]1CCCC1)c1ccccc1 ZINC000004269100 397922026 /nfs/dbraw/zinc/92/20/26/397922026.db2.gz GYTHKSBOTQAYRU-AWEZNQCLSA-N 2 0 218.344 2.433 50 0 BEAARP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccccn2)C1 ZINC000250199487 170010075 /nfs/dbraw/zinc/01/00/75/170010075.db2.gz BEXFJZHWRAPRDI-OLZOCXBDSA-N 2 0 233.359 2.074 50 0 BEAARP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000364610350 171365922 /nfs/dbraw/zinc/36/59/22/171365922.db2.gz WGIFPMRHBQYOPK-XQQFMLRXSA-N 2 0 235.375 2.470 50 0 BEAARP C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000011889148 173338885 /nfs/dbraw/zinc/33/88/85/173338885.db2.gz ZCMNLHOSHQVDRP-UHFFFAOYSA-N 2 0 218.344 2.118 50 0 BEAARP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000053034637 173370803 /nfs/dbraw/zinc/37/08/03/173370803.db2.gz CRDDNNOVRLXICC-NSHDSACASA-N 2 0 224.373 2.098 50 0 BEAARP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000090856773 175919726 /nfs/dbraw/zinc/91/97/26/175919726.db2.gz GMJARXCGKSKXFA-VXGBXAGGSA-N 2 0 224.392 2.495 50 0 BEAARP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000002884757 176022367 /nfs/dbraw/zinc/02/23/67/176022367.db2.gz KNCVIVHOXNPVNM-NWDGAFQWSA-N 2 0 204.317 2.028 50 0 BEAARP C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783355 176070915 /nfs/dbraw/zinc/07/09/15/176070915.db2.gz ZMUWLWCDNLMCJL-OLZOCXBDSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000248098806 176071043 /nfs/dbraw/zinc/07/10/43/176071043.db2.gz ZMUWLWCDNLMCJL-CHWSQXEVSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000004986988 176233160 /nfs/dbraw/zinc/23/31/60/176233160.db2.gz IDOOWKSZPRWIPR-NEPJUHHUSA-N 2 0 212.381 2.352 50 0 BEAARP C[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH2+]CC1 ZINC000032917436 177080396 /nfs/dbraw/zinc/08/03/96/177080396.db2.gz FIAARWJTQYTEFE-AAEUAGOBSA-N 2 0 210.365 2.249 50 0 BEAARP CCC(CC)(C[NH3+])CNC[C@H]([NH3+])c1ccccc1 ZINC000888097205 711754440 /nfs/dbraw/zinc/75/44/40/711754440.db2.gz DTBLXELGPBGNRK-AWEZNQCLSA-N 2 0 249.402 2.041 50 0 BEAARP Cc1ccsc1C[NH2+]CCC[NH+](C)C ZINC000005019784 342756933 /nfs/dbraw/zinc/75/69/33/342756933.db2.gz LWZINLSWLKQCKA-UHFFFAOYSA-N 2 0 212.362 2.098 50 0 BEAARP Cc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434619 342836077 /nfs/dbraw/zinc/83/60/77/342836077.db2.gz DWMROJZFXRSYKE-UHFFFAOYSA-N 2 0 218.344 2.084 50 0 BEAARP C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000012370524 342850482 /nfs/dbraw/zinc/85/04/82/342850482.db2.gz PJTVZWBZDHZISX-UHFFFAOYSA-N 2 0 204.317 2.002 50 0 BEAARP CCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000020135906 342971480 /nfs/dbraw/zinc/97/14/80/342971480.db2.gz QBNLOYSRYBLXQT-UHFFFAOYSA-N 2 0 224.392 2.498 50 0 BEAARP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000020270228 342979300 /nfs/dbraw/zinc/97/93/00/342979300.db2.gz YKMPYOXSVIFYBL-CHWSQXEVSA-N 2 0 210.365 2.251 50 0 BEAARP C1CCC([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000004745738 187247602 /nfs/dbraw/zinc/24/76/02/187247602.db2.gz MLSGZDBIXLOEDB-UHFFFAOYSA-N 2 0 222.376 2.489 50 0 BEAARP C1[C@H]2C[C@H]3CCCC[N@@H+]3C[C@H]2[C@@H]2CCCC[NH+]12 ZINC000002480708 356427340 /nfs/dbraw/zinc/42/73/40/356427340.db2.gz ZMEWOHVYLPPUTG-TUVASFSCSA-N 2 0 234.387 2.345 50 0 BEAARP [NH3+]C1CC[NH+](CCCc2ccccc2)CC1 ZINC000011729478 181343145 /nfs/dbraw/zinc/34/31/45/181343145.db2.gz FTWWEFSFFIMPQU-UHFFFAOYSA-N 2 0 218.344 2.042 50 0 BEAARP [NH3+]CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000006658306 181365499 /nfs/dbraw/zinc/36/54/99/181365499.db2.gz BBKPWERLXOCMGO-UHFFFAOYSA-N 2 0 236.334 2.039 50 0 BEAARP CC[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000042783428 384243879 /nfs/dbraw/zinc/24/38/79/384243879.db2.gz CFXPAJNJKWJZCR-GFCCVEGCSA-N 2 0 210.365 2.251 50 0 BEAARP [NH3+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000101075246 384663576 /nfs/dbraw/zinc/66/35/76/384663576.db2.gz DEDUBZVXFIONOV-KKUMJFAQSA-N 2 0 230.355 2.246 50 0 BEAARP CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000248097136 384637262 /nfs/dbraw/zinc/63/72/62/384637262.db2.gz YKMPYOXSVIFYBL-STQMWFEESA-N 2 0 210.365 2.251 50 0 BEAARP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000065454843 385312666 /nfs/dbraw/zinc/31/26/66/385312666.db2.gz ZOVBMTNQJXGUQI-AWEZNQCLSA-N 2 0 232.371 2.392 50 0 BEAARP C[NH2+][C@@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000108480952 388624068 /nfs/dbraw/zinc/62/40/68/388624068.db2.gz HEGQPHRJUUZQNJ-UKRRQHHQSA-N 2 0 232.371 2.159 50 0 BEAARP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000216609867 167112703 /nfs/dbraw/zinc/11/27/03/167112703.db2.gz HJRYJEQUBFLNGH-STQMWFEESA-N 2 0 210.365 2.249 50 0 BEAARP CC(C)[C@@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022916131 167397791 /nfs/dbraw/zinc/39/77/91/167397791.db2.gz RCCFGZZNNHSKTO-CQSZACIVSA-N 2 0 218.344 2.028 50 0 BEAARP CC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000019736990 170112379 /nfs/dbraw/zinc/11/23/79/170112379.db2.gz DEWAPMCDNKXPOL-UHFFFAOYSA-N 2 0 206.333 2.118 50 0 BEAARP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1)C2 ZINC000000198761 173206678 /nfs/dbraw/zinc/20/66/78/173206678.db2.gz IJBWOPMYRYEKGI-GOOCMWNKSA-N 2 0 230.355 2.401 50 0 BEAARP C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180470 176070189 /nfs/dbraw/zinc/07/01/89/176070189.db2.gz MFXXXBLYRBZJGN-OLZOCXBDSA-N 2 0 210.365 2.393 50 0 BEAARP C[C@H](c1ccncc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000067758584 177050583 /nfs/dbraw/zinc/05/05/83/177050583.db2.gz PSMCVJQZJCLSDE-GFCCVEGCSA-N 2 0 233.359 2.074 50 0 BEAARP CC[N@H+](C)C1(C[NH2+]C2CCOCC2)CCCC1 ZINC000534592185 323154608 /nfs/dbraw/zinc/15/46/08/323154608.db2.gz RIHDLNMZGOABLK-UHFFFAOYSA-N 2 0 240.391 2.020 50 0 BEAARP Cc1cc(F)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000050580329 178085798 /nfs/dbraw/zinc/08/57/98/178085798.db2.gz MUFSSIRXIHFBGN-UHFFFAOYSA-N 2 0 236.334 2.305 50 0 BEAARP Clc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434726 342836067 /nfs/dbraw/zinc/83/60/67/342836067.db2.gz MVPNVNSMKDDDSR-UHFFFAOYSA-N 2 0 238.762 2.429 50 0 BEAARP CC[N@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC000019506015 342950184 /nfs/dbraw/zinc/95/01/84/342950184.db2.gz IYWZOOZGPFPPFU-UHFFFAOYSA-N 2 0 210.365 2.393 50 0 BEAARP CCCC[N@H+](CC)Cc1ccc(C[NH3+])o1 ZINC000032919770 343244701 /nfs/dbraw/zinc/24/47/01/343244701.db2.gz ZEXRTTNLMUGITC-UHFFFAOYSA-N 2 0 210.321 2.360 50 0 BEAARP Cc1cc(NCCC[NH+](C)C)c2ccccc2[nH+]1 ZINC000005811687 350941475 /nfs/dbraw/zinc/94/14/75/350941475.db2.gz IHWATXZNSWLUKO-UHFFFAOYSA-N 2 0 243.354 2.329 50 0 BEAARP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCCC1 ZINC000004166935 353269467 /nfs/dbraw/zinc/26/94/67/353269467.db2.gz KRZAPXOIWFZRHV-LBPRGKRZSA-N 2 0 223.364 2.033 50 0 BEAARP C[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC000245229313 324199958 /nfs/dbraw/zinc/19/99/58/324199958.db2.gz TXMHJKJXMIMJLR-CHWSQXEVSA-N 2 0 210.365 2.251 50 0 BEAARP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000089314029 538577841 /nfs/dbraw/zinc/57/78/41/538577841.db2.gz NUTHTPKRXBMKEF-CHWSQXEVSA-N 2 0 242.432 2.344 50 0 BEAARP [NH3+]C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000020533808 181344456 /nfs/dbraw/zinc/34/44/56/181344456.db2.gz VKEURNDOWDDXJE-UHFFFAOYSA-N 2 0 229.327 2.091 50 0 BEAARP [NH3+]CCC1CC[NH+](CCc2ccccc2)CC1 ZINC000035605818 181371227 /nfs/dbraw/zinc/37/12/27/181371227.db2.gz OIPXMJJBHKMWBP-UHFFFAOYSA-N 2 0 232.371 2.290 50 0 BEAARP CCC[NH+]1CCC([NH2+]CCc2ccccn2)CC1 ZINC000019916425 169188306 /nfs/dbraw/zinc/18/83/06/169188306.db2.gz PZPDNJDQOAJWBJ-UHFFFAOYSA-N 2 0 247.386 2.088 50 0 BEAARP c1ccc2c(c1)CC[NH2+][C@H]2CC1CC[NH2+]CC1 ZINC000001296725 383892700 /nfs/dbraw/zinc/89/27/00/383892700.db2.gz IZWALCQMIJVJEF-HNNXBMFYSA-N 2 0 230.355 2.263 50 0 BEAARP Cc1c[nH+]c(CC[C@@H]2CCC[NH2+]2)n1CC1CC1 ZINC000257196203 384141812 /nfs/dbraw/zinc/14/18/12/384141812.db2.gz XUEKVZDASPGRSH-ZDUSSCGKSA-N 2 0 233.359 2.286 50 0 BEAARP CCCC[NH+](CCCC)CCC[NH2+]C ZINC000002170609 384173692 /nfs/dbraw/zinc/17/36/92/384173692.db2.gz JGDRVSWEZYEQOM-UHFFFAOYSA-N 2 0 200.370 2.498 50 0 BEAARP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000019089489 384509548 /nfs/dbraw/zinc/50/95/48/384509548.db2.gz KDPMGDIOCGIION-CQSZACIVSA-N 2 0 218.344 2.390 50 0 BEAARP Cc1cc(C)c[n+](C[n+]2cc(C)cc(C)c2)c1 ZINC000004713069 177888784 /nfs/dbraw/zinc/88/87/84/177888784.db2.gz QELQZYBOSICZNJ-UHFFFAOYSA-N 2 0 228.339 2.001 50 0 BEAARP C[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000066245321 388656438 /nfs/dbraw/zinc/65/64/38/388656438.db2.gz GVEJBNZXYAQPSK-GFCCVEGCSA-N 2 0 246.358 2.107 50 0 BEAARP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261536866 135173093 /nfs/dbraw/zinc/17/30/93/135173093.db2.gz UARPGHQXYFOUAH-NSHDSACASA-N 2 0 206.333 2.383 50 0 BEAARP CC(C)[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000098063897 167115702 /nfs/dbraw/zinc/11/57/02/167115702.db2.gz HJRYJEQUBFLNGH-CHWSQXEVSA-N 2 0 210.365 2.249 50 0 BEAARP CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203931 170120463 /nfs/dbraw/zinc/12/04/63/170120463.db2.gz AMRNWWPARHIDHZ-AWEZNQCLSA-N 2 0 218.344 2.118 50 0 BEAARP C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000075772270 173324346 /nfs/dbraw/zinc/32/43/46/173324346.db2.gz WSABCMHCIKCUJB-STQMWFEESA-N 2 0 232.371 2.362 50 0 BEAARP COc1ccc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)cc1 ZINC000082341588 175186337 /nfs/dbraw/zinc/18/63/37/175186337.db2.gz KCCPEDRPGGXQRU-TZMCWYRMSA-N 2 0 234.343 2.037 50 0 BEAARP C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000026513921 176097871 /nfs/dbraw/zinc/09/78/71/176097871.db2.gz QVOYSWKQIXCAOQ-GFCCVEGCSA-N 2 0 210.365 2.108 50 0 BEAARP C[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000020284046 177101641 /nfs/dbraw/zinc/10/16/41/177101641.db2.gz NVPRDRGHQMCFOS-LBPRGKRZSA-N 2 0 218.344 2.377 50 0 BEAARP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH3+] ZINC000034268761 177267094 /nfs/dbraw/zinc/26/70/94/177267094.db2.gz RIEQIRVXRYJFPZ-RYUDHWBXSA-N 2 0 218.344 2.102 50 0 BEAARP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)SC)[C@H](C)C1 ZINC000245289975 521721134 /nfs/dbraw/zinc/72/11/34/521721134.db2.gz GLBSBOQHIMFMPB-WOPDTQHZSA-N 2 0 230.421 2.058 50 0 BEAARP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000107957714 588422089 /nfs/dbraw/zinc/42/20/89/588422089.db2.gz SZZHVVLUWPTVSE-LBPRGKRZSA-N 2 0 248.370 2.254 50 0 BEAARP Cn1ccnc1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001506402507 988774401 /nfs/dbraw/zinc/77/44/01/988774401.db2.gz NXALHAXLWWDIKD-UONOGXRCSA-N 2 0 247.386 2.475 50 0 BEAARP [NH3+]C[C@@H](c1ccccc1)N1CCCCC1 ZINC000083426011 398281516 /nfs/dbraw/zinc/28/15/16/398281516.db2.gz BZSQHIHHSWIKKO-ZDUSSCGKSA-N 2 0 204.317 2.172 50 0 BEAARP Cc1ccccc1[C@@H](CN)[NH+]1CCCC1 ZINC000038638679 343377971 /nfs/dbraw/zinc/37/79/71/343377971.db2.gz YNHQWQAKKVJUNM-CYBMUJFWSA-N 2 0 204.317 2.091 50 0 BEAARP Cc1ccc([C@H](C[NH3+])N2CCCCC2)cc1 ZINC000038638675 343378088 /nfs/dbraw/zinc/37/80/88/343378088.db2.gz RXHOQWINKPWMFD-AWEZNQCLSA-N 2 0 218.344 2.481 50 0 BEAARP NC(=[NH2+])SCCCCCCCSC(N)=[NH2+] ZINC000013742487 181192704 /nfs/dbraw/zinc/19/27/04/181192704.db2.gz UZHUIDBEDCHVGU-UHFFFAOYSA-N 2 0 248.421 2.190 50 0 BEAARP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000089314028 538575807 /nfs/dbraw/zinc/57/58/07/538575807.db2.gz NUTHTPKRXBMKEF-STQMWFEESA-N 2 0 242.432 2.344 50 0 BEAARP C1CC[NH+]2C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]2C1 ZINC000000157025 359618745 /nfs/dbraw/zinc/61/87/45/359618745.db2.gz SLRCCWJSBJZJBV-KBUPBQIOSA-N 2 0 234.387 2.345 50 0 biogenic BEAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](CC1=CCCCC1)C2 ZINC000426495557 200991316 /nfs/dbraw/zinc/99/13/16/200991316.db2.gz CMGPXFQGCZUWQG-WDNDVIMCSA-N 2 0 220.360 2.156 50 0 BEAARP [NH3+]CCC12CC3CC(C1)CC(CC[NH3+])(C3)C2 ZINC000000333465 181369858 /nfs/dbraw/zinc/36/98/58/181369858.db2.gz ABLOCEKNNGBRGT-UHFFFAOYSA-N 2 0 222.376 2.271 50 0 BEAARP [NH3+]CCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000253495850 181383616 /nfs/dbraw/zinc/38/36/16/181383616.db2.gz SUVLJCQEUOTWIB-UHFFFAOYSA-N 2 0 241.338 2.484 50 0 BEAARP C[C@@]12C[C@H]3C[C@@](CC[NH3+])(C1)C[C@](C[NH3+])(C3)C2 ZINC000383825520 541513981 /nfs/dbraw/zinc/51/39/81/541513981.db2.gz LGRQKGNPTUVCEK-CRWXNKLISA-N 2 0 222.376 2.271 50 0 BEAARP [NH3+]CCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000201535109 368398274 /nfs/dbraw/zinc/39/82/74/368398274.db2.gz ZJTYSPBQHFKZGK-UHFFFAOYSA-N 2 0 227.311 2.094 50 0 BEAARP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000584899528 369046499 /nfs/dbraw/zinc/04/64/99/369046499.db2.gz FEJQFWVQCLUSDB-ZDUSSCGKSA-N 2 0 247.386 2.344 50 0 BEAARP CCCC[C@H]1C=CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000067895027 169012695 /nfs/dbraw/zinc/01/26/95/169012695.db2.gz DXSDGYKXUHQALS-AWEZNQCLSA-N 2 0 222.376 2.417 50 0 BEAARP CCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085389428 169264525 /nfs/dbraw/zinc/26/45/25/169264525.db2.gz ZFTMSBRKTZIYBZ-CHWSQXEVSA-N 2 0 210.365 2.251 50 0 BEAARP [NH3+]CC[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069626487 384051108 /nfs/dbraw/zinc/05/11/08/384051108.db2.gz KAVWBYRANWAVMU-LBPRGKRZSA-N 2 0 210.365 2.380 50 0 BEAARP CC[N@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000042783429 384243793 /nfs/dbraw/zinc/24/37/93/384243793.db2.gz CFXPAJNJKWJZCR-LBPRGKRZSA-N 2 0 210.365 2.251 50 0 BEAARP c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000042783380 384245522 /nfs/dbraw/zinc/24/55/22/384245522.db2.gz ZWSWMTUJAXTPMR-CQSZACIVSA-N 2 0 244.382 2.434 50 0 BEAARP c1ccc2c(c1)CC[N@@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000043214552 384266278 /nfs/dbraw/zinc/26/62/78/384266278.db2.gz ACGIBMDROFXDFQ-HNNXBMFYSA-N 2 0 230.355 2.187 50 0 BEAARP Fc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000160363659 384405177 /nfs/dbraw/zinc/40/51/77/384405177.db2.gz YMHVVHGMGABWQY-UKRRQHHQSA-N 2 0 248.345 2.400 50 0 BEAARP c1ccc2[nH]c(CC3CC[NH2+]CC3)nc2c1 ZINC000015423951 384432551 /nfs/dbraw/zinc/43/25/51/384432551.db2.gz AJDJDMWYUXQCIF-UHFFFAOYSA-N 2 0 215.300 2.105 50 0 BEAARP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3C[NH2+]2)cc1 ZINC000096663766 384470344 /nfs/dbraw/zinc/47/03/44/384470344.db2.gz WBDUGCMYPUIWLB-KLHDSHLOSA-N 2 0 242.366 2.116 50 0 BEAARP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708376 384555651 /nfs/dbraw/zinc/55/56/51/384555651.db2.gz STCVCYHAQNLPFA-OCCSQVGLSA-N 2 0 218.344 2.259 50 0 BEAARP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000100013265 384608768 /nfs/dbraw/zinc/60/87/68/384608768.db2.gz TZWXPIKAEAYGPF-BTTYYORXSA-N 2 0 216.328 2.141 50 0 BEAARP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000101075244 384664285 /nfs/dbraw/zinc/66/42/85/384664285.db2.gz DEDUBZVXFIONOV-SOUVJXGZSA-N 2 0 230.355 2.246 50 0 BEAARP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535409 384775673 /nfs/dbraw/zinc/77/56/73/384775673.db2.gz BCQHUTMQYWHWAV-OLZOCXBDSA-N 2 0 233.359 2.074 50 0 BEAARP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000083378989 384767785 /nfs/dbraw/zinc/76/77/85/384767785.db2.gz OYJLPCYMNGGOOL-UHFFFAOYSA-N 2 0 248.370 2.269 50 0 BEAARP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)SC)[C@H](C)C1 ZINC000090725122 170020701 /nfs/dbraw/zinc/02/07/01/170020701.db2.gz GLBSBOQHIMFMPB-UTUOFQBUSA-N 2 0 230.421 2.058 50 0 BEAARP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000364610348 171389417 /nfs/dbraw/zinc/38/94/17/171389417.db2.gz WGIFPMRHBQYOPK-AVGNSLFASA-N 2 0 235.375 2.470 50 0 BEAARP C[NH+](C)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000003683430 172444108 /nfs/dbraw/zinc/44/41/08/172444108.db2.gz SCVJJGLNKULIJH-HNNXBMFYSA-N 2 0 232.371 2.085 50 0 BEAARP C[NH+]1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000019735507 172984843 /nfs/dbraw/zinc/98/48/43/172984843.db2.gz ZWYATTJEXIADSK-UHFFFAOYSA-N 2 0 232.371 2.161 50 0 BEAARP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000005008136 173166893 /nfs/dbraw/zinc/16/68/93/173166893.db2.gz JGYPHXHSHDDFRM-HNNXBMFYSA-N 2 0 230.355 2.214 50 0 BEAARP C[NH2+]C[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000308904063 173368350 /nfs/dbraw/zinc/36/83/50/173368350.db2.gz DBJDEPWRHNZTET-LBPRGKRZSA-N 2 0 216.344 2.058 50 0 BEAARP COc1ccc([C@@H]2[C@H](C[NH3+])CCC[N@@H+]2C)cc1 ZINC000101397307 175186008 /nfs/dbraw/zinc/18/60/08/175186008.db2.gz KCCPEDRPGGXQRU-GXTWGEPZSA-N 2 0 234.343 2.037 50 0 BEAARP C[C@@H](c1ccncc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000067758582 176034231 /nfs/dbraw/zinc/03/42/31/176034231.db2.gz PSMCVJQZJCLSDE-LBPRGKRZSA-N 2 0 233.359 2.074 50 0 BEAARP C[C@@H]1CC([NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC000034725295 176053490 /nfs/dbraw/zinc/05/34/90/176053490.db2.gz VVQHCVRZYPYZNW-VXGBXAGGSA-N 2 0 218.344 2.387 50 0 BEAARP C[C@H]1CCCC[N@@H+]1C1CN(c2cc[nH+]cc2)C1 ZINC000077455113 177073854 /nfs/dbraw/zinc/07/38/54/177073854.db2.gz IKNHOOVJGLTAGF-LBPRGKRZSA-N 2 0 231.343 2.145 50 0 BEAARP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000238853080 522394685 /nfs/dbraw/zinc/39/46/85/522394685.db2.gz IHQIWSDHRQUUHL-TZMCWYRMSA-N 2 0 218.344 2.116 50 0 BEAARP [NH3+]CC[C@H]1CC[C@H](C2CCCCC2)[NH2+]C1 ZINC000757207520 582559267 /nfs/dbraw/zinc/55/92/67/582559267.db2.gz BSGNWMHODQAODY-DGCLKSJQSA-N 2 0 210.365 2.284 50 0 BEAARP C[C@@H]1CC[C@@H](C[NH3+])[C@H](C2CCCCC2)[NH2+]1 ZINC000757213028 586439495 /nfs/dbraw/zinc/43/94/95/586439495.db2.gz NFZSNJNZLYGKEL-WXHSDQCUSA-N 2 0 210.365 2.282 50 0 BEAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccsc1 ZINC000952982904 644449450 /nfs/dbraw/zinc/44/94/50/644449450.db2.gz QEWGVMPCDYEIPL-UHFFFAOYSA-N 2 0 247.367 2.075 50 0 BEAARP CC(C)(C)C[N@@H+]1CC[C@@H](C2CC[NH2+]CC2)C1 ZINC000071764671 398159636 /nfs/dbraw/zinc/15/96/36/398159636.db2.gz ZZUVBTOBYUELJY-CYBMUJFWSA-N 2 0 224.392 2.354 50 0 BEAARP Cc1cc[n+](CCCC[n+]2ccc(C)cc2)cc1 ZINC000001634284 178309224 /nfs/dbraw/zinc/30/92/24/178309224.db2.gz GGFGIQHGVPPIGP-UHFFFAOYSA-N 2 0 242.366 2.359 50 0 BEAARP C[NH+](C)Cc1ccccc1[C@@H]1CCC[NH2+]1 ZINC000004234792 342744972 /nfs/dbraw/zinc/74/49/72/342744972.db2.gz PAZYNRGJYVNSPV-ZDUSSCGKSA-N 2 0 204.317 2.173 50 0 BEAARP Clc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434621 342836123 /nfs/dbraw/zinc/83/61/23/342836123.db2.gz YSYCHQZTTSFWRT-UHFFFAOYSA-N 2 0 238.762 2.429 50 0 BEAARP C[NH+](C)Cc1ccc([C@H]([NH3+])c2ccncc2)cc1 ZINC000011832613 342843803 /nfs/dbraw/zinc/84/38/03/342843803.db2.gz SQRUTHVJDRPFLH-HNNXBMFYSA-N 2 0 241.338 2.191 50 0 BEAARP [NH3+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000014007997 342875572 /nfs/dbraw/zinc/87/55/72/342875572.db2.gz DEDUBZVXFIONOV-KFWWJZLASA-N 2 0 230.355 2.246 50 0 BEAARP [NH3+][C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000020261195 342979060 /nfs/dbraw/zinc/97/90/60/342979060.db2.gz XURCCJOGZFFRKU-STQMWFEESA-N 2 0 213.284 2.070 50 0 BEAARP C(C[NH+]1CCCCCC1)C1CC[NH2+]CC1 ZINC000004312834 187246630 /nfs/dbraw/zinc/24/66/30/187246630.db2.gz YCJUPXPSGLFKEE-UHFFFAOYSA-N 2 0 210.365 2.252 50 0 BEAARP C[NH+](C)/C=C/C=C1/CCC(/C=C/[NH+](C)C)=CC1=O ZINC000022339645 343272290 /nfs/dbraw/zinc/27/22/90/343272290.db2.gz XNAYAAXLGQZYIM-GRYQQDKKSA-N 2 0 246.354 2.353 50 0 BEAARP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000038409935 343374585 /nfs/dbraw/zinc/37/45/85/343374585.db2.gz ZSWUAMLORPBSTM-CYBMUJFWSA-N 2 0 218.344 2.246 50 0 BEAARP CCC/C=C/C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067560658 187273591 /nfs/dbraw/zinc/27/35/91/187273591.db2.gz CGYAQKXXUQVUIO-SNAWJCMRSA-N 2 0 222.376 2.418 50 0 BEAARP [NH3+]C1CCC([NH2+][C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000094088493 181342088 /nfs/dbraw/zinc/34/20/88/181342088.db2.gz ALHBJBCQLJZYON-PFSRBDOWSA-N 2 0 230.355 2.402 50 0 in-vitro BEAARP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000020786061 367971265 /nfs/dbraw/zinc/97/12/65/367971265.db2.gz SSNKDKKFBJZEQU-GFCCVEGCSA-N 2 0 210.365 2.463 50 0 BEAARP CCC[NH+](CCC)CC[C@@H]1CCC[NH2+]C1 ZINC000034449410 169146676 /nfs/dbraw/zinc/14/66/76/169146676.db2.gz PKRKKEJAJVVWQO-ZDUSSCGKSA-N 2 0 212.381 2.498 50 0 BEAARP c1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072158359 183390973 /nfs/dbraw/zinc/39/09/73/183390973.db2.gz JFPKPLBXOBXIML-INIZCTEOSA-N 2 0 244.382 2.305 50 0 BEAARP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000078210773 183398465 /nfs/dbraw/zinc/39/84/65/183398465.db2.gz TZOUPQXQHUBGOP-CABCVRRESA-N 2 0 230.355 2.261 50 0 BEAARP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000064034162 183399699 /nfs/dbraw/zinc/39/96/99/183399699.db2.gz OFLZQYXCNCHXGP-OAHLLOKOSA-N 2 0 230.355 2.262 50 0 BEAARP CCN(C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000020073342 384571851 /nfs/dbraw/zinc/57/18/51/384571851.db2.gz KYSMEIDAADLRAM-GFCCVEGCSA-N 2 0 210.365 2.393 50 0 BEAARP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000100013521 384608922 /nfs/dbraw/zinc/60/89/22/384608922.db2.gz TZWXPIKAEAYGPF-ZSOGYDGISA-N 2 0 216.328 2.141 50 0 in-vitro BEAARP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000271479664 384735739 /nfs/dbraw/zinc/73/57/39/384735739.db2.gz ISWBWBNTMQYVEX-UKRRQHHQSA-N 2 0 247.386 2.005 50 0 BEAARP C[C@@H](C[NH2+]C1CCCCC1)Cn1ccnc1 ZINC000164466088 384995505 /nfs/dbraw/zinc/99/55/05/384995505.db2.gz RNZXPPDKYHFXAX-LBPRGKRZSA-N 2 0 221.348 2.442 50 0 BEAARP Cc1cc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000065454841 385312161 /nfs/dbraw/zinc/31/21/61/385312161.db2.gz ZOVBMTNQJXGUQI-CQSZACIVSA-N 2 0 232.371 2.392 50 0 BEAARP c1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197793 386557088 /nfs/dbraw/zinc/55/70/88/386557088.db2.gz SJMBBIZZQRMMKC-OAHLLOKOSA-N 2 0 245.370 2.046 50 0 BEAARP CCC1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000170593179 388239538 /nfs/dbraw/zinc/23/95/38/388239538.db2.gz SNGLTDCFQCVELO-UHFFFAOYSA-N 2 0 242.407 2.123 50 0 BEAARP C[NH2+]CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000028427314 173350003 /nfs/dbraw/zinc/35/00/03/173350003.db2.gz MADZGTOTJNLXCR-UHFFFAOYSA-N 2 0 246.276 2.405 50 0 BEAARP COc1ccc([C@H]2[C@H](C[NH3+])CCC[N@@H+]2C)cc1 ZINC000068592365 175198895 /nfs/dbraw/zinc/19/88/95/175198895.db2.gz KCCPEDRPGGXQRU-JSGCOSHPSA-N 2 0 234.343 2.037 50 0 BEAARP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000013494791 177040214 /nfs/dbraw/zinc/04/02/14/177040214.db2.gz KNCVIVHOXNPVNM-NEPJUHHUSA-N 2 0 204.317 2.028 50 0 BEAARP C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000026513923 177098167 /nfs/dbraw/zinc/09/81/67/177098167.db2.gz QVOYSWKQIXCAOQ-LBPRGKRZSA-N 2 0 210.365 2.108 50 0 BEAARP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH3+] ZINC000238855290 177265918 /nfs/dbraw/zinc/26/59/18/177265918.db2.gz RIEQIRVXRYJFPZ-IMRBUKKESA-N 2 0 218.344 2.102 50 0 BEAARP CC[N@H+](C)C1(CNc2cc[nH+]cc2)CCCC1 ZINC000534650437 323157460 /nfs/dbraw/zinc/15/74/60/323157460.db2.gz JINQPZCVCYIZCF-UHFFFAOYSA-N 2 0 233.359 2.180 50 0 BEAARP CC(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000244858625 519320265 /nfs/dbraw/zinc/32/02/65/519320265.db2.gz VOSOEWVKROLXRF-XQQFMLRXSA-N 2 0 212.381 2.399 50 0 BEAARP Cc1cc(NCC2(C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000584901203 342713603 /nfs/dbraw/zinc/71/36/03/342713603.db2.gz LTPNGZMSSAPECR-UHFFFAOYSA-N 2 0 245.370 2.100 50 0 BEAARP C[NH+](C)Cc1ccccc1[C@H]1CCC[NH2+]1 ZINC000004234793 342744918 /nfs/dbraw/zinc/74/49/18/342744918.db2.gz PAZYNRGJYVNSPV-CYBMUJFWSA-N 2 0 204.317 2.173 50 0 BEAARP Cc1ccc2[nH+]c(C)cc(NCC[NH3+])c2c1 ZINC000004949803 342754957 /nfs/dbraw/zinc/75/49/57/342754957.db2.gz KUXHUYLLOZWHQU-UHFFFAOYSA-N 2 0 215.300 2.222 50 0 BEAARP C[NH+](C)Cc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000019087947 342941381 /nfs/dbraw/zinc/94/13/81/342941381.db2.gz LNCKQUXKLQJFIZ-ZDUSSCGKSA-N 2 0 204.317 2.173 50 0 BEAARP Cc1ccc2[nH]c(CC[NH+](C)C)c(CC[NH3+])c2c1 ZINC000032919466 343244433 /nfs/dbraw/zinc/24/44/33/343244433.db2.gz SFUMZHXMXGEGFC-UHFFFAOYSA-N 2 0 245.370 2.082 50 0 BEAARP CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000042783438 343453166 /nfs/dbraw/zinc/45/31/66/343453166.db2.gz XGIIETXEBPAGFH-CQSZACIVSA-N 2 0 218.344 2.118 50 0 BEAARP Cc1ccc(C[NH2+]CC2CC[NH2+]CC2)s1 ZINC000010434659 178604209 /nfs/dbraw/zinc/60/42/09/178604209.db2.gz KMOTYCLJLRFYJM-UHFFFAOYSA-N 2 0 224.373 2.146 50 0 BEAARP C1[C@H]2C[C@H]3CCCC[N@@H+]3C[C@H]2[C@H]2CCCC[NH+]12 ZINC000250941592 192370070 /nfs/dbraw/zinc/37/00/70/192370070.db2.gz ZMEWOHVYLPPUTG-KBUPBQIOSA-N 2 0 234.387 2.345 50 0 BEAARP COc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044515301 188123373 /nfs/dbraw/zinc/12/33/73/188123373.db2.gz IVNFECHEKATUDJ-UHFFFAOYSA-N 2 0 248.370 2.127 50 0 BEAARP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCCCC1 ZINC000004166933 353269966 /nfs/dbraw/zinc/26/99/66/353269966.db2.gz KRZAPXOIWFZRHV-GFCCVEGCSA-N 2 0 223.364 2.033 50 0 BEAARP [NH3+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000002235893 181371268 /nfs/dbraw/zinc/37/12/68/181371268.db2.gz OUYRPOHWEJUTCQ-UHFFFAOYSA-N 2 0 218.344 2.247 50 0 BEAARP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000014007992 181582045 /nfs/dbraw/zinc/58/20/45/181582045.db2.gz DEDUBZVXFIONOV-RBSFLKMASA-N 2 0 230.355 2.246 50 0 BEAARP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH2+]CC1 ZINC000000271523 383850279 /nfs/dbraw/zinc/85/02/79/383850279.db2.gz YQVNQTZYBJFIKT-UHFFFAOYSA-N 2 0 243.354 2.052 50 0 BEAARP c1cn(Cc2ccc(Cn3ccnc3)cc2)cn1 ZINC000001068736 383888602 /nfs/dbraw/zinc/88/86/02/383888602.db2.gz NKUFFYFOBGGDTP-UHFFFAOYSA-N 2 0 238.294 2.176 50 0 BEAARP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000019089486 384509995 /nfs/dbraw/zinc/50/99/95/384509995.db2.gz KDPMGDIOCGIION-AWEZNQCLSA-N 2 0 218.344 2.390 50 0 BEAARP CC(C)[NH+]1CCC([NH2+]CCc2ccccn2)CC1 ZINC000019916417 384559921 /nfs/dbraw/zinc/55/99/21/384559921.db2.gz NVZGFTBJCIQIGU-UHFFFAOYSA-N 2 0 247.386 2.087 50 0 BEAARP CN(Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000020072512 384572106 /nfs/dbraw/zinc/57/21/06/384572106.db2.gz HWUKMLXFIHYODW-CQSZACIVSA-N 2 0 218.344 2.261 50 0 BEAARP C1=C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000230279255 388365043 /nfs/dbraw/zinc/36/50/43/388365043.db2.gz HYJOOBJLHLGLBJ-IHRRRGAJSA-N 2 0 220.360 2.312 50 0 BEAARP CC1CC[NH+](CC2([NH3+])CCCCC2)CC1 ZINC000096463828 168178888 /nfs/dbraw/zinc/17/88/88/168178888.db2.gz SGWXTVZGKKBMPN-UHFFFAOYSA-N 2 0 210.365 2.380 50 0 BEAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000037484186 170017058 /nfs/dbraw/zinc/01/70/58/170017058.db2.gz HFLCJDWLDXYTHT-LLVKDONJSA-N 2 0 224.373 2.180 50 0 BEAARP CC[NH2+]CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000094680774 170111559 /nfs/dbraw/zinc/11/15/59/170111559.db2.gz PWUCREHKUOBMDO-UHFFFAOYSA-N 2 0 248.370 2.214 50 0 BEAARP CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203932 170122884 /nfs/dbraw/zinc/12/28/84/170122884.db2.gz AMRNWWPARHIDHZ-CQSZACIVSA-N 2 0 218.344 2.118 50 0 BEAARP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000004986995 176212001 /nfs/dbraw/zinc/21/20/01/176212001.db2.gz IDOOWKSZPRWIPR-VXGBXAGGSA-N 2 0 212.381 2.352 50 0 BEAARP C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000042783358 177100237 /nfs/dbraw/zinc/10/02/37/177100237.db2.gz HWKYDYXTLASTBO-STQMWFEESA-N 2 0 210.365 2.108 50 0 BEAARP c1cc(N2CC[NH+](CC3CCC3)CC2)cc[nH+]1 ZINC000089884962 491121270 /nfs/dbraw/zinc/12/12/70/491121270.db2.gz ZZOWUDHZTUHKRL-UHFFFAOYSA-N 2 0 231.343 2.004 50 0 BEAARP CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000034978932 535158331 /nfs/dbraw/zinc/15/83/31/535158331.db2.gz YJCBZLNJQRJFOB-UHFFFAOYSA-N 2 0 219.332 2.050 50 0 BEAARP C[C@H](Cc1ccccc1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946829 342963937 /nfs/dbraw/zinc/96/39/37/342963937.db2.gz SDICWGCMDSZILV-CZUORRHYSA-N 2 0 244.382 2.301 50 0 BEAARP CC(C)(C[NH3+])C[NH2+]Cc1ccc(Cl)cc1 ZINC000223671119 344543906 /nfs/dbraw/zinc/54/39/06/344543906.db2.gz JQUZAQLUIZZTQQ-UHFFFAOYSA-N 2 0 226.751 2.415 50 0 BEAARP C(C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000034449441 190985360 /nfs/dbraw/zinc/98/53/60/190985360.db2.gz PDCYDPHFWMESPA-CYBMUJFWSA-N 2 0 210.365 2.252 50 0 BEAARP [NH3+]C1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000031576343 181343154 /nfs/dbraw/zinc/34/31/54/181343154.db2.gz OYRXLTLEMXGPPF-UHFFFAOYSA-N 2 0 243.354 2.134 50 0 BEAARP [NH3+]CCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000034303903 181380116 /nfs/dbraw/zinc/38/01/16/181380116.db2.gz OUHLNBFIDZWJBT-UHFFFAOYSA-N 2 0 216.328 2.125 50 0 BEAARP [NH3+]CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000004810992 181380329 /nfs/dbraw/zinc/38/03/29/181380329.db2.gz QJLUAFKAADLDRO-UHFFFAOYSA-N 2 0 222.332 2.373 50 0 BEAARP Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000584899527 369046571 /nfs/dbraw/zinc/04/65/71/369046571.db2.gz FEJQFWVQCLUSDB-CYBMUJFWSA-N 2 0 247.386 2.344 50 0 BEAARP CCCC[C@@H]1C=CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000067895025 372880094 /nfs/dbraw/zinc/88/00/94/372880094.db2.gz DXSDGYKXUHQALS-CQSZACIVSA-N 2 0 222.376 2.417 50 0 BEAARP CCC[NH+]1CCC([NH2+]C2CC=CC2)CC1 ZINC000095969342 169188965 /nfs/dbraw/zinc/18/89/65/169188965.db2.gz KIBOSTHHCDDZPL-UHFFFAOYSA-N 2 0 208.349 2.169 50 0 BEAARP C[NH+](C)CC(C)(C)C[NH2+]C1Cc2ccccc2C1 ZINC000000757860 383879857 /nfs/dbraw/zinc/87/98/57/383879857.db2.gz IDAJBLFNINRNQH-UHFFFAOYSA-N 2 0 246.398 2.331 50 0 BEAARP [NH3+]CCOc1ccccc1C[NH+]1CCCCC1 ZINC000016941967 384472944 /nfs/dbraw/zinc/47/29/44/384472944.db2.gz ZMPWGRBKEHHDFB-UHFFFAOYSA-N 2 0 234.343 2.010 50 0 BEAARP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000049708357 384558297 /nfs/dbraw/zinc/55/82/97/384558297.db2.gz IHQIWSDHRQUUHL-JSGCOSHPSA-N 2 0 218.344 2.116 50 0 BEAARP CC(C)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000020072519 384569337 /nfs/dbraw/zinc/56/93/37/384569337.db2.gz KNGBJSXFCBIQGY-ZDUSSCGKSA-N 2 0 206.333 2.102 50 0 BEAARP CCN(C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000020073341 384571660 /nfs/dbraw/zinc/57/16/60/384571660.db2.gz KYSMEIDAADLRAM-LBPRGKRZSA-N 2 0 210.365 2.393 50 0 BEAARP [NH3+][C@H]1CCCC[C@H]1[NH+]1CCc2ccccc2CC1 ZINC000078814847 386392781 /nfs/dbraw/zinc/39/27/81/386392781.db2.gz GPDIWTKRSWQQLY-JKSUJKDBSA-N 2 0 244.382 2.357 50 0 BEAARP CC1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000020281587 168183972 /nfs/dbraw/zinc/18/39/72/168183972.db2.gz KIZSJLCCKVRTQU-UHFFFAOYSA-N 2 0 218.344 2.377 50 0 BEAARP C[C@H]([NH3+])C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000097212364 176754972 /nfs/dbraw/zinc/75/49/72/176754972.db2.gz AWONGSNJZJSOQC-LBPRGKRZSA-N 2 0 244.382 2.213 50 0 BEAARP C[C@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000004986992 177204494 /nfs/dbraw/zinc/20/44/94/177204494.db2.gz IDOOWKSZPRWIPR-RYUDHWBXSA-N 2 0 212.381 2.352 50 0 BEAARP C[C@@H]1C[C@H](C)C[N@H+](C2CCN(C)CC2)C1 ZINC000000757844 177312173 /nfs/dbraw/zinc/31/21/73/177312173.db2.gz QPFXNTIHXQIUBD-TXEJJXNPSA-N 2 0 210.365 2.059 50 0 BEAARP Cc1nc2cc(C[NH2+][C@@H]3CCCOC3)ccc2[nH]1 ZINC000670437236 491105369 /nfs/dbraw/zinc/10/53/69/491105369.db2.gz IMDUMOYIMYIFHM-GFCCVEGCSA-N 2 0 245.326 2.140 50 0 BEAARP CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000248537778 521820679 /nfs/dbraw/zinc/82/06/79/521820679.db2.gz AFKDTYBFHJPVJE-YNEHKIRRSA-N 2 0 212.381 2.495 50 0 BEAARP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000003956184 398142802 /nfs/dbraw/zinc/14/28/02/398142802.db2.gz YLMCYUHQYITSIZ-OAHLLOKOSA-N 2 0 230.355 2.262 50 0 BEAARP C1CC[NH+]2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC000001408502 342700107 /nfs/dbraw/zinc/70/01/07/342700107.db2.gz SLRCCWJSBJZJBV-ZQDZILKHSA-N 2 0 234.387 2.345 50 0 biogenic,in-vitro BEAARP CCOc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434662 342836147 /nfs/dbraw/zinc/83/61/47/342836147.db2.gz SNCXSJOCSWFIOX-UHFFFAOYSA-N 2 0 248.370 2.175 50 0 BEAARP CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000248097135 345041644 /nfs/dbraw/zinc/04/16/44/345041644.db2.gz YKMPYOXSVIFYBL-QWHCGFSZSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535413 345109306 /nfs/dbraw/zinc/10/93/06/345109306.db2.gz BCQHUTMQYWHWAV-CHWSQXEVSA-N 2 0 233.359 2.074 50 0 BEAARP Cc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434730 179280365 /nfs/dbraw/zinc/28/03/65/179280365.db2.gz YHTMONOBIYRKTL-UHFFFAOYSA-N 2 0 218.344 2.084 50 0 BEAARP C1[C@H]2C[C@@H]3CCCC[N@@H+]3C[C@H]2[C@H]2CCCC[NH+]12 ZINC000250941596 187396518 /nfs/dbraw/zinc/39/65/18/187396518.db2.gz ZMEWOHVYLPPUTG-LXTVHRRPSA-N 2 0 234.387 2.345 50 0 BEAARP [NH3+]CCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC000095221238 181369922 /nfs/dbraw/zinc/36/99/22/181369922.db2.gz AEIPCPONNXJDMH-UHFFFAOYSA-N 2 0 216.328 2.168 50 0 BEAARP c1ccc2c(c1)CCC([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423238616 383818073 /nfs/dbraw/zinc/81/80/73/383818073.db2.gz RHNRZNLFUQRGPM-INIZCTEOSA-N 2 0 244.382 2.276 50 0 BEAARP CC(C)(C)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067804801 384024717 /nfs/dbraw/zinc/02/47/17/384024717.db2.gz KFJKNCJBTBBZHC-ZDUSSCGKSA-N 2 0 210.365 2.108 50 0 BEAARP CN(Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000020072511 384571387 /nfs/dbraw/zinc/57/13/87/384571387.db2.gz HWUKMLXFIHYODW-AWEZNQCLSA-N 2 0 218.344 2.261 50 0 BEAARP C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000020270219 384610525 /nfs/dbraw/zinc/61/05/25/384610525.db2.gz UETMQEAPDZZSCO-AWEZNQCLSA-N 2 0 218.344 2.118 50 0 BEAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](C/C=C/c3ccco3)C[C@H]21 ZINC000101925338 384695317 /nfs/dbraw/zinc/69/53/17/384695317.db2.gz VVDJIEIDDSSZJW-ZDENEPGRSA-N 2 0 246.354 2.032 50 0 BEAARP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CCc2ccccc2CC1 ZINC000078814862 384714191 /nfs/dbraw/zinc/71/41/91/384714191.db2.gz GPDIWTKRSWQQLY-CVEARBPZSA-N 2 0 244.382 2.357 50 0 BEAARP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000271479661 384735439 /nfs/dbraw/zinc/73/54/39/384735439.db2.gz ISWBWBNTMQYVEX-HIFRSBDPSA-N 2 0 247.386 2.005 50 0 BEAARP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000271479667 384737377 /nfs/dbraw/zinc/73/73/77/384737377.db2.gz ISWBWBNTMQYVEX-ZFWWWQNUSA-N 2 0 247.386 2.005 50 0 BEAARP CSCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055413663 384883761 /nfs/dbraw/zinc/88/37/61/384883761.db2.gz JWYUFTDWMBCDDQ-QWHCGFSZSA-N 2 0 242.432 2.204 50 0 BEAARP [NH3+][C@H]1CCCC[C@@H]1[NH+]1CCc2ccccc2CC1 ZINC000078814857 386392909 /nfs/dbraw/zinc/39/29/09/386392909.db2.gz GPDIWTKRSWQQLY-HOTGVXAUSA-N 2 0 244.382 2.357 50 0 BEAARP CCSC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000426491350 387573758 /nfs/dbraw/zinc/57/37/58/387573758.db2.gz CSIALXJFFOOZBU-LLVKDONJSA-N 2 0 238.400 2.377 50 0 BEAARP C[N@@H+](CC1=CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000426513659 387577867 /nfs/dbraw/zinc/57/78/67/387577867.db2.gz OKNUAZNJOXCHRP-AWEZNQCLSA-N 2 0 222.376 2.418 50 0 BEAARP CC[NH+](CC)[Si](C)(C)[NH+](CC)CC ZINC000169898028 169802706 /nfs/dbraw/zinc/80/27/06/169802706.db2.gz XIFOKLGEKUNZTI-UHFFFAOYSA-N 2 0 202.418 2.372 50 0 BEAARP CC1CC[NH+](C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000169676401 168182215 /nfs/dbraw/zinc/18/22/15/168182215.db2.gz REAIUGWBZYHWFC-CYBMUJFWSA-N 2 0 210.365 2.108 50 0 BEAARP CC1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000020284076 168183693 /nfs/dbraw/zinc/18/36/93/168183693.db2.gz NBBLXVUSEVKIBE-UHFFFAOYSA-N 2 0 218.344 2.377 50 0 BEAARP C[N@@H+]1CCc2ccccc2[C@H]1C1CC[NH2+]CC1 ZINC000004043902 173172264 /nfs/dbraw/zinc/17/22/64/173172264.db2.gz PZHSWXZQRBFJRO-OAHLLOKOSA-N 2 0 230.355 2.215 50 0 biogenic BEAARP C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000075772272 173324066 /nfs/dbraw/zinc/32/40/66/173324066.db2.gz WSABCMHCIKCUJB-CHWSQXEVSA-N 2 0 232.371 2.362 50 0 BEAARP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000026513927 176070578 /nfs/dbraw/zinc/07/05/78/176070578.db2.gz KLTZAMHUSRKUGQ-GFCCVEGCSA-N 2 0 210.365 2.251 50 0 BEAARP [NH3+]CC[C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 ZINC000757207518 582559376 /nfs/dbraw/zinc/55/93/76/582559376.db2.gz BSGNWMHODQAODY-AAEUAGOBSA-N 2 0 210.365 2.284 50 0 BEAARP Cn1ccnc1CC[N@@H+]1CCC2(CCCC2)C1 ZINC001506398674 988776104 /nfs/dbraw/zinc/77/61/04/988776104.db2.gz QDEBLKPQBRKKKR-UHFFFAOYSA-N 2 0 233.359 2.229 50 0 BEAARP CCOc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434680 342836170 /nfs/dbraw/zinc/83/61/70/342836170.db2.gz JFDRRDYMVJYGQY-UHFFFAOYSA-N 2 0 248.370 2.175 50 0 BEAARP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000014008000 342875659 /nfs/dbraw/zinc/87/56/59/342875659.db2.gz DEDUBZVXFIONOV-RRFJBIMHSA-N 2 0 230.355 2.246 50 0 BEAARP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000020270229 342979649 /nfs/dbraw/zinc/97/96/49/342979649.db2.gz YKMPYOXSVIFYBL-OLZOCXBDSA-N 2 0 210.365 2.251 50 0 BEAARP [NH3+]C[C@@H]1C[N@H+](CC2CC2)CC12CCCCC2 ZINC000409419539 344965938 /nfs/dbraw/zinc/96/59/38/344965938.db2.gz YXBJPISJHYUCMI-CYBMUJFWSA-N 2 0 222.376 2.237 50 0 BEAARP Cc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000004821240 179272070 /nfs/dbraw/zinc/27/20/70/179272070.db2.gz GWPCEKVJSLDCLT-UHFFFAOYSA-N 2 0 218.344 2.166 50 0 BEAARP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000000351651 191108979 /nfs/dbraw/zinc/10/89/79/191108979.db2.gz JGYPHXHSHDDFRM-OAHLLOKOSA-N 2 0 230.355 2.214 50 0 BEAARP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044511892 352653992 /nfs/dbraw/zinc/65/39/92/352653992.db2.gz UJRFWQXGIBUFMN-UHFFFAOYSA-N 2 0 248.370 2.256 50 0 BEAARP C(C[NH+]1CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000003883108 188101495 /nfs/dbraw/zinc/10/14/95/188101495.db2.gz CSIMDLOECCBETG-CYBMUJFWSA-N 2 0 210.365 2.395 50 0 BEAARP [NH3+]C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000051693007 181341333 /nfs/dbraw/zinc/34/13/33/181341333.db2.gz GORHIXPUNZTGMZ-UHFFFAOYSA-N 2 0 204.317 2.046 50 0 BEAARP Cc1c[nH+]ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000191978389 364830711 /nfs/dbraw/zinc/83/07/11/364830711.db2.gz FHEVOFXXDMFYKL-UHFFFAOYSA-N 2 0 245.370 2.455 50 0 BEAARP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000020786057 367971241 /nfs/dbraw/zinc/97/12/41/367971241.db2.gz SSNKDKKFBJZEQU-LBPRGKRZSA-N 2 0 210.365 2.463 50 0 BEAARP CCSC[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426563250 206050493 /nfs/dbraw/zinc/05/04/93/206050493.db2.gz PWEOCNKSAQZQRY-LBPRGKRZSA-N 2 0 242.432 2.204 50 0 BEAARP CCC[NH+](CCC)Cc1ccc(C[NH3+])o1 ZINC000032919847 169148417 /nfs/dbraw/zinc/14/84/17/169148417.db2.gz LLZATBWDYFPRMH-UHFFFAOYSA-N 2 0 210.321 2.360 50 0 BEAARP CCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000000219917 169188170 /nfs/dbraw/zinc/18/81/70/169188170.db2.gz DXLWFQFIDAZZCV-UHFFFAOYSA-N 2 0 210.365 2.393 50 0 BEAARP C(CC1CC[NH2+]CC1)CC1CC[NH2+]CC1 ZINC000000105157 383826064 /nfs/dbraw/zinc/82/60/64/383826064.db2.gz OXEZLYIDQPBCBB-UHFFFAOYSA-N 2 0 210.365 2.156 50 0 BEAARP C[NH2+][C@H](CC[NH+]1CCCC1)c1ccccc1 ZINC000002580979 383978662 /nfs/dbraw/zinc/97/86/62/383978662.db2.gz GYTHKSBOTQAYRU-CQSZACIVSA-N 2 0 218.344 2.433 50 0 BEAARP C[C@@H](N)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000038338641 384081764 /nfs/dbraw/zinc/08/17/64/384081764.db2.gz CNACIQJCVBJSFL-DGCLKSJQSA-N 2 0 204.317 2.171 50 0 BEAARP C[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000005177695 384104145 /nfs/dbraw/zinc/10/41/45/384104145.db2.gz FAGCSPRVKJDWBV-UHFFFAOYSA-N 2 0 218.344 2.392 50 0 BEAARP C[NH+](C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000005267074 384109956 /nfs/dbraw/zinc/10/99/56/384109956.db2.gz FACUYLWXOKZJLN-UXBLZVDNSA-N 2 0 218.344 2.241 50 0 BEAARP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1C=CCCC1 ZINC000071915662 384191489 /nfs/dbraw/zinc/19/14/89/384191489.db2.gz BHQMRKSFVDJVDO-AWEZNQCLSA-N 2 0 222.376 2.369 50 0 BEAARP c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000042783379 384244908 /nfs/dbraw/zinc/24/49/08/384244908.db2.gz ZWSWMTUJAXTPMR-AWEZNQCLSA-N 2 0 244.382 2.434 50 0 BEAARP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000020270218 384609436 /nfs/dbraw/zinc/60/94/36/384609436.db2.gz UETMQEAPDZZSCO-CQSZACIVSA-N 2 0 218.344 2.118 50 0 BEAARP C[C@H](C[NH2+]C1CCCCC1)Cn1ccnc1 ZINC000164466207 384995844 /nfs/dbraw/zinc/99/58/44/384995844.db2.gz RNZXPPDKYHFXAX-GFCCVEGCSA-N 2 0 221.348 2.442 50 0 BEAARP CC[NH+](CC)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000169676640 385417396 /nfs/dbraw/zinc/41/73/96/385417396.db2.gz FHAKZDSQVGUYIL-UHFFFAOYSA-N 2 0 234.343 2.010 50 0 BEAARP C[C@@H]([NH2+][C@@H](C)C1CCC1)C1CC[NH+](C)CC1 ZINC000090856772 387455858 /nfs/dbraw/zinc/45/58/58/387455858.db2.gz GMJARXCGKSKXFA-NWDGAFQWSA-N 2 0 224.392 2.495 50 0 BEAARP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000090856765 387456079 /nfs/dbraw/zinc/45/60/79/387456079.db2.gz GMJARXCGKSKXFA-RYUDHWBXSA-N 2 0 224.392 2.495 50 0 BEAARP C([NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000524731976 388679935 /nfs/dbraw/zinc/67/99/35/388679935.db2.gz RKELDYSPHUYTON-UONOGXRCSA-N 2 0 222.376 2.251 50 0 biogenic BEAARP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261536865 135173543 /nfs/dbraw/zinc/17/35/43/135173543.db2.gz UARPGHQXYFOUAH-LLVKDONJSA-N 2 0 206.333 2.383 50 0 BEAARP CC(C)[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000216609910 167115291 /nfs/dbraw/zinc/11/52/91/167115291.db2.gz HJRYJEQUBFLNGH-OLZOCXBDSA-N 2 0 210.365 2.249 50 0 BEAARP CC[NH2+]CC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000228859697 170111604 /nfs/dbraw/zinc/11/16/04/170111604.db2.gz ROQFFGQUJGLDSU-UHFFFAOYSA-N 2 0 247.386 2.212 50 0 BEAARP CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000097109856 171365067 /nfs/dbraw/zinc/36/50/67/171365067.db2.gz AFKDTYBFHJPVJE-XQQFMLRXSA-N 2 0 212.381 2.495 50 0 BEAARP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000016124131 173042492 /nfs/dbraw/zinc/04/24/92/173042492.db2.gz KIDUZWFJBRQQDB-LLVKDONJSA-N 2 0 224.373 2.180 50 0 BEAARP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccccc1)C2 ZINC000000027586 173207507 /nfs/dbraw/zinc/20/75/07/173207507.db2.gz NIFBNIANYCOETB-MQVJKMGUSA-N 2 0 244.382 2.444 50 0 BEAARP C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000019090163 173390739 /nfs/dbraw/zinc/39/07/39/173390739.db2.gz KYDQZFXRJQXNOT-UHFFFAOYSA-N 2 0 204.317 2.002 50 0 BEAARP C[C@@H]1CCCC[N@@H+]1C1CN(c2cc[nH+]cc2)C1 ZINC000077455111 176069031 /nfs/dbraw/zinc/06/90/31/176069031.db2.gz IKNHOOVJGLTAGF-GFCCVEGCSA-N 2 0 231.343 2.145 50 0 BEAARP C[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH2+]CC2)[C@@H]1C ZINC000032917454 176120404 /nfs/dbraw/zinc/12/04/04/176120404.db2.gz RQQVPELTBHOUKM-YRGRVCCFSA-N 2 0 224.392 2.495 50 0 BEAARP C[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH2+]CC1 ZINC000032917439 177087091 /nfs/dbraw/zinc/08/70/91/177087091.db2.gz FIAARWJTQYTEFE-WCQYABFASA-N 2 0 210.365 2.249 50 0 BEAARP C[C@@H]1C[C@@H]([NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000238856378 177364991 /nfs/dbraw/zinc/36/49/91/177364991.db2.gz VVQHCVRZYPYZNW-DABQJJPHSA-N 2 0 218.344 2.387 50 0 BEAARP CC(C)N1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000045650325 487848102 /nfs/dbraw/zinc/84/81/02/487848102.db2.gz LYSFMBILQUBYDJ-OAHLLOKOSA-N 2 0 232.371 2.301 50 0 BEAARP CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000248537777 521936277 /nfs/dbraw/zinc/93/62/77/521936277.db2.gz AFKDTYBFHJPVJE-RWMBFGLXSA-N 2 0 212.381 2.495 50 0 BEAARP CC(C)(C)[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527844 635552009 /nfs/dbraw/zinc/55/20/09/635552009.db2.gz GOQBFBGIOSBJRS-JTQLQIEISA-N 2 0 242.407 2.032 50 0 BEAARP CC[C@@H]1CCC[N@H+](CCc2nccn2C)CC1 ZINC000822722749 968533992 /nfs/dbraw/zinc/53/39/92/968533992.db2.gz UJOFAHKOVRCGMF-CYBMUJFWSA-N 2 0 235.375 2.475 50 0 BEAARP CC(C)(C)C[N@@H+]1CC[C@H](C2CC[NH2+]CC2)C1 ZINC000071764670 398159031 /nfs/dbraw/zinc/15/90/31/398159031.db2.gz ZZUVBTOBYUELJY-ZDUSSCGKSA-N 2 0 224.392 2.354 50 0 BEAARP Cc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000002510444 342721680 /nfs/dbraw/zinc/72/16/80/342721680.db2.gz MFYSUMVTHDCUFZ-UHFFFAOYSA-N 2 0 229.327 2.371 50 0 BEAARP C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000019946496 342963916 /nfs/dbraw/zinc/96/39/16/342963916.db2.gz YUJLYFFNXJRLDW-IUODEOHRSA-N 2 0 230.355 2.431 50 0 in-vitro BEAARP CC(C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCCCC2 ZINC000409419699 344965868 /nfs/dbraw/zinc/96/58/68/344965868.db2.gz SGADROUBVGXYFM-GFCCVEGCSA-N 2 0 210.365 2.236 50 0 BEAARP CC(C)SCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000308797784 323172072 /nfs/dbraw/zinc/17/20/72/323172072.db2.gz LFWPJIQHHAEEIN-LBPRGKRZSA-N 2 0 230.421 2.059 50 0 BEAARP C1=C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090392799 188144099 /nfs/dbraw/zinc/14/40/99/188144099.db2.gz HYJOOBJLHLGLBJ-BFHYXJOUSA-N 2 0 220.360 2.312 50 0 BEAARP C1=C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090392801 188144206 /nfs/dbraw/zinc/14/42/06/188144206.db2.gz HYJOOBJLHLGLBJ-MELADBBJSA-N 2 0 220.360 2.312 50 0 BEAARP [NH3+]CCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000029047182 181397887 /nfs/dbraw/zinc/39/78/87/181397887.db2.gz MTPGMAOIWNBPSP-UHFFFAOYSA-N 2 0 241.338 2.484 50 0 BEAARP CCC[NH+]1CC2CC(C1)C[NH+](CCC)C2 ZINC000034891800 169185152 /nfs/dbraw/zinc/18/51/52/169185152.db2.gz VYWAELGYEIUVKY-UHFFFAOYSA-N 2 0 210.365 2.060 50 0 BEAARP c1ccc(C2([NH+]3CCCC3)CC[NH2+]CC2)cc1 ZINC000071535007 183388025 /nfs/dbraw/zinc/38/80/25/183388025.db2.gz CELGPXSFFNRYAY-UHFFFAOYSA-N 2 0 230.355 2.361 50 0 BEAARP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000064034164 183398238 /nfs/dbraw/zinc/39/82/38/183398238.db2.gz OFLZQYXCNCHXGP-HNNXBMFYSA-N 2 0 230.355 2.262 50 0 BEAARP [NH3+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004218497 384048334 /nfs/dbraw/zinc/04/83/34/384048334.db2.gz ZFGDDEAKGXWYBG-UHFFFAOYSA-N 2 0 204.317 2.131 50 0 BEAARP [NH3+]CC[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069626485 384052394 /nfs/dbraw/zinc/05/23/94/384052394.db2.gz KAVWBYRANWAVMU-GFCCVEGCSA-N 2 0 210.365 2.380 50 0 BEAARP C[C@@H](N)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000038338636 384081250 /nfs/dbraw/zinc/08/12/50/384081250.db2.gz CNACIQJCVBJSFL-YPMHNXCESA-N 2 0 204.317 2.171 50 0 BEAARP Cc1c[nH+]c(CC[C@H]2CCC[NH2+]2)n1CC1CC1 ZINC000257196202 384143175 /nfs/dbraw/zinc/14/31/75/384143175.db2.gz XUEKVZDASPGRSH-CYBMUJFWSA-N 2 0 233.359 2.286 50 0 BEAARP CC(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000032593168 384324478 /nfs/dbraw/zinc/32/44/78/384324478.db2.gz VOSOEWVKROLXRF-YNEHKIRRSA-N 2 0 212.381 2.399 50 0 BEAARP C[NH+](C)Cc1ccc([C@@H]([NH3+])C2CC2)s1 ZINC000096669767 384471557 /nfs/dbraw/zinc/47/15/57/384471557.db2.gz WTMVPDUECZUVPY-NSHDSACASA-N 2 0 210.346 2.220 50 0 BEAARP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000049708377 384558035 /nfs/dbraw/zinc/55/80/35/384558035.db2.gz STCVCYHAQNLPFA-JSGCOSHPSA-N 2 0 218.344 2.259 50 0 BEAARP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000049708355 384558408 /nfs/dbraw/zinc/55/84/08/384558408.db2.gz IHQIWSDHRQUUHL-OCCSQVGLSA-N 2 0 218.344 2.116 50 0 BEAARP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000100276334 384630264 /nfs/dbraw/zinc/63/02/64/384630264.db2.gz IHQIWSDHRQUUHL-GXTWGEPZSA-N 2 0 218.344 2.116 50 0 BEAARP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535407 384776054 /nfs/dbraw/zinc/77/60/54/384776054.db2.gz BCQHUTMQYWHWAV-STQMWFEESA-N 2 0 233.359 2.074 50 0 BEAARP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000008582093 385262133 /nfs/dbraw/zinc/26/21/33/385262133.db2.gz YLMCYUHQYITSIZ-HNNXBMFYSA-N 2 0 230.355 2.262 50 0 BEAARP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000052046761 385620045 /nfs/dbraw/zinc/62/00/45/385620045.db2.gz ZRQKWXGVIBWXES-UHFFFAOYSA-N 2 0 248.374 2.211 50 0 BEAARP c1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197791 386556634 /nfs/dbraw/zinc/55/66/34/386556634.db2.gz SJMBBIZZQRMMKC-HNNXBMFYSA-N 2 0 245.370 2.046 50 0 BEAARP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)oc1C ZINC000067867823 386728233 /nfs/dbraw/zinc/72/82/33/386728233.db2.gz NUHIKOQXEAABIR-UHFFFAOYSA-N 2 0 248.370 2.472 50 0 BEAARP Clc1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000040175317 132347078 /nfs/dbraw/zinc/34/70/78/132347078.db2.gz VZRDBLFATANAIO-UHFFFAOYSA-N 2 0 247.729 2.298 50 0 BEAARP CC(C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128638 167121339 /nfs/dbraw/zinc/12/13/39/167121339.db2.gz XAWCSXZFNDOXPA-UHFFFAOYSA-N 2 0 206.333 2.246 50 0 BEAARP CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000004312806 168179938 /nfs/dbraw/zinc/17/99/38/168179938.db2.gz ODFRNPPHHZRTHH-UHFFFAOYSA-N 2 0 210.365 2.108 50 0 BEAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000037484187 170008580 /nfs/dbraw/zinc/00/85/80/170008580.db2.gz HFLCJDWLDXYTHT-NSHDSACASA-N 2 0 224.373 2.180 50 0 BEAARP C[NH2+]CCC[NH2+]Cc1ccc(SC)cc1 ZINC000002181862 173349795 /nfs/dbraw/zinc/34/97/95/173349795.db2.gz MFXINRHZEFEOML-UHFFFAOYSA-N 2 0 224.373 2.108 50 0 BEAARP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000053034635 173382120 /nfs/dbraw/zinc/38/21/20/173382120.db2.gz CRDDNNOVRLXICC-LLVKDONJSA-N 2 0 224.373 2.098 50 0 BEAARP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000090856770 176907666 /nfs/dbraw/zinc/90/76/66/176907666.db2.gz GMJARXCGKSKXFA-NEPJUHHUSA-N 2 0 224.392 2.495 50 0 BEAARP C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180472 177075483 /nfs/dbraw/zinc/07/54/83/177075483.db2.gz MFXXXBLYRBZJGN-STQMWFEESA-N 2 0 210.365 2.393 50 0 BEAARP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH3+])C1 ZINC000021953073 177101377 /nfs/dbraw/zinc/10/13/77/177101377.db2.gz IVLIBJFMPDKULN-LBPRGKRZSA-N 2 0 218.344 2.377 50 0 BEAARP Cc1nc2cc(C[NH2+][C@H]3CCCOC3)ccc2[nH]1 ZINC000670437237 491105317 /nfs/dbraw/zinc/10/53/17/491105317.db2.gz IMDUMOYIMYIFHM-LBPRGKRZSA-N 2 0 245.326 2.140 50 0 BEAARP C[C@@H]1CC[C@H](C[NH3+])[C@@H](C2CCCCC2)[NH2+]1 ZINC000757213022 582560670 /nfs/dbraw/zinc/56/06/70/582560670.db2.gz NFZSNJNZLYGKEL-RAIGVLPGSA-N 2 0 210.365 2.282 50 0 BEAARP Cc1ccsc1C[N@@H+](C)CCc1nccn1C ZINC001506404409 988774267 /nfs/dbraw/zinc/77/42/67/988774267.db2.gz XSRUZMGERDFWAX-UHFFFAOYSA-N 2 0 249.383 2.465 50 0 BEAARP C[N@H+](CCCCCF)C[C@@]1(C)CC[NH+](C)C1 ZINC001529151977 990334316 /nfs/dbraw/zinc/33/43/16/990334316.db2.gz IGFFXPBNBKPMIV-CYBMUJFWSA-N 2 0 230.371 2.400 50 0 BEAARP CCC(CC)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063158959 168349767 /nfs/dbraw/zinc/34/97/67/168349767.db2.gz ZCCQPXOYVWQLHB-UHFFFAOYSA-N 2 0 212.381 2.354 50 0 BEAARP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000011888996 342844154 /nfs/dbraw/zinc/84/41/54/342844154.db2.gz JHJSPOWOZORBLM-UHFFFAOYSA-N 2 0 218.344 2.166 50 0 BEAARP [NH3+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000014008001 342875583 /nfs/dbraw/zinc/87/55/83/342875583.db2.gz DEDUBZVXFIONOV-ZNMIVQPWSA-N 2 0 230.355 2.246 50 0 BEAARP C[NH+]1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000016124125 342906686 /nfs/dbraw/zinc/90/66/86/342906686.db2.gz KBIMBEKNTLFQHH-UHFFFAOYSA-N 2 0 224.373 2.180 50 0 BEAARP CCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000020176473 342974181 /nfs/dbraw/zinc/97/41/81/342974181.db2.gz GLCNUJMCZXJECY-UHFFFAOYSA-N 2 0 248.370 2.175 50 0 BEAARP [NH3+]C[C@H]1C[N@H+](CC2CC2)CC12CCCCC2 ZINC000409419540 344965900 /nfs/dbraw/zinc/96/59/00/344965900.db2.gz YXBJPISJHYUCMI-ZDUSSCGKSA-N 2 0 222.376 2.237 50 0 BEAARP Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000004821175 179073917 /nfs/dbraw/zinc/07/39/17/179073917.db2.gz FIVPCSYIBIUCNE-UHFFFAOYSA-N 2 0 218.344 2.166 50 0 BEAARP c1cc(C2=[NH+]CCN2)ccc1C[NH+]1CCCCC1 ZINC000040448980 350364644 /nfs/dbraw/zinc/36/46/44/350364644.db2.gz HAVZHDUQJKLRIT-UHFFFAOYSA-N 2 0 243.354 2.022 50 0 BEAARP C1CC[NH+]2C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC000000156956 188096493 /nfs/dbraw/zinc/09/64/93/188096493.db2.gz SLRCCWJSBJZJBV-TUVASFSCSA-N 2 0 234.387 2.345 50 0 biogenic,in-man BEAARP C[NH+](C)Cc1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000065527205 188129755 /nfs/dbraw/zinc/12/97/55/188129755.db2.gz AZTJXCGCSKQHIE-UHFFFAOYSA-N 2 0 227.311 2.392 50 0 BEAARP [NH3+]C1CCC(CC2CCC([NH3+])CC2)CC1 ZINC000000388226 181341031 /nfs/dbraw/zinc/34/10/31/181341031.db2.gz DZIHTWJGPDVSGE-UHFFFAOYSA-N 2 0 210.365 2.412 50 0 BEAARP [NH3+]CC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011889049 181365231 /nfs/dbraw/zinc/36/52/31/181365231.db2.gz SUZFQTCBSFEJIG-UHFFFAOYSA-N 2 0 232.371 2.290 50 0 BEAARP CCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047973143 169186767 /nfs/dbraw/zinc/18/67/67/169186767.db2.gz DPYPIMGFKGAKSC-UHFFFAOYSA-N 2 0 212.381 2.450 50 0 BEAARP CCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170622846 169264530 /nfs/dbraw/zinc/26/45/30/169264530.db2.gz ZFTMSBRKTZIYBZ-OLZOCXBDSA-N 2 0 210.365 2.251 50 0 BEAARP c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729012 183393833 /nfs/dbraw/zinc/39/38/33/183393833.db2.gz DDDAPRBYVQIKCF-CVEARBPZSA-N 2 0 244.382 2.303 50 0 BEAARP c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000036532847 183397395 /nfs/dbraw/zinc/39/73/95/183397395.db2.gz MDBVTGGHEWEATH-UHFFFAOYSA-N 2 0 230.355 2.262 50 0 BEAARP c1ccc2c(c1)CC[NH2+][C@@H]2CC1CC[NH2+]CC1 ZINC000001296726 383894667 /nfs/dbraw/zinc/89/46/67/383894667.db2.gz IZWALCQMIJVJEF-OAHLLOKOSA-N 2 0 230.355 2.263 50 0 BEAARP CC(C)(C)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067804802 384025675 /nfs/dbraw/zinc/02/56/75/384025675.db2.gz KFJKNCJBTBBZHC-CYBMUJFWSA-N 2 0 210.365 2.108 50 0 BEAARP CC(C)c1nc(CN(C)CCn2ccnc2)co1 ZINC000097480160 384525288 /nfs/dbraw/zinc/52/52/88/384525288.db2.gz QDLQBOSOZYUOIK-UHFFFAOYSA-N 2 0 248.330 2.127 50 0 BEAARP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708373 384558749 /nfs/dbraw/zinc/55/87/49/384558749.db2.gz STCVCYHAQNLPFA-TZMCWYRMSA-N 2 0 218.344 2.259 50 0 BEAARP [NH3+]C[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011888296 387251451 /nfs/dbraw/zinc/25/14/51/387251451.db2.gz KAWFFENPODGNHL-ZDUSSCGKSA-N 2 0 210.365 2.237 50 0 BEAARP C[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH2+]CC2)[C@H]1C ZINC000242649006 387937212 /nfs/dbraw/zinc/93/72/12/387937212.db2.gz RQQVPELTBHOUKM-DYEKYZERSA-N 2 0 224.392 2.495 50 0 BEAARP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000065498359 388018704 /nfs/dbraw/zinc/01/87/04/388018704.db2.gz VCZQLEOXZXJBCG-GLNPCMGASA-N 2 0 230.355 2.371 50 0 BEAARP CC(C)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000160377606 388060217 /nfs/dbraw/zinc/06/02/17/388060217.db2.gz QOFSURIPVBSVAS-CHWSQXEVSA-N 2 0 210.365 2.106 50 0 BEAARP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000196570962 397911271 /nfs/dbraw/zinc/91/12/71/397911271.db2.gz GKDRMOQJXZGUAV-AWEZNQCLSA-N 2 0 218.344 2.247 50 0 BEAARP CC1CC[NH+](C[C@H]2CCC[NH2+]CC2)CC1 ZINC000169676402 168182851 /nfs/dbraw/zinc/18/28/51/168182851.db2.gz REAIUGWBZYHWFC-ZDUSSCGKSA-N 2 0 210.365 2.108 50 0 BEAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC000037643757 170016630 /nfs/dbraw/zinc/01/66/30/170016630.db2.gz SDURYEWUMWAFRU-CQSZACIVSA-N 2 0 248.370 2.127 50 0 BEAARP CC[C@H](C)[N@H+](CCC[NH3+])Cc1ccco1 ZINC000032919828 171314177 /nfs/dbraw/zinc/31/41/77/171314177.db2.gz BRHMWGXNPMZNON-NSHDSACASA-N 2 0 210.321 2.229 50 0 BEAARP C[NH2+]CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000011889165 173338269 /nfs/dbraw/zinc/33/82/69/173338269.db2.gz ZUINFQOHZVXDKK-UHFFFAOYSA-N 2 0 236.334 2.257 50 0 BEAARP C[C@@H]([NH3+])C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000097212365 175802056 /nfs/dbraw/zinc/80/20/56/175802056.db2.gz AWONGSNJZJSOQC-GFCCVEGCSA-N 2 0 244.382 2.213 50 0 BEAARP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000013494793 176022351 /nfs/dbraw/zinc/02/23/51/176022351.db2.gz KNCVIVHOXNPVNM-RYUDHWBXSA-N 2 0 204.317 2.028 50 0 BEAARP C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248026293 176072069 /nfs/dbraw/zinc/07/20/69/176072069.db2.gz MFXXXBLYRBZJGN-CHWSQXEVSA-N 2 0 210.365 2.393 50 0 BEAARP C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000020180474 176097760 /nfs/dbraw/zinc/09/77/60/176097760.db2.gz TXMHJKJXMIMJLR-OLZOCXBDSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000020284043 176100462 /nfs/dbraw/zinc/10/04/62/176100462.db2.gz NVPRDRGHQMCFOS-GFCCVEGCSA-N 2 0 218.344 2.377 50 0 BEAARP C[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000248098807 177077235 /nfs/dbraw/zinc/07/72/35/177077235.db2.gz ZMUWLWCDNLMCJL-QWHCGFSZSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783356 177077418 /nfs/dbraw/zinc/07/74/18/177077418.db2.gz ZMUWLWCDNLMCJL-STQMWFEESA-N 2 0 210.365 2.251 50 0 BEAARP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](C2CCCCC2)[NH2+]1 ZINC000757213021 582560855 /nfs/dbraw/zinc/56/08/55/582560855.db2.gz NFZSNJNZLYGKEL-KGYLQXTDSA-N 2 0 210.365 2.282 50 0 BEAARP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000107957716 588421922 /nfs/dbraw/zinc/42/19/22/588421922.db2.gz SZZHVVLUWPTVSE-GFCCVEGCSA-N 2 0 248.370 2.254 50 0 BEAARP CCC(CC)(C[NH3+])CNC[C@@H]([NH3+])c1ccccc1 ZINC000888097206 711754479 /nfs/dbraw/zinc/75/44/79/711754479.db2.gz DTBLXELGPBGNRK-CQSZACIVSA-N 2 0 249.402 2.041 50 0 BEAARP Fc1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000002510442 342721807 /nfs/dbraw/zinc/72/18/07/342721807.db2.gz HAQKVBPVRIFGKX-UHFFFAOYSA-N 2 0 233.290 2.202 50 0 BEAARP CC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000037083507 343333256 /nfs/dbraw/zinc/33/32/56/343333256.db2.gz YMMDTACRTPLXLJ-CYBMUJFWSA-N 2 0 210.365 2.251 50 0 BEAARP Cc1ccc2nc(C)c3c(c2c1)O[C@H](C[NH3+])C3 ZINC000024983769 350511933 /nfs/dbraw/zinc/51/19/33/350511933.db2.gz PAADGCQBAKUTIP-JTQLQIEISA-N 2 0 228.295 2.114 50 0 BEAARP [NH2+]=C(CCCCCC[NH+]1CCCCC1)NO ZINC000003173894 181185355 /nfs/dbraw/zinc/18/53/55/181185355.db2.gz WUIDDWQRBVUWKU-UHFFFAOYSA-N 2 0 227.352 2.379 50 0 BEAARP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000089314026 538576578 /nfs/dbraw/zinc/57/65/78/538576578.db2.gz NUTHTPKRXBMKEF-QWHCGFSZSA-N 2 0 242.432 2.344 50 0 BEAARP [NH3+]CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000016941953 181365729 /nfs/dbraw/zinc/36/57/29/181365729.db2.gz XRSCCBBRBQBBHM-UHFFFAOYSA-N 2 0 236.334 2.039 50 0 BEAARP [NH3+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC000011888987 181365317 /nfs/dbraw/zinc/36/53/17/181365317.db2.gz BVSQSPAHHLJKMD-UHFFFAOYSA-N 2 0 210.365 2.237 50 0 BEAARP [NH3+]CCC[NH2+]CCOc1ccc2ccccc2c1 ZINC000004832571 181382013 /nfs/dbraw/zinc/38/20/13/181382013.db2.gz UAVBSKHERSAVHG-UHFFFAOYSA-N 2 0 244.338 2.157 50 0 BEAARP c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000083328865 183397924 /nfs/dbraw/zinc/39/79/24/183397924.db2.gz TZOUPQXQHUBGOP-LSDHHAIUSA-N 2 0 230.355 2.261 50 0 BEAARP C[NH+](C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000035535566 387367813 /nfs/dbraw/zinc/36/78/13/387367813.db2.gz FACUYLWXOKZJLN-POHAHGRESA-N 2 0 218.344 2.241 50 0 BEAARP C[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH2+]CC2)[C@H]1C ZINC000242649007 387937809 /nfs/dbraw/zinc/93/78/09/387937809.db2.gz RQQVPELTBHOUKM-MBNYWOFBSA-N 2 0 224.392 2.495 50 0 BEAARP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000032593166 322899088 /nfs/dbraw/zinc/89/90/88/322899088.db2.gz VOSOEWVKROLXRF-RWMBFGLXSA-N 2 0 212.381 2.399 50 0 BEAARP C(=C\c1ccccc1)\C[NH2+]CC1CC[NH2+]CC1 ZINC000103378793 410891293 /nfs/dbraw/zinc/89/12/93/410891293.db2.gz OEIDMQTXILJXCW-DAXSKMNVSA-N 2 0 230.355 2.289 50 0 BEAARP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079124028 167113073 /nfs/dbraw/zinc/11/30/73/167113073.db2.gz HJRYJEQUBFLNGH-QWHCGFSZSA-N 2 0 210.365 2.249 50 0 biogenic BEAARP CC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000004312807 168183279 /nfs/dbraw/zinc/18/32/79/168183279.db2.gz PHATVJZYDAORTL-ZDUSSCGKSA-N 2 0 210.365 2.251 50 0 BEAARP C[NH+]1CCC([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000082729050 173000224 /nfs/dbraw/zinc/00/02/24/173000224.db2.gz JBLOUKQOILWNCH-AWEZNQCLSA-N 2 0 218.344 2.071 50 0 BEAARP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000004810750 177039636 /nfs/dbraw/zinc/03/96/36/177039636.db2.gz KNCVIVHOXNPVNM-VXGBXAGGSA-N 2 0 204.317 2.028 50 0 BEAARP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000244858624 519320379 /nfs/dbraw/zinc/32/03/79/519320379.db2.gz VOSOEWVKROLXRF-AVGNSLFASA-N 2 0 212.381 2.399 50 0 BEAARP CC(C)C[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527588 635550955 /nfs/dbraw/zinc/55/09/55/635550955.db2.gz AMROWBDZIGQEOK-LLVKDONJSA-N 2 0 242.407 2.032 50 0 BEAARP CC[C@@H]([NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12)c1cccs1 ZINC000952976105 644446599 /nfs/dbraw/zinc/44/65/99/644446599.db2.gz KXKQMEAVUUOMJD-NOOOWODRSA-N 2 0 236.384 2.254 50 0 BEAARP C[N@H+](CCCCCF)C[C@]1(C)CC[NH+](C)C1 ZINC001529151982 990332371 /nfs/dbraw/zinc/33/23/71/990332371.db2.gz IGFFXPBNBKPMIV-ZDUSSCGKSA-N 2 0 230.371 2.400 50 0 BEAARP C[NH+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000022862554 343056084 /nfs/dbraw/zinc/05/60/84/343056084.db2.gz DYZKQBXFAKPACY-UHFFFAOYSA-N 2 0 204.317 2.000 50 0 BEAARP CC[C@@H](C)[N@H+](CCC[NH3+])Cc1ccco1 ZINC000032919826 343244416 /nfs/dbraw/zinc/24/44/16/343244416.db2.gz BRHMWGXNPMZNON-LLVKDONJSA-N 2 0 210.321 2.229 50 0 BEAARP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000038409934 343374750 /nfs/dbraw/zinc/37/47/50/343374750.db2.gz ZSWUAMLORPBSTM-ZDUSSCGKSA-N 2 0 218.344 2.246 50 0 BEAARP CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000042783439 343453115 /nfs/dbraw/zinc/45/31/15/343453115.db2.gz XGIIETXEBPAGFH-AWEZNQCLSA-N 2 0 218.344 2.118 50 0 BEAARP CC(C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCCCC2 ZINC000409419700 344966253 /nfs/dbraw/zinc/96/62/53/344966253.db2.gz SGADROUBVGXYFM-LBPRGKRZSA-N 2 0 210.365 2.236 50 0 BEAARP C1[C@H]2C[C@@H]3CCCC[N@@H+]3C[C@H]2[C@@H]2CCCC[NH+]12 ZINC000250941587 187396184 /nfs/dbraw/zinc/39/61/84/187396184.db2.gz ZMEWOHVYLPPUTG-BARDWOONSA-N 2 0 234.387 2.345 50 0 BEAARP C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000012370528 187414646 /nfs/dbraw/zinc/41/46/46/187414646.db2.gz KLOQOEPFPGJWNP-UHFFFAOYSA-N 2 0 204.317 2.002 50 0 BEAARP Cc1ccc2nc(C)c3c(c2c1)O[C@@H](C[NH3+])C3 ZINC000024983775 350511531 /nfs/dbraw/zinc/51/15/31/350511531.db2.gz PAADGCQBAKUTIP-SNVBAGLBSA-N 2 0 228.295 2.114 50 0 BEAARP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1ccccc1 ZINC000052048211 181199069 /nfs/dbraw/zinc/19/90/69/181199069.db2.gz BCEPBTQLTSAKDR-UHFFFAOYSA-N 2 0 246.358 2.109 50 0 BEAARP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000089314031 538576362 /nfs/dbraw/zinc/57/63/62/538576362.db2.gz NUTHTPKRXBMKEF-OLZOCXBDSA-N 2 0 242.432 2.344 50 0 BEAARP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)SC)[C@@H](C)C1 ZINC000110704355 358178381 /nfs/dbraw/zinc/17/83/81/358178381.db2.gz GLBSBOQHIMFMPB-SRVKXCTJSA-N 2 0 230.421 2.058 50 0 BEAARP CCSC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000426491351 200989589 /nfs/dbraw/zinc/98/95/89/200989589.db2.gz CSIALXJFFOOZBU-NSHDSACASA-N 2 0 238.400 2.377 50 0 BEAARP CCSC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426563244 206052640 /nfs/dbraw/zinc/05/26/40/206052640.db2.gz PWEOCNKSAQZQRY-GFCCVEGCSA-N 2 0 242.432 2.204 50 0 BEAARP CCC[NH+](CCC)CC[C@H]1CCC[NH2+]C1 ZINC000034449412 169146986 /nfs/dbraw/zinc/14/69/86/169146986.db2.gz PKRKKEJAJVVWQO-CYBMUJFWSA-N 2 0 212.381 2.498 50 0 BEAARP CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968202 169187140 /nfs/dbraw/zinc/18/71/40/169187140.db2.gz CDWSTCKRMHTWKX-UHFFFAOYSA-N 2 0 210.365 2.204 50 0 BEAARP c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000078210772 183399870 /nfs/dbraw/zinc/39/98/70/183399870.db2.gz TZOUPQXQHUBGOP-GJZGRUSLSA-N 2 0 230.355 2.261 50 0 BEAARP c1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000000004105 183443250 /nfs/dbraw/zinc/44/32/50/183443250.db2.gz GUFTZAHBWSLXTM-UHFFFAOYSA-N 2 0 230.355 2.044 50 0 BEAARP c1ccc2c(c1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000034972500 383820861 /nfs/dbraw/zinc/82/08/61/383820861.db2.gz NVLVMHJPPJMYRO-UHFFFAOYSA-N 2 0 244.382 2.434 50 0 BEAARP [NH3+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000004287417 384052362 /nfs/dbraw/zinc/05/23/62/384052362.db2.gz BMNFPARGJHNMAX-UHFFFAOYSA-N 2 0 204.317 2.131 50 0 BEAARP C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000011953340 384305057 /nfs/dbraw/zinc/30/50/57/384305057.db2.gz RKONUTWCBKFEFZ-UHFFFAOYSA-N 2 0 218.344 2.118 50 0 BEAARP CCN(CC)CC[NH2+]CC1CCCCC1 ZINC000096319056 384453554 /nfs/dbraw/zinc/45/35/54/384453554.db2.gz XRZYZFNPFFTJKR-UHFFFAOYSA-N 2 0 212.381 2.498 50 0 BEAARP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000049708374 384558506 /nfs/dbraw/zinc/55/85/06/384558506.db2.gz STCVCYHAQNLPFA-GXTWGEPZSA-N 2 0 218.344 2.259 50 0 BEAARP Cc1ccc(C[NH2+]CCC[NH+](C)C)s1 ZINC000020028161 384571431 /nfs/dbraw/zinc/57/14/31/384571431.db2.gz JHTLCQMYTFPLBZ-UHFFFAOYSA-N 2 0 212.362 2.098 50 0 BEAARP c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082346483 384669110 /nfs/dbraw/zinc/66/91/10/384669110.db2.gz MAIRFDXCHHKPFG-CABCVRRESA-N 2 0 230.355 2.261 50 0 BEAARP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000021949813 384708601 /nfs/dbraw/zinc/70/86/01/384708601.db2.gz ZOKLSRZQDQHBTI-GFCCVEGCSA-N 2 0 210.365 2.251 50 0 BEAARP C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535411 384775470 /nfs/dbraw/zinc/77/54/70/384775470.db2.gz BCQHUTMQYWHWAV-QWHCGFSZSA-N 2 0 233.359 2.074 50 0 BEAARP CCCC[N@H+](CCC[NH3+])Cc1ccco1 ZINC000032919834 385192976 /nfs/dbraw/zinc/19/29/76/385192976.db2.gz PGXOUFAGDCQDCJ-UHFFFAOYSA-N 2 0 210.321 2.231 50 0 BEAARP [NH3+]C[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011888297 387249651 /nfs/dbraw/zinc/24/96/51/387249651.db2.gz KAWFFENPODGNHL-CYBMUJFWSA-N 2 0 210.365 2.237 50 0 BEAARP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000426513661 387579326 /nfs/dbraw/zinc/57/93/26/387579326.db2.gz OKNUAZNJOXCHRP-CQSZACIVSA-N 2 0 222.376 2.418 50 0 BEAARP CC1(C)CC([NH2+]C2CCOCC2)CC(C)(C)[NH2+]1 ZINC000036304372 387907299 /nfs/dbraw/zinc/90/72/99/387907299.db2.gz UOPCEZRTNSLQCV-UHFFFAOYSA-N 2 0 240.391 2.064 50 0 BEAARP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000196570946 397911418 /nfs/dbraw/zinc/91/14/18/397911418.db2.gz GKDRMOQJXZGUAV-CQSZACIVSA-N 2 0 218.344 2.247 50 0 BEAARP C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004271664 397922519 /nfs/dbraw/zinc/92/25/19/397922519.db2.gz VUAOEKGFLXNSAA-UHFFFAOYSA-N 2 0 218.344 2.392 50 0 BEAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC000037643758 170008373 /nfs/dbraw/zinc/00/83/73/170008373.db2.gz SDURYEWUMWAFRU-AWEZNQCLSA-N 2 0 248.370 2.127 50 0 BEAARP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)SC)[C@@H](C)C1 ZINC000110704352 170020873 /nfs/dbraw/zinc/02/08/73/170020873.db2.gz GLBSBOQHIMFMPB-TUAOUCFPSA-N 2 0 230.421 2.058 50 0 BEAARP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1 ZINC000019736956 170112263 /nfs/dbraw/zinc/11/22/63/170112263.db2.gz KWHLLNPMYLJHQG-LBPRGKRZSA-N 2 0 206.333 2.337 50 0 BEAARP C[C@@H]1CC[C@H](C[NH3+])[C@H](C2CCCCC2)[NH2+]1 ZINC000757213024 582560862 /nfs/dbraw/zinc/56/08/62/582560862.db2.gz NFZSNJNZLYGKEL-RTXFEEFZSA-N 2 0 210.365 2.282 50 0 BEAARP