smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1nc(N(C)CC[NH+](C)C)c2c([nH+]1)CN(Cc1ccccc1)CC2 ZINC000012325500 539555256 /nfs/dbraw/zinc/55/52/56/539555256.db2.gz FMOPPKAPJSVOJP-UHFFFAOYSA-N 2 2 368.529 2.099 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944327 539894342 /nfs/dbraw/zinc/89/43/42/539894342.db2.gz KRLGCSCAYUSCFJ-QGZVFWFLSA-N 2 2 365.905 2.000 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944327 539894344 /nfs/dbraw/zinc/89/43/44/539894344.db2.gz KRLGCSCAYUSCFJ-QGZVFWFLSA-N 2 2 365.905 2.000 40 0 FEABLP CC(C)C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000012483459 206292097 /nfs/dbraw/zinc/29/20/97/206292097.db2.gz QUPCWKLCIHVIKF-CSEOROSGSA-N 2 2 374.525 2.040 40 0 biogenic,in-vitro FEABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096055961 542990005 /nfs/dbraw/zinc/99/00/05/542990005.db2.gz IEMMPGFCMXDKOS-PXNSSMCTSA-N 2 2 364.486 2.312 40 0 FEABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096055961 542990007 /nfs/dbraw/zinc/99/00/07/542990007.db2.gz IEMMPGFCMXDKOS-PXNSSMCTSA-N 2 2 364.486 2.312 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096055961 542990009 /nfs/dbraw/zinc/99/00/09/542990009.db2.gz IEMMPGFCMXDKOS-PXNSSMCTSA-N 2 2 364.486 2.312 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096055961 542990011 /nfs/dbraw/zinc/99/00/11/542990011.db2.gz IEMMPGFCMXDKOS-PXNSSMCTSA-N 2 2 364.486 2.312 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccccc1F ZINC000022075282 263384732 /nfs/dbraw/zinc/38/47/32/263384732.db2.gz LVEJKBOZERGZDY-HNNXBMFYSA-N 2 2 362.445 2.473 40 0 FEABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](CCCc2ccccc2)CC1 ZINC000257296820 549725341 /nfs/dbraw/zinc/72/53/41/549725341.db2.gz REMZINLEMSKFCX-FQEVSTJZSA-N 2 2 353.470 2.433 40 0 FEABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000257296820 549725344 /nfs/dbraw/zinc/72/53/44/549725344.db2.gz REMZINLEMSKFCX-FQEVSTJZSA-N 2 2 353.470 2.433 40 0 FEABLP COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)C[NH+]1CCCC1 ZINC000257310045 549726134 /nfs/dbraw/zinc/72/61/34/549726134.db2.gz UDLPPFOIJJFBLP-QGZVFWFLSA-N 2 2 354.454 2.379 40 0 FEABLP Cn1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cn1 ZINC000019715502 539667068 /nfs/dbraw/zinc/66/70/68/539667068.db2.gz KAIYJOWMNMWRQR-CYBMUJFWSA-N 2 2 370.432 2.329 40 0 FEABLP Cn1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cn1 ZINC000019715502 539667073 /nfs/dbraw/zinc/66/70/73/539667073.db2.gz KAIYJOWMNMWRQR-CYBMUJFWSA-N 2 2 370.432 2.329 40 0 FEABLP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000072347648 541801393 /nfs/dbraw/zinc/80/13/93/541801393.db2.gz QCVTZLFJYUZZDY-KRWDZBQOSA-N 2 2 369.513 2.390 40 0 FEABLP CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000072347648 541801396 /nfs/dbraw/zinc/80/13/96/541801396.db2.gz QCVTZLFJYUZZDY-KRWDZBQOSA-N 2 2 369.513 2.390 40 0 FEABLP COc1cc2c(cc1OC)CN(c1cc(NCC[NH+](C)C)nc[nH+]1)CC2 ZINC000243824738 132249938 /nfs/dbraw/zinc/24/99/38/132249938.db2.gz QWNVOEZNDOXAIR-UHFFFAOYSA-N 2 2 357.458 2.030 40 0 FEABLP COc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108128 542992218 /nfs/dbraw/zinc/99/22/18/542992218.db2.gz ZBXGEPHGWDSXHY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108128 542992221 /nfs/dbraw/zinc/99/22/21/542992221.db2.gz ZBXGEPHGWDSXHY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108128 542992223 /nfs/dbraw/zinc/99/22/23/542992223.db2.gz ZBXGEPHGWDSXHY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108128 542992225 /nfs/dbraw/zinc/99/22/25/542992225.db2.gz ZBXGEPHGWDSXHY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(F)cc1 ZINC000022075270 263384995 /nfs/dbraw/zinc/38/49/95/263384995.db2.gz MHVMTYRCUUEZCJ-HNNXBMFYSA-N 2 2 362.445 2.473 40 0 FEABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000225463116 548735624 /nfs/dbraw/zinc/73/56/24/548735624.db2.gz YAKMDGUGEIRSJK-UHFFFAOYSA-N 3 2 366.575 2.363 40 0 biogenic,in-vitro FEABLP CC[NH+](CC)Cc1nc(C2(O)CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000225463116 548735628 /nfs/dbraw/zinc/73/56/28/548735628.db2.gz YAKMDGUGEIRSJK-UHFFFAOYSA-N 2 2 366.575 2.363 40 0 biogenic,in-vitro FEABLP Cc1cn(C)c([C@H]2CCCN(C(=O)CC[N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257251446 549721845 /nfs/dbraw/zinc/72/18/45/549721845.db2.gz JQUJAUHUJAMBTK-SFHVURJKSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1cn(C)c([C@H]2CCCN(C(=O)CC[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257251446 549721847 /nfs/dbraw/zinc/72/18/47/549721847.db2.gz JQUJAUHUJAMBTK-SFHVURJKSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000072379222 541803523 /nfs/dbraw/zinc/80/35/23/541803523.db2.gz OHRICTUJXOCLGD-UHFFFAOYSA-N 2 2 353.470 2.378 40 0 FEABLP Cc1c(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cnn1C ZINC000036752063 205020882 /nfs/dbraw/zinc/02/08/82/205020882.db2.gz BHYUMCIYLQAAHW-OAHLLOKOSA-N 2 2 366.469 2.498 40 0 FEABLP Cc1c(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cnn1C ZINC000036752063 205020885 /nfs/dbraw/zinc/02/08/85/205020885.db2.gz BHYUMCIYLQAAHW-OAHLLOKOSA-N 2 2 366.469 2.498 40 0 FEABLP Cn1cncc1C[N@@H+]1CCC[C@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223488 542996373 /nfs/dbraw/zinc/99/63/73/542996373.db2.gz ZRMVIBAWNBUBOS-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[N@H+]1CCC[C@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223488 542996376 /nfs/dbraw/zinc/99/63/76/542996376.db2.gz ZRMVIBAWNBUBOS-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@]2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223488 542996379 /nfs/dbraw/zinc/99/63/79/542996379.db2.gz ZRMVIBAWNBUBOS-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223488 542996382 /nfs/dbraw/zinc/99/63/82/542996382.db2.gz ZRMVIBAWNBUBOS-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096055957 542990431 /nfs/dbraw/zinc/99/04/31/542990431.db2.gz GNQMCOUGEWWGPN-HKUYNNGSSA-N 2 2 350.459 2.003 40 0 FEABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096055957 542990433 /nfs/dbraw/zinc/99/04/33/542990433.db2.gz GNQMCOUGEWWGPN-HKUYNNGSSA-N 2 2 350.459 2.003 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096055957 542990435 /nfs/dbraw/zinc/99/04/35/542990435.db2.gz GNQMCOUGEWWGPN-HKUYNNGSSA-N 2 2 350.459 2.003 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096055957 542990437 /nfs/dbraw/zinc/99/04/37/542990437.db2.gz GNQMCOUGEWWGPN-HKUYNNGSSA-N 2 2 350.459 2.003 40 0 FEABLP CN(C)c1nc2c(c(N(C)CC[NH+](C)C)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183348 539548442 /nfs/dbraw/zinc/54/84/42/539548442.db2.gz XQXYTVXIJSCFAR-UHFFFAOYSA-N 2 2 368.529 2.099 40 0 FEABLP CN(C)c1nc2c(c(N(C)CC[NH+](C)C)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183348 539548444 /nfs/dbraw/zinc/54/84/44/539548444.db2.gz XQXYTVXIJSCFAR-UHFFFAOYSA-N 2 2 368.529 2.099 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052072 542990058 /nfs/dbraw/zinc/99/00/58/542990058.db2.gz MJUFYZKUQWDMKV-UYAOXDASSA-N 2 2 357.454 2.199 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052072 542990060 /nfs/dbraw/zinc/99/00/60/542990060.db2.gz MJUFYZKUQWDMKV-UYAOXDASSA-N 2 2 357.454 2.199 40 0 FEABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)[C@H]1O ZINC000257314586 549727400 /nfs/dbraw/zinc/72/74/00/549727400.db2.gz UXQAHFPFIIQEAT-YVWKXTFCSA-N 2 2 367.453 2.121 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738979 206022840 /nfs/dbraw/zinc/02/28/40/206022840.db2.gz MJUFYZKUQWDMKV-ICSRJNTNSA-N 2 2 357.454 2.199 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738979 206022847 /nfs/dbraw/zinc/02/28/47/206022847.db2.gz MJUFYZKUQWDMKV-ICSRJNTNSA-N 2 2 357.454 2.199 40 0 FEABLP c1ccc(C[N@H+]2CCOC[C@]3(C[C@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000096240441 542996734 /nfs/dbraw/zinc/99/67/34/542996734.db2.gz MYCMLSNFVDBMNQ-XLIONFOSSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000096240441 542996736 /nfs/dbraw/zinc/99/67/36/542996736.db2.gz MYCMLSNFVDBMNQ-XLIONFOSSA-N 2 2 354.454 2.196 40 0 FEABLP Cn1c[nH+]cc1-c1ccc(CC2CC[NH+](CC3(O)CCOCC3)CC2)cn1 ZINC000257234733 549719932 /nfs/dbraw/zinc/71/99/32/549719932.db2.gz GUWOGQWMJZHEDI-UHFFFAOYSA-N 2 2 370.497 2.278 40 0 FEABLP COCCOc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019593806 539663429 /nfs/dbraw/zinc/66/34/29/539663429.db2.gz HUCXPBSFYDONOQ-HXUWFJFHSA-N 2 2 368.481 2.485 40 0 FEABLP COCCOc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019593806 539663431 /nfs/dbraw/zinc/66/34/31/539663431.db2.gz HUCXPBSFYDONOQ-HXUWFJFHSA-N 2 2 368.481 2.485 40 0 FEABLP Cn1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)n1 ZINC000019715565 539667279 /nfs/dbraw/zinc/66/72/79/539667279.db2.gz KCLSILUWRMHGCY-CYBMUJFWSA-N 2 2 370.432 2.329 40 0 FEABLP Cn1ccc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)n1 ZINC000019715565 539667282 /nfs/dbraw/zinc/66/72/82/539667282.db2.gz KCLSILUWRMHGCY-CYBMUJFWSA-N 2 2 370.432 2.329 40 0 FEABLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000072347647 541801228 /nfs/dbraw/zinc/80/12/28/541801228.db2.gz QCVTZLFJYUZZDY-QGZVFWFLSA-N 2 2 369.513 2.390 40 0 FEABLP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000072347647 541801230 /nfs/dbraw/zinc/80/12/30/541801230.db2.gz QCVTZLFJYUZZDY-QGZVFWFLSA-N 2 2 369.513 2.390 40 0 FEABLP CC[C@H](C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccncc2)[nH+]1 ZINC000328974807 203844692 /nfs/dbraw/zinc/84/46/92/203844692.db2.gz FGRRYZJGELEWMO-HNNXBMFYSA-N 2 2 354.502 2.394 40 0 FEABLP c1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000107243549 206018039 /nfs/dbraw/zinc/01/80/39/206018039.db2.gz MYCMLSNFVDBMNQ-PXNSSMCTSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000107243549 206018044 /nfs/dbraw/zinc/01/80/44/206018044.db2.gz MYCMLSNFVDBMNQ-PXNSSMCTSA-N 2 2 354.454 2.196 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)nc[nH+]1 ZINC000248084100 132291980 /nfs/dbraw/zinc/29/19/80/132291980.db2.gz DCPPSZOKGHTUPJ-KRWDZBQOSA-N 2 2 359.518 2.117 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)nc[nH+]1 ZINC000248084100 132291982 /nfs/dbraw/zinc/29/19/82/132291982.db2.gz DCPPSZOKGHTUPJ-KRWDZBQOSA-N 2 2 359.518 2.117 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)[nH+]cn1 ZINC000248084100 132291985 /nfs/dbraw/zinc/29/19/85/132291985.db2.gz DCPPSZOKGHTUPJ-KRWDZBQOSA-N 2 2 359.518 2.117 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)[nH+]cn1 ZINC000248084100 132291987 /nfs/dbraw/zinc/29/19/87/132291987.db2.gz DCPPSZOKGHTUPJ-KRWDZBQOSA-N 2 2 359.518 2.117 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096062331 542990254 /nfs/dbraw/zinc/99/02/54/542990254.db2.gz QVNNRKCCLKSKGH-NRFANRHFSA-N 2 2 360.498 2.399 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096062331 542990258 /nfs/dbraw/zinc/99/02/58/542990258.db2.gz QVNNRKCCLKSKGH-NRFANRHFSA-N 2 2 360.498 2.399 40 0 FEABLP COc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096062331 542990260 /nfs/dbraw/zinc/99/02/60/542990260.db2.gz QVNNRKCCLKSKGH-NRFANRHFSA-N 2 2 360.498 2.399 40 0 FEABLP COc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096062331 542990262 /nfs/dbraw/zinc/99/02/62/542990262.db2.gz QVNNRKCCLKSKGH-NRFANRHFSA-N 2 2 360.498 2.399 40 0 FEABLP c1cc2c(cc1C[N@@H+]1CCc3nc([C@H]4CCC[NH2+]4)ncc3C1)OCCO2 ZINC000019345795 539656457 /nfs/dbraw/zinc/65/64/57/539656457.db2.gz JVEBQPLPEUYRLB-QGZVFWFLSA-N 2 2 352.438 2.231 40 0 FEABLP c1cc2c(cc1C[N@H+]1CCc3nc([C@H]4CCC[NH2+]4)ncc3C1)OCCO2 ZINC000019345795 539656461 /nfs/dbraw/zinc/65/64/61/539656461.db2.gz JVEBQPLPEUYRLB-QGZVFWFLSA-N 2 2 352.438 2.231 40 0 FEABLP Cc1c2ccccc2[nH]c1-c1c[nH+]cn1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019719638 539668065 /nfs/dbraw/zinc/66/80/65/539668065.db2.gz UUQBJSSAAFERBD-CQSZACIVSA-N 2 2 358.467 2.117 40 0 FEABLP COc1cc2c(cc1C[N@@H+]1CCn3c(nnc3C3CC[NH2+]CC3)C1)CCC2 ZINC000072372116 541802005 /nfs/dbraw/zinc/80/20/05/541802005.db2.gz MEYXRBGARNWTDU-UHFFFAOYSA-N 2 2 367.497 2.258 40 0 FEABLP COc1cc2c(cc1C[N@H+]1CCn3c(nnc3C3CC[NH2+]CC3)C1)CCC2 ZINC000072372116 541802006 /nfs/dbraw/zinc/80/20/06/541802006.db2.gz MEYXRBGARNWTDU-UHFFFAOYSA-N 2 2 367.497 2.258 40 0 FEABLP C[NH+]1CCN(C2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000019369629 206334674 /nfs/dbraw/zinc/33/46/74/206334674.db2.gz MBHSJLXTRRGKBG-UHFFFAOYSA-N 3 2 356.558 2.363 40 0 FEABLP c1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000096240442 542997183 /nfs/dbraw/zinc/99/71/83/542997183.db2.gz MYCMLSNFVDBMNQ-YLJYHZDGSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000096240442 542997184 /nfs/dbraw/zinc/99/71/84/542997184.db2.gz MYCMLSNFVDBMNQ-YLJYHZDGSA-N 2 2 354.454 2.196 40 0 FEABLP Cn1cncc1C[N@@H+]1CCC[C@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000306144888 553751511 /nfs/dbraw/zinc/75/15/11/553751511.db2.gz ZRMVIBAWNBUBOS-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[N@H+]1CCC[C@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000306144888 553751513 /nfs/dbraw/zinc/75/15/13/553751513.db2.gz ZRMVIBAWNBUBOS-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@]2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000306144888 553751514 /nfs/dbraw/zinc/75/15/14/553751514.db2.gz ZRMVIBAWNBUBOS-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@]2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000306144888 553751516 /nfs/dbraw/zinc/75/15/16/553751516.db2.gz ZRMVIBAWNBUBOS-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2c[nH+]c(C)n2C)n1 ZINC000019573788 539662381 /nfs/dbraw/zinc/66/23/81/539662381.db2.gz DVGZTSUMOLFHEF-SFHVURJKSA-N 2 2 357.458 2.198 40 0 FEABLP Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2c[nH+]c(C)n2C)n1 ZINC000019573788 539662385 /nfs/dbraw/zinc/66/23/85/539662385.db2.gz DVGZTSUMOLFHEF-SFHVURJKSA-N 2 2 357.458 2.198 40 0 FEABLP COc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CC[NH2+]C4)CC1)CCC2 ZINC000019711171 539667017 /nfs/dbraw/zinc/66/70/17/539667017.db2.gz YKBCIVHOFAARPN-UHFFFAOYSA-N 2 2 367.497 2.258 40 0 FEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019287718 539655057 /nfs/dbraw/zinc/65/50/57/539655057.db2.gz KGEIYZVEPHYQIF-KDOFPFPSSA-N 2 2 368.485 2.017 40 0 FEABLP S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1 ZINC000012602387 291054923 /nfs/dbraw/zinc/05/49/23/291054923.db2.gz RXUYUMJIJXCVCX-YESZJQIVSA-N 2 2 362.543 2.050 40 0 biogenic,in-vitro FEABLP S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1 ZINC000012602387 291054924 /nfs/dbraw/zinc/05/49/24/291054924.db2.gz RXUYUMJIJXCVCX-YESZJQIVSA-N 2 2 362.543 2.050 40 0 biogenic,in-vitro FEABLP Cn1ccnc1C[N@@H+]1CCC[C@@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000107228876 209274944 /nfs/dbraw/zinc/27/49/44/209274944.db2.gz NJAGUJZWYQEFOL-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[N@H+]1CCC[C@@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000107228876 209274946 /nfs/dbraw/zinc/27/49/46/209274946.db2.gz NJAGUJZWYQEFOL-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@@]2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000107228876 209274949 /nfs/dbraw/zinc/27/49/49/209274949.db2.gz NJAGUJZWYQEFOL-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@@]2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000107228876 209274950 /nfs/dbraw/zinc/27/49/50/209274950.db2.gz NJAGUJZWYQEFOL-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP C[NH+](C)CCNc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc[nH+]1 ZINC000329030765 132372908 /nfs/dbraw/zinc/37/29/08/132372908.db2.gz QGFVNZGUFWGDEX-UHFFFAOYSA-N 2 2 355.486 2.240 40 0 FEABLP O=C(NCc1cccs1)[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247475527 549339739 /nfs/dbraw/zinc/33/97/39/549339739.db2.gz HAGIBZJBVXSHQV-QGZVFWFLSA-N 2 2 360.483 2.044 40 0 FEABLP O=C(NCc1cccs1)[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247475527 549339740 /nfs/dbraw/zinc/33/97/40/549339740.db2.gz HAGIBZJBVXSHQV-QGZVFWFLSA-N 2 2 360.483 2.044 40 0 FEABLP CC(C)CC[NH+]1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465173 548734934 /nfs/dbraw/zinc/73/49/34/548734934.db2.gz VKGBHVQFDFKKKH-OAHLLOKOSA-N 2 2 353.532 2.039 40 0 biogenic,in-vitro FEABLP CC(C)CC[NH+]1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465173 548734940 /nfs/dbraw/zinc/73/49/40/548734940.db2.gz VKGBHVQFDFKKKH-OAHLLOKOSA-N 2 2 353.532 2.039 40 0 biogenic,in-vitro FEABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]23)[nH+]c1 ZINC000306131310 553749057 /nfs/dbraw/zinc/74/90/57/553749057.db2.gz KBFQUGBFDLFMMY-FRQCXROJSA-N 2 2 353.422 2.369 40 0 FEABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]23)[nH+]c1 ZINC000306131310 553749059 /nfs/dbraw/zinc/74/90/59/553749059.db2.gz KBFQUGBFDLFMMY-FRQCXROJSA-N 2 2 353.422 2.369 40 0 FEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019287719 539654623 /nfs/dbraw/zinc/65/46/23/539654623.db2.gz KGEIYZVEPHYQIF-KBXCAEBGSA-N 2 2 368.485 2.017 40 0 FEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019287780 539655096 /nfs/dbraw/zinc/65/50/96/539655096.db2.gz QLLZXRNVFYMOTL-MRXNPFEDSA-N 2 2 372.469 2.177 40 0 FEABLP O=C(NCc1cccs1)[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247475520 549340553 /nfs/dbraw/zinc/34/05/53/549340553.db2.gz HAGIBZJBVXSHQV-KRWDZBQOSA-N 2 2 360.483 2.044 40 0 FEABLP O=C(NCc1cccs1)[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247475520 549340558 /nfs/dbraw/zinc/34/05/58/549340558.db2.gz HAGIBZJBVXSHQV-KRWDZBQOSA-N 2 2 360.483 2.044 40 0 FEABLP Cc1cn(C)c([C@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)[nH+]1 ZINC000257212516 549719123 /nfs/dbraw/zinc/71/91/23/549719123.db2.gz CDUITSRZIKCFRH-KRWDZBQOSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1cn(C)c([C@H]2CCCN(C(=O)CC[N@@H+](C)Cc3ccccn3)C2)[nH+]1 ZINC000257212516 549719128 /nfs/dbraw/zinc/71/91/28/549719128.db2.gz CDUITSRZIKCFRH-KRWDZBQOSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)[nH+]1 ZINC000257264821 549723149 /nfs/dbraw/zinc/72/31/49/549723149.db2.gz LWCULIZCYNCHRH-SFHVURJKSA-N 2 2 357.458 2.033 40 0 FEABLP CC1CCN(c2ncc(C[NH+]3CCC(N(C)CC[NH+](C)C)CC3)cn2)CC1 ZINC000019497088 539658717 /nfs/dbraw/zinc/65/87/17/539658717.db2.gz CWGYILINZVLULC-UHFFFAOYSA-N 2 2 374.577 2.171 40 0 FEABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072379220 541803512 /nfs/dbraw/zinc/80/35/12/541803512.db2.gz ROKVBQFROGYTBZ-QGZVFWFLSA-N 2 2 353.470 2.378 40 0 FEABLP O=C(NCCc1cccs1)[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247508111 549348093 /nfs/dbraw/zinc/34/80/93/549348093.db2.gz SARGRHCRTWWMIG-GOSISDBHSA-N 2 2 374.510 2.087 40 0 FEABLP O=C(NCCc1cccs1)[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247508111 549348096 /nfs/dbraw/zinc/34/80/96/549348096.db2.gz SARGRHCRTWWMIG-GOSISDBHSA-N 2 2 374.510 2.087 40 0 FEABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](C(C)C)CC2)cs1 ZINC000225466184 548735415 /nfs/dbraw/zinc/73/54/15/548735415.db2.gz XJRMTDQLHFYXCY-OAHLLOKOSA-N 2 2 353.532 2.446 40 0 biogenic,in-vitro FEABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](C(C)C)CC2)cs1 ZINC000225466184 548735423 /nfs/dbraw/zinc/73/54/23/548735423.db2.gz XJRMTDQLHFYXCY-OAHLLOKOSA-N 2 2 353.532 2.446 40 0 biogenic,in-vitro FEABLP Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000019289977 539655026 /nfs/dbraw/zinc/65/50/26/539655026.db2.gz KUAYJQIPFSJUBZ-MRXNPFEDSA-N 2 2 366.469 2.193 40 0 FEABLP COc1cc2c(cc1C[N@@H+]1CCn3c(nnc3[C@@H]3CCC[NH2+]C3)C1)CCC2 ZINC000072372135 541802014 /nfs/dbraw/zinc/80/20/14/541802014.db2.gz XLXLACQZDXCFJT-QGZVFWFLSA-N 2 2 367.497 2.258 40 0 FEABLP COc1cc2c(cc1C[N@H+]1CCn3c(nnc3[C@@H]3CCC[NH2+]C3)C1)CCC2 ZINC000072372135 541802015 /nfs/dbraw/zinc/80/20/15/541802015.db2.gz XLXLACQZDXCFJT-QGZVFWFLSA-N 2 2 367.497 2.258 40 0 FEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096056122 209104771 /nfs/dbraw/zinc/10/47/71/209104771.db2.gz KVEIMEWFWRLPCC-RXVVDRJESA-N 2 2 368.481 2.481 40 0 FEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096056122 209104775 /nfs/dbraw/zinc/10/47/75/209104775.db2.gz KVEIMEWFWRLPCC-RXVVDRJESA-N 2 2 368.481 2.481 40 0 FEABLP CNC(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257231644 549720048 /nfs/dbraw/zinc/72/00/48/549720048.db2.gz GHPSQPHJPLOEDD-INIZCTEOSA-N 2 2 368.485 2.466 40 0 FEABLP CNC(=O)C[N@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257231644 549720050 /nfs/dbraw/zinc/72/00/50/549720050.db2.gz GHPSQPHJPLOEDD-INIZCTEOSA-N 2 2 368.485 2.466 40 0 FEABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257274762 549723348 /nfs/dbraw/zinc/72/33/48/549723348.db2.gz NMMVYHANXAUBII-MRXNPFEDSA-N 2 2 351.458 2.392 40 0 FEABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257274762 549723351 /nfs/dbraw/zinc/72/33/51/549723351.db2.gz NMMVYHANXAUBII-MRXNPFEDSA-N 2 2 351.458 2.392 40 0 FEABLP CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329004411 571134595 /nfs/dbraw/zinc/13/45/95/571134595.db2.gz KSEZGSFBRQJENN-OAHLLOKOSA-N 2 2 369.513 2.629 40 0 FEABLP CN(C)c1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333281702 571148104 /nfs/dbraw/zinc/14/81/04/571148104.db2.gz HRWSVRUOKXTDCE-HNNXBMFYSA-N 2 2 368.279 2.127 40 0 FEABLP CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000012221309 219969481 /nfs/dbraw/zinc/96/94/81/219969481.db2.gz FFQWKAGMTACAKL-UHFFFAOYSA-N 2 2 357.502 2.341 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1cccs1 ZINC000022076397 263385007 /nfs/dbraw/zinc/38/50/07/263385007.db2.gz WACBTRNTGQDLSB-CQSZACIVSA-N 2 2 350.484 2.396 40 0 FEABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)[nH+]1 ZINC000257212517 549718514 /nfs/dbraw/zinc/71/85/14/549718514.db2.gz CDUITSRZIKCFRH-QGZVFWFLSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)CC[N@@H+](C)Cc3ccccn3)C2)[nH+]1 ZINC000257212517 549718517 /nfs/dbraw/zinc/71/85/17/549718517.db2.gz CDUITSRZIKCFRH-QGZVFWFLSA-N 2 2 355.486 2.352 40 0 FEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257216813 549718648 /nfs/dbraw/zinc/71/86/48/549718648.db2.gz CWEDRBINMQLUNM-LJQANCHMSA-N 2 2 356.470 2.246 40 0 FEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257216813 549718650 /nfs/dbraw/zinc/71/86/50/549718650.db2.gz CWEDRBINMQLUNM-LJQANCHMSA-N 2 2 356.470 2.246 40 0 FEABLP CCCC[N@@H+]1CC[C@]2(C1)COCc1cnc(NCc3c[nH+]cn3C)nc12 ZINC000306142465 553751259 /nfs/dbraw/zinc/75/12/59/553751259.db2.gz WZUIZMFTKIKYIL-IBGZPJMESA-N 2 2 356.474 2.096 40 0 FEABLP CCCC[N@H+]1CC[C@]2(C1)COCc1cnc(NCc3c[nH+]cn3C)nc12 ZINC000306142465 553751262 /nfs/dbraw/zinc/75/12/62/553751262.db2.gz WZUIZMFTKIKYIL-IBGZPJMESA-N 2 2 356.474 2.096 40 0 FEABLP COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC3)cc1 ZINC000585111265 571226802 /nfs/dbraw/zinc/22/68/02/571226802.db2.gz LUILBDXFCAPFND-SFHVURJKSA-N 2 2 368.481 2.428 40 0 FEABLP COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC3)cc1 ZINC000585111265 571226804 /nfs/dbraw/zinc/22/68/04/571226804.db2.gz LUILBDXFCAPFND-SFHVURJKSA-N 2 2 368.481 2.428 40 0 FEABLP Cc1nonc1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019654528 539664071 /nfs/dbraw/zinc/66/40/71/539664071.db2.gz JTNZTCNVYPQFJA-CYBMUJFWSA-N 2 2 354.414 2.148 40 0 FEABLP Cc1nonc1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019654528 539664074 /nfs/dbraw/zinc/66/40/74/539664074.db2.gz JTNZTCNVYPQFJA-CYBMUJFWSA-N 2 2 354.414 2.148 40 0 FEABLP Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)C[NH+](C)C)CC2)[nH+]1 ZINC000072352108 541800936 /nfs/dbraw/zinc/80/09/36/541800936.db2.gz LBSPXTPYGDBHSW-UHFFFAOYSA-N 2 2 359.518 2.482 40 0 FEABLP Cn1cncc1C[N@@H+]1CCC[C@@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223492 209139666 /nfs/dbraw/zinc/13/96/66/209139666.db2.gz ZRMVIBAWNBUBOS-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[N@H+]1CCC[C@@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223492 209139669 /nfs/dbraw/zinc/13/96/69/209139669.db2.gz ZRMVIBAWNBUBOS-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@@]2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223492 209139670 /nfs/dbraw/zinc/13/96/70/209139670.db2.gz ZRMVIBAWNBUBOS-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223492 209139672 /nfs/dbraw/zinc/13/96/72/209139672.db2.gz ZRMVIBAWNBUBOS-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cc(C[NH+]2CCC3(CC2)[NH2+]CCn2c(-c4ccccc4)cnc23)cn1 ZINC000096037099 209098865 /nfs/dbraw/zinc/09/88/65/209098865.db2.gz DBRKIMDTXISINR-UHFFFAOYSA-N 2 2 362.481 2.378 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1cccs1 ZINC000022076399 263385548 /nfs/dbraw/zinc/38/55/48/263385548.db2.gz WACBTRNTGQDLSB-AWEZNQCLSA-N 2 2 350.484 2.396 40 0 FEABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 549686348 /nfs/dbraw/zinc/68/63/48/549686348.db2.gz QTZYLCCDQKUGIJ-HXUWFJFHSA-N 2 2 373.541 2.455 40 0 biogenic,in-vitro FEABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 549686352 /nfs/dbraw/zinc/68/63/52/549686352.db2.gz QTZYLCCDQKUGIJ-HXUWFJFHSA-N 2 2 373.541 2.455 40 0 biogenic,in-vitro FEABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 549686356 /nfs/dbraw/zinc/68/63/56/549686356.db2.gz QTZYLCCDQKUGIJ-HXUWFJFHSA-N 2 2 373.541 2.455 40 0 biogenic,in-vitro FEABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 549686358 /nfs/dbraw/zinc/68/63/58/549686358.db2.gz QTZYLCCDQKUGIJ-HXUWFJFHSA-N 2 2 373.541 2.455 40 0 biogenic,in-vitro FEABLP Cc1ccc(C[C@@H]2CCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)c[nH+]1 ZINC000257220045 549719098 /nfs/dbraw/zinc/71/90/98/549719098.db2.gz DJHCQEKPPJACTC-KRWDZBQOSA-N 2 2 351.516 2.069 40 0 FEABLP Cc1ccc(C[C@@H]2CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)c[nH+]1 ZINC000257220045 549719102 /nfs/dbraw/zinc/71/91/02/549719102.db2.gz DJHCQEKPPJACTC-KRWDZBQOSA-N 2 2 351.516 2.069 40 0 FEABLP Cn1ccnc1C[N@@H+]1CCC[C@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000306134323 553749675 /nfs/dbraw/zinc/74/96/75/553749675.db2.gz NJAGUJZWYQEFOL-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[N@H+]1CCC[C@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000306134323 553749676 /nfs/dbraw/zinc/74/96/76/553749676.db2.gz NJAGUJZWYQEFOL-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@]2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000306134323 553749677 /nfs/dbraw/zinc/74/96/77/553749677.db2.gz NJAGUJZWYQEFOL-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@]2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000306134323 553749678 /nfs/dbraw/zinc/74/96/78/553749678.db2.gz NJAGUJZWYQEFOL-QUCCMNQESA-N 2 2 355.486 2.071 40 0 FEABLP CC(C)CC[N@@H+]1CCC[C@@]2(CC(C(=O)NCCCn3cc[nH+]c3)=NO2)C1 ZINC000585101337 571222219 /nfs/dbraw/zinc/22/22/19/571222219.db2.gz YVKDNIQOOQVDBP-LJQANCHMSA-N 2 2 361.490 2.046 40 0 FEABLP CC(C)CC[N@H+]1CCC[C@@]2(CC(C(=O)NCCCn3cc[nH+]c3)=NO2)C1 ZINC000585101337 571222220 /nfs/dbraw/zinc/22/22/20/571222220.db2.gz YVKDNIQOOQVDBP-LJQANCHMSA-N 2 2 361.490 2.046 40 0 FEABLP Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)s1 ZINC000096059600 209105253 /nfs/dbraw/zinc/10/52/53/209105253.db2.gz NXGXPACQMWWSQQ-UHFFFAOYSA-N 2 2 355.467 2.264 40 0 FEABLP Cc1ccc(C[N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)s1 ZINC000096059600 209105257 /nfs/dbraw/zinc/10/52/57/209105257.db2.gz NXGXPACQMWWSQQ-UHFFFAOYSA-N 2 2 355.467 2.264 40 0 FEABLP C[N@H+](CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)Cc1cccnc1 ZINC000257242666 536306148 /nfs/dbraw/zinc/30/61/48/536306148.db2.gz IDOSPNAPOWODTH-SFHVURJKSA-N 2 2 353.470 2.084 40 0 FEABLP C[N@@H+](CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)Cc1cccnc1 ZINC000257242666 536306150 /nfs/dbraw/zinc/30/61/50/536306150.db2.gz IDOSPNAPOWODTH-SFHVURJKSA-N 2 2 353.470 2.084 40 0 FEABLP Cc1[nH]c2ccc(CCC(=O)N3CCC[C@](O)(C[NH+](C)C)CC3)cc2[nH+]1 ZINC000257319440 549727995 /nfs/dbraw/zinc/72/79/95/549727995.db2.gz VSODJXQTDPGDPD-HXUWFJFHSA-N 2 2 358.486 2.109 40 0 FEABLP Cc1[nH]c2cc(CCC(=O)N3CCC[C@](O)(C[NH+](C)C)CC3)ccc2[nH+]1 ZINC000257319440 549727998 /nfs/dbraw/zinc/72/79/98/549727998.db2.gz VSODJXQTDPGDPD-HXUWFJFHSA-N 2 2 358.486 2.109 40 0 FEABLP CC[C@@H](C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccncc2)[nH+]1 ZINC000328974808 553856880 /nfs/dbraw/zinc/85/68/80/553856880.db2.gz FGRRYZJGELEWMO-OAHLLOKOSA-N 2 2 354.502 2.394 40 0 FEABLP COc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCC[NH+](C)C)n1)C2 ZINC000329059477 571133845 /nfs/dbraw/zinc/13/38/45/571133845.db2.gz WGOZDIHBQVQWCB-UHFFFAOYSA-N 2 2 367.497 2.899 40 0 FEABLP C[C@H]1CCCN(c2ncc(C[NH+]3CCC(N(C)CC[NH+](C)C)CC3)cn2)C1 ZINC000019496652 539658771 /nfs/dbraw/zinc/65/87/71/539658771.db2.gz WHYSKFVBMQXQFZ-SFHVURJKSA-N 2 2 374.577 2.171 40 0 FEABLP Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2c[nH+]c(C)n2C)n1 ZINC000019573789 539662251 /nfs/dbraw/zinc/66/22/51/539662251.db2.gz DVGZTSUMOLFHEF-GOSISDBHSA-N 2 2 357.458 2.198 40 0 FEABLP Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2c[nH+]c(C)n2C)n1 ZINC000019573789 539662252 /nfs/dbraw/zinc/66/22/52/539662252.db2.gz DVGZTSUMOLFHEF-GOSISDBHSA-N 2 2 357.458 2.198 40 0 FEABLP COCCOc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019593805 539662729 /nfs/dbraw/zinc/66/27/29/539662729.db2.gz HUCXPBSFYDONOQ-FQEVSTJZSA-N 2 2 368.481 2.485 40 0 FEABLP COCCOc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019593805 539662733 /nfs/dbraw/zinc/66/27/33/539662733.db2.gz HUCXPBSFYDONOQ-FQEVSTJZSA-N 2 2 368.481 2.485 40 0 FEABLP CCc1ncc(C[NH+]2CCN(c3cc(C)[nH+]c([C@@H]4CCC[NH2+]4)c3)CC2)cn1 ZINC000019697954 539665591 /nfs/dbraw/zinc/66/55/91/539665591.db2.gz WXSSHYFLVCPZPJ-IBGZPJMESA-N 3 2 366.513 2.489 40 0 FEABLP Cn1ccnc1C[N@@H+]1CCC[C@@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223485 209138775 /nfs/dbraw/zinc/13/87/75/209138775.db2.gz NJAGUJZWYQEFOL-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[N@H+]1CCC[C@@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223485 209138777 /nfs/dbraw/zinc/13/87/77/209138777.db2.gz NJAGUJZWYQEFOL-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@@]2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223485 209138778 /nfs/dbraw/zinc/13/87/78/209138778.db2.gz NJAGUJZWYQEFOL-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223485 209138779 /nfs/dbraw/zinc/13/87/79/209138779.db2.gz NJAGUJZWYQEFOL-AZUAARDMSA-N 2 2 355.486 2.071 40 0 FEABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000096052359 209102460 /nfs/dbraw/zinc/10/24/60/209102460.db2.gz XTNFVQYXNLFNER-MJGOQNOKSA-N 2 2 366.527 2.139 40 0 FEABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000096052359 209102464 /nfs/dbraw/zinc/10/24/64/209102464.db2.gz XTNFVQYXNLFNER-MJGOQNOKSA-N 2 2 366.527 2.139 40 0 FEABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257274761 549722727 /nfs/dbraw/zinc/72/27/27/549722727.db2.gz NMMVYHANXAUBII-INIZCTEOSA-N 2 2 351.458 2.392 40 0 FEABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257274761 549722730 /nfs/dbraw/zinc/72/27/30/549722730.db2.gz NMMVYHANXAUBII-INIZCTEOSA-N 2 2 351.458 2.392 40 0 FEABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O ZINC000257210027 529934645 /nfs/dbraw/zinc/93/46/45/529934645.db2.gz BSUXUPJMIAJNEP-ZRNYENFQSA-N 2 2 362.420 2.347 40 0 FEABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O ZINC000257210027 529934646 /nfs/dbraw/zinc/93/46/46/529934646.db2.gz BSUXUPJMIAJNEP-ZRNYENFQSA-N 2 2 362.420 2.347 40 0 FEABLP CC[C@@H](C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)[nH+]1 ZINC000329060202 210134527 /nfs/dbraw/zinc/13/45/27/210134527.db2.gz WKCKPYKQMKZDIO-OAHLLOKOSA-N 2 2 354.502 2.394 40 0 FEABLP CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329039753 210133619 /nfs/dbraw/zinc/13/36/19/210133619.db2.gz RZRPZVPPGCOKLK-UHFFFAOYSA-N 2 2 369.391 2.291 40 0 FEABLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1c1cc(C[NH+](C)C)n(C)n1 ZINC000019710081 539666390 /nfs/dbraw/zinc/66/63/90/539666390.db2.gz QPOVFUYZPCJDRK-KRWDZBQOSA-N 2 2 358.490 2.165 40 0 FEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257216812 223022950 /nfs/dbraw/zinc/02/29/50/223022950.db2.gz CWEDRBINMQLUNM-IBGZPJMESA-N 2 2 356.470 2.246 40 0 FEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257216812 223022953 /nfs/dbraw/zinc/02/29/53/223022953.db2.gz CWEDRBINMQLUNM-IBGZPJMESA-N 2 2 356.470 2.246 40 0 FEABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O ZINC000257207620 529934666 /nfs/dbraw/zinc/93/46/66/529934666.db2.gz BIMXWJMXNAAHFG-LMCOJAPRSA-N 2 2 362.420 2.347 40 0 FEABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O ZINC000257207620 529934667 /nfs/dbraw/zinc/93/46/67/529934667.db2.gz BIMXWJMXNAAHFG-LMCOJAPRSA-N 2 2 362.420 2.347 40 0 FEABLP Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cnn1C ZINC000036752067 539994330 /nfs/dbraw/zinc/99/43/30/539994330.db2.gz BHYUMCIYLQAAHW-HNNXBMFYSA-N 2 2 366.469 2.498 40 0 FEABLP Cc1c(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cnn1C ZINC000036752067 539994332 /nfs/dbraw/zinc/99/43/32/539994332.db2.gz BHYUMCIYLQAAHW-HNNXBMFYSA-N 2 2 366.469 2.498 40 0 FEABLP COc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC000096059579 222006939 /nfs/dbraw/zinc/00/69/39/222006939.db2.gz RVOAKXPQYSVSNB-UHFFFAOYSA-N 2 2 368.481 2.254 40 0 FEABLP COc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC000096059579 222006942 /nfs/dbraw/zinc/00/69/42/222006942.db2.gz RVOAKXPQYSVSNB-UHFFFAOYSA-N 2 2 368.481 2.254 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738975 222399847 /nfs/dbraw/zinc/39/98/47/222399847.db2.gz MJUFYZKUQWDMKV-AZUAARDMSA-N 2 2 357.454 2.199 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738975 222399849 /nfs/dbraw/zinc/39/98/49/222399849.db2.gz MJUFYZKUQWDMKV-AZUAARDMSA-N 2 2 357.454 2.199 40 0 FEABLP [NH3+][C@@H]1CC[C@@H](Oc2ccc(F)cc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257253578 223038755 /nfs/dbraw/zinc/03/87/55/223038755.db2.gz JZLCYAAZIPSUJM-CGXNFDGLSA-N 2 2 356.441 2.482 40 0 FEABLP [NH3+][C@@H]1CC[C@@H](Oc2ccc(F)cc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257253578 223038756 /nfs/dbraw/zinc/03/87/56/223038756.db2.gz JZLCYAAZIPSUJM-CGXNFDGLSA-N 2 2 356.441 2.482 40 0 FEABLP COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)C[NH+]1CCCC1 ZINC000257310044 223060922 /nfs/dbraw/zinc/06/09/22/223060922.db2.gz UDLPPFOIJJFBLP-KRWDZBQOSA-N 2 2 354.454 2.379 40 0 FEABLP COCC[NH+]1CCC(c2nc(N(C)C)ncc2-c2ccc(N)[nH+]c2)CC1 ZINC000019695122 211246677 /nfs/dbraw/zinc/24/66/77/211246677.db2.gz YDGBCONLMIYCHC-UHFFFAOYSA-N 2 2 356.474 2.013 40 0 FEABLP c1cc2c(cc1C[N@@H+]1CCc3nc([C@@H]4CCC[NH2+]4)ncc3C1)OCCO2 ZINC000019345797 211216566 /nfs/dbraw/zinc/21/65/66/211216566.db2.gz JVEBQPLPEUYRLB-KRWDZBQOSA-N 2 2 352.438 2.231 40 0 FEABLP c1cc2c(cc1C[N@H+]1CCc3nc([C@@H]4CCC[NH2+]4)ncc3C1)OCCO2 ZINC000019345797 211216569 /nfs/dbraw/zinc/21/65/69/211216569.db2.gz JVEBQPLPEUYRLB-KRWDZBQOSA-N 2 2 352.438 2.231 40 0 FEABLP Cc1[nH+]c[nH]c1CN1CC[C@@]2(CCC[N@@H+]2CCc2ccccc2)[C@@H](O)C1 ZINC000257231016 534718270 /nfs/dbraw/zinc/71/82/70/534718270.db2.gz GEVHBFZUNNNKQJ-SFTDATJTSA-N 2 2 354.498 2.362 40 0 FEABLP Cc1[nH+]c[nH]c1CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)[C@@H](O)C1 ZINC000257231016 534718274 /nfs/dbraw/zinc/71/82/74/534718274.db2.gz GEVHBFZUNNNKQJ-SFTDATJTSA-N 2 2 354.498 2.362 40 0 FEABLP C[N@H+](CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)Cc1ccccn1 ZINC000257245531 536306028 /nfs/dbraw/zinc/30/60/28/536306028.db2.gz IPYBMVSRNWRNBQ-GOSISDBHSA-N 2 2 353.470 2.084 40 0 FEABLP C[N@@H+](CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)Cc1ccccn1 ZINC000257245531 536306030 /nfs/dbraw/zinc/30/60/30/536306030.db2.gz IPYBMVSRNWRNBQ-GOSISDBHSA-N 2 2 353.470 2.084 40 0 FEABLP Cc1ncc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)n1C ZINC000072327150 541799451 /nfs/dbraw/zinc/79/94/51/541799451.db2.gz JDGOQELJWMEBCP-UHFFFAOYSA-N 2 2 350.470 2.209 40 0 FEABLP Cc1c2ccccc2[nH]c1-c1c[nH+]cn1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019719639 211252098 /nfs/dbraw/zinc/25/20/98/211252098.db2.gz UUQBJSSAAFERBD-AWEZNQCLSA-N 2 2 358.467 2.117 40 0 FEABLP CN(C)c1cc(N2CC3(C2)CC[C@@H](C[N@H+](C)Cc2ccco2)CO3)nc[nH+]1 ZINC000248134060 549409339 /nfs/dbraw/zinc/40/93/39/549409339.db2.gz RCKDNTYZQKQPQY-INIZCTEOSA-N 2 2 371.485 2.253 40 0 FEABLP CN(C)c1cc(N2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2ccco2)CO3)nc[nH+]1 ZINC000248134060 549409342 /nfs/dbraw/zinc/40/93/42/549409342.db2.gz RCKDNTYZQKQPQY-INIZCTEOSA-N 2 2 371.485 2.253 40 0 FEABLP CN(C)c1cc(N2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2ccco2)CO3)[nH+]cn1 ZINC000248134060 549409351 /nfs/dbraw/zinc/40/93/51/549409351.db2.gz RCKDNTYZQKQPQY-INIZCTEOSA-N 2 2 371.485 2.253 40 0 FEABLP CC(C)CC[N@@H+]1CCC[C@]2(CC(C(=O)NCCCn3cc[nH+]c3)=NO2)C1 ZINC000585101336 571222230 /nfs/dbraw/zinc/22/22/30/571222230.db2.gz YVKDNIQOOQVDBP-IBGZPJMESA-N 2 2 361.490 2.046 40 0 FEABLP CC(C)CC[N@H+]1CCC[C@]2(CC(C(=O)NCCCn3cc[nH+]c3)=NO2)C1 ZINC000585101336 571222231 /nfs/dbraw/zinc/22/22/31/571222231.db2.gz YVKDNIQOOQVDBP-IBGZPJMESA-N 2 2 361.490 2.046 40 0 FEABLP COc1ccc(-c2cc(CC3([NH2+]C4CC[NH+](C)CC4)COC3)no2)cc1 ZINC000067898356 211279827 /nfs/dbraw/zinc/27/98/27/211279827.db2.gz HFQGPJSTQUKEBT-UHFFFAOYSA-N 2 2 357.454 2.346 40 0 biogenic,in-vitro FEABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000019288230 211211738 /nfs/dbraw/zinc/21/17/38/211211738.db2.gz ORVDWOPGZQRQIT-UHFFFAOYSA-N 2 2 370.497 2.423 40 0 FEABLP Cn1cc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2[NH3+])c2ccncc21 ZINC000019290467 211211415 /nfs/dbraw/zinc/21/14/15/211211415.db2.gz RKCGAKNDIUYWJX-ZWKOTPCHSA-N 2 2 364.449 2.271 40 0 FEABLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2[NH3+])c2ccncc21 ZINC000019290467 211211419 /nfs/dbraw/zinc/21/14/19/211211419.db2.gz RKCGAKNDIUYWJX-ZWKOTPCHSA-N 2 2 364.449 2.271 40 0 FEABLP CC1CC[NH+](CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000068511062 221315714 /nfs/dbraw/zinc/31/57/14/221315714.db2.gz UCPKTHVAALMOOC-UHFFFAOYSA-N 2 2 359.514 2.371 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127970253 544024319 /nfs/dbraw/zinc/02/43/19/544024319.db2.gz OGQJLVLTOAQTRO-CRAIPNDOSA-N 2 2 353.470 2.493 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127970253 544024322 /nfs/dbraw/zinc/02/43/22/544024322.db2.gz OGQJLVLTOAQTRO-CRAIPNDOSA-N 2 2 353.470 2.493 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(F)cc1 ZINC000022075268 263385441 /nfs/dbraw/zinc/38/54/41/263385441.db2.gz MHVMTYRCUUEZCJ-OAHLLOKOSA-N 2 2 362.445 2.473 40 0 FEABLP COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC3)cc1 ZINC000585111264 571226704 /nfs/dbraw/zinc/22/67/04/571226704.db2.gz LUILBDXFCAPFND-GOSISDBHSA-N 2 2 368.481 2.428 40 0 FEABLP COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC3)cc1 ZINC000585111264 571226705 /nfs/dbraw/zinc/22/67/05/571226705.db2.gz LUILBDXFCAPFND-GOSISDBHSA-N 2 2 368.481 2.428 40 0 FEABLP COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1F ZINC000328959819 210126596 /nfs/dbraw/zinc/12/65/96/210126596.db2.gz AUZJCFKHPQCGQQ-UHFFFAOYSA-N 2 2 359.449 2.453 40 0 FEABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCCC2)cc1 ZINC000067870743 291049642 /nfs/dbraw/zinc/04/96/42/291049642.db2.gz NZMBDUUBCDRYKW-IRFCIJBXSA-N 2 2 370.541 2.289 40 0 biogenic,in-vitro FEABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCCC2)cc1 ZINC000067870743 291049645 /nfs/dbraw/zinc/04/96/45/291049645.db2.gz NZMBDUUBCDRYKW-IRFCIJBXSA-N 2 2 370.541 2.289 40 0 biogenic,in-vitro FEABLP Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)n1 ZINC000019715564 211248778 /nfs/dbraw/zinc/24/87/78/211248778.db2.gz KCLSILUWRMHGCY-ZDUSSCGKSA-N 2 2 370.432 2.329 40 0 FEABLP Cn1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)n1 ZINC000019715564 211248780 /nfs/dbraw/zinc/24/87/80/211248780.db2.gz KCLSILUWRMHGCY-ZDUSSCGKSA-N 2 2 370.432 2.329 40 0 FEABLP Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658846 211243319 /nfs/dbraw/zinc/24/33/19/211243319.db2.gz VJPLICJDELUUEJ-OAHLLOKOSA-N 2 2 366.469 2.498 40 0 FEABLP Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658846 211243323 /nfs/dbraw/zinc/24/33/23/211243323.db2.gz VJPLICJDELUUEJ-OAHLLOKOSA-N 2 2 366.469 2.498 40 0 FEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527239 211228793 /nfs/dbraw/zinc/22/87/93/211228793.db2.gz GFMVUCUSHZBMLJ-QGZVFWFLSA-N 2 2 367.497 2.377 40 0 FEABLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527239 211228797 /nfs/dbraw/zinc/22/87/97/211228797.db2.gz GFMVUCUSHZBMLJ-QGZVFWFLSA-N 2 2 367.497 2.377 40 0 FEABLP Cc1ncc(-c2cncc(C3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)n1C ZINC000257295399 534721911 /nfs/dbraw/zinc/72/19/11/534721911.db2.gz QYDRRRYMDYYVGO-UHFFFAOYSA-N 2 2 354.502 2.459 40 0 FEABLP Cc1[nH+]cc(-c2cncc(C3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)n1C ZINC000257295399 534721914 /nfs/dbraw/zinc/72/19/14/534721914.db2.gz QYDRRRYMDYYVGO-UHFFFAOYSA-N 3 2 354.502 2.459 40 0 FEABLP C[NH+](C)CCCNc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000328967922 210127472 /nfs/dbraw/zinc/12/74/72/210127472.db2.gz CWJDHKAKGUSGPL-UHFFFAOYSA-N 2 2 368.510 2.420 40 0 FEABLP CC[NH+]1CCN(c2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012183226 539548861 /nfs/dbraw/zinc/54/88/61/539548861.db2.gz HFSMWBKOIWCNDK-UHFFFAOYSA-N 2 2 351.498 2.485 40 0 FEABLP CC[NH+]1CCN(c2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012183226 539548864 /nfs/dbraw/zinc/54/88/64/539548864.db2.gz HFSMWBKOIWCNDK-UHFFFAOYSA-N 2 2 351.498 2.485 40 0 FEABLP CCc1ncc(C[NH+]2CCN(c3cc(C)[nH+]c([C@H]4CCC[NH2+]4)c3)CC2)cn1 ZINC000019697955 539665645 /nfs/dbraw/zinc/66/56/45/539665645.db2.gz WXSSHYFLVCPZPJ-LJQANCHMSA-N 3 2 366.513 2.489 40 0 FEABLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cc[nH+]c(N(C)C)n2)c1 ZINC000096248873 132224189 /nfs/dbraw/zinc/22/41/89/132224189.db2.gz HIFTUFZMBOSJAA-MOPGFXCFSA-N 2 2 367.497 2.249 40 0 FEABLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cc[nH+]c(N(C)C)n2)c1 ZINC000096248873 132224190 /nfs/dbraw/zinc/22/41/90/132224190.db2.gz HIFTUFZMBOSJAA-MOPGFXCFSA-N 2 2 367.497 2.249 40 0 FEABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000096052360 222003175 /nfs/dbraw/zinc/00/31/75/222003175.db2.gz XTNFVQYXNLFNER-IEBWSBKVSA-N 2 2 366.527 2.139 40 0 FEABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000096052360 222003178 /nfs/dbraw/zinc/00/31/78/222003178.db2.gz XTNFVQYXNLFNER-IEBWSBKVSA-N 2 2 366.527 2.139 40 0 FEABLP C[N@H+](CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)Cc1cccnc1 ZINC000257242665 536305859 /nfs/dbraw/zinc/30/58/59/536305859.db2.gz IDOSPNAPOWODTH-GOSISDBHSA-N 2 2 353.470 2.084 40 0 FEABLP C[N@@H+](CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)Cc1cccnc1 ZINC000257242665 536305861 /nfs/dbraw/zinc/30/58/61/536305861.db2.gz IDOSPNAPOWODTH-GOSISDBHSA-N 2 2 353.470 2.084 40 0 FEABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000248128711 549409167 /nfs/dbraw/zinc/40/91/67/549409167.db2.gz XTNFVQYXNLFNER-HKUYNNGSSA-N 2 2 366.527 2.139 40 0 FEABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000248128711 549409171 /nfs/dbraw/zinc/40/91/71/549409171.db2.gz XTNFVQYXNLFNER-HKUYNNGSSA-N 2 2 366.527 2.139 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944340 539894587 /nfs/dbraw/zinc/89/45/87/539894587.db2.gz NSPJBTQZJSTGNM-QGZVFWFLSA-N 2 2 365.905 2.000 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944340 539894590 /nfs/dbraw/zinc/89/45/90/539894590.db2.gz NSPJBTQZJSTGNM-QGZVFWFLSA-N 2 2 365.905 2.000 40 0 FEABLP O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019658530 220282814 /nfs/dbraw/zinc/28/28/14/220282814.db2.gz SPTWTEBSOQDIEU-INIZCTEOSA-N 2 2 350.426 2.172 40 0 FEABLP O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019658530 220282818 /nfs/dbraw/zinc/28/28/18/220282818.db2.gz SPTWTEBSOQDIEU-INIZCTEOSA-N 2 2 350.426 2.172 40 0 FEABLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257312013 534680778 /nfs/dbraw/zinc/68/07/78/534680778.db2.gz UMAMMJMKAVWMJN-YVWKXTFCSA-N 2 2 367.453 2.202 40 0 FEABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1cnn(C)c1)CC21CC[NH+](C)CC1 ZINC000306144951 223115346 /nfs/dbraw/zinc/11/53/46/223115346.db2.gz ZTAVCXYIBVCVIA-UHFFFAOYSA-N 2 2 356.518 2.485 40 0 FEABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cnn(C)c1)CC21CC[NH+](C)CC1 ZINC000306144951 223115347 /nfs/dbraw/zinc/11/53/47/223115347.db2.gz ZTAVCXYIBVCVIA-UHFFFAOYSA-N 2 2 356.518 2.485 40 0 FEABLP C[NH+](C)CCCNc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000329022609 223129684 /nfs/dbraw/zinc/12/96/84/223129684.db2.gz ONKOMQWJDWSQHD-UHFFFAOYSA-N 2 2 368.510 2.420 40 0 FEABLP CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096055927 222005601 /nfs/dbraw/zinc/00/56/01/222005601.db2.gz WLJXXHMJRRUVPR-ICSRJNTNSA-N 2 2 362.518 2.153 40 0 FEABLP CCOC(=O)[C@@]12C[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096055927 222005603 /nfs/dbraw/zinc/00/56/03/222005603.db2.gz WLJXXHMJRRUVPR-ICSRJNTNSA-N 2 2 362.518 2.153 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096055927 222005606 /nfs/dbraw/zinc/00/56/06/222005606.db2.gz WLJXXHMJRRUVPR-ICSRJNTNSA-N 2 2 362.518 2.153 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096055927 222005607 /nfs/dbraw/zinc/00/56/07/222005607.db2.gz WLJXXHMJRRUVPR-ICSRJNTNSA-N 2 2 362.518 2.153 40 0 FEABLP c1nc2n(c1-c1cccnc1)CC[NH2+]C21CC[NH+](Cc2cccnc2)CC1 ZINC000096263369 222104591 /nfs/dbraw/zinc/10/45/91/222104591.db2.gz OGURNLJWRPDZMQ-UHFFFAOYSA-N 2 2 360.465 2.435 40 0 FEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)nc[nH+]1 ZINC000096206926 222077279 /nfs/dbraw/zinc/07/72/79/222077279.db2.gz YDDUGWHRXXNCCE-HNAYVOBHSA-N 2 2 357.458 2.371 40 0 FEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)nc[nH+]1 ZINC000096206926 222077282 /nfs/dbraw/zinc/07/72/82/222077282.db2.gz YDDUGWHRXXNCCE-HNAYVOBHSA-N 2 2 357.458 2.371 40 0 FEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)[nH+]cn1 ZINC000096206926 222077284 /nfs/dbraw/zinc/07/72/84/222077284.db2.gz YDDUGWHRXXNCCE-HNAYVOBHSA-N 2 2 357.458 2.371 40 0 FEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)[nH+]cn1 ZINC000096206926 222077287 /nfs/dbraw/zinc/07/72/87/222077287.db2.gz YDDUGWHRXXNCCE-HNAYVOBHSA-N 2 2 357.458 2.371 40 0 FEABLP Cc1c(C[N@@H+]2CC[C@@]3(CCC[NH+]3Cc3ccccc3)[C@@H](O)C2)cnn1C ZINC000257310712 533845794 /nfs/dbraw/zinc/84/57/94/533845794.db2.gz UGFDYSMXHAVQJZ-SFTDATJTSA-N 2 2 354.498 2.330 40 0 FEABLP Cc1c(C[N@H+]2CC[C@@]3(CCC[NH+]3Cc3ccccc3)[C@@H](O)C2)cnn1C ZINC000257310712 533845805 /nfs/dbraw/zinc/84/58/05/533845805.db2.gz UGFDYSMXHAVQJZ-SFTDATJTSA-N 2 2 354.498 2.330 40 0 FEABLP Cc1c(C[NH+]2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)cnn1C ZINC000257310712 533845809 /nfs/dbraw/zinc/84/58/09/533845809.db2.gz UGFDYSMXHAVQJZ-SFTDATJTSA-N 2 2 354.498 2.330 40 0 FEABLP Cc1c(C[NH+]2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)cnn1C ZINC000257310712 533845812 /nfs/dbraw/zinc/84/58/12/533845812.db2.gz UGFDYSMXHAVQJZ-SFTDATJTSA-N 2 2 354.498 2.330 40 0 FEABLP CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)ccc2c1N ZINC000257294560 529954778 /nfs/dbraw/zinc/95/47/78/529954778.db2.gz QURUKGAQRKBZRK-OAHLLOKOSA-N 2 2 373.526 2.469 40 0 FEABLP CNC(=O)c1sc2nc([C@H]3CCC[N@H+]3C3CC[NH+](C)CC3)ccc2c1N ZINC000257294560 529954781 /nfs/dbraw/zinc/95/47/81/529954781.db2.gz QURUKGAQRKBZRK-OAHLLOKOSA-N 2 2 373.526 2.469 40 0 FEABLP COc1cc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000329069759 532963625 /nfs/dbraw/zinc/96/36/25/532963625.db2.gz ZAPQWOATUFJJKZ-UHFFFAOYSA-N 2 2 371.485 2.322 40 0 FEABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096108124 222026304 /nfs/dbraw/zinc/02/63/04/222026304.db2.gz RTWLLPCHTOJXKY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096108124 222026307 /nfs/dbraw/zinc/02/63/07/222026307.db2.gz RTWLLPCHTOJXKY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096108124 222026309 /nfs/dbraw/zinc/02/63/09/222026309.db2.gz RTWLLPCHTOJXKY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096108124 222026312 /nfs/dbraw/zinc/02/63/12/222026312.db2.gz RTWLLPCHTOJXKY-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP c1ccc(NC[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240460 222095331 /nfs/dbraw/zinc/09/53/31/222095331.db2.gz VDOJMUFLTYEVPG-UYAOXDASSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(NC[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240460 222095335 /nfs/dbraw/zinc/09/53/35/222095335.db2.gz VDOJMUFLTYEVPG-UYAOXDASSA-N 2 2 354.454 2.196 40 0 FEABLP COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC2CC2)cc1 ZINC000096230281 222091213 /nfs/dbraw/zinc/09/12/13/222091213.db2.gz XRQSOOOSFONBME-UHFFFAOYSA-N 2 2 357.498 2.214 40 0 FEABLP COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CC[N@@H+]3CC2CC2)cc1 ZINC000096230281 222091215 /nfs/dbraw/zinc/09/12/15/222091215.db2.gz XRQSOOOSFONBME-UHFFFAOYSA-N 2 2 357.498 2.214 40 0 FEABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000248128713 549409716 /nfs/dbraw/zinc/40/97/16/549409716.db2.gz XTNFVQYXNLFNER-PKOBYXMFSA-N 2 2 366.527 2.139 40 0 FEABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000248128713 549409718 /nfs/dbraw/zinc/40/97/18/549409718.db2.gz XTNFVQYXNLFNER-PKOBYXMFSA-N 2 2 366.527 2.139 40 0 FEABLP c1ccc(NC[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240458 222095298 /nfs/dbraw/zinc/09/52/98/222095298.db2.gz VDOJMUFLTYEVPG-QUCCMNQESA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(NC[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240458 222095302 /nfs/dbraw/zinc/09/53/02/222095302.db2.gz VDOJMUFLTYEVPG-QUCCMNQESA-N 2 2 354.454 2.196 40 0 FEABLP CC(C)n1cnc2c1[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[N@H+](CC1CC1)CC2 ZINC000096147237 222049225 /nfs/dbraw/zinc/04/92/25/222049225.db2.gz VKWGGYVWDSRUJA-FQEVSTJZSA-N 2 2 373.545 2.326 40 0 FEABLP CC(C)n1cnc2c1[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[N@@H+](CC1CC1)CC2 ZINC000096147237 222049227 /nfs/dbraw/zinc/04/92/27/222049227.db2.gz VKWGGYVWDSRUJA-FQEVSTJZSA-N 2 2 373.545 2.326 40 0 FEABLP C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215806 222082456 /nfs/dbraw/zinc/08/24/56/222082456.db2.gz LVMFMWXPKQZYQA-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215806 222082458 /nfs/dbraw/zinc/08/24/58/222082458.db2.gz LVMFMWXPKQZYQA-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096215806 222082460 /nfs/dbraw/zinc/08/24/60/222082460.db2.gz LVMFMWXPKQZYQA-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096215806 222082463 /nfs/dbraw/zinc/08/24/63/222082463.db2.gz LVMFMWXPKQZYQA-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257322533 549728026 /nfs/dbraw/zinc/72/80/26/549728026.db2.gz WGJKBTNNXSWDCG-FQEVSTJZSA-N 2 2 374.460 2.207 40 0 FEABLP Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257322533 549728029 /nfs/dbraw/zinc/72/80/29/549728029.db2.gz WGJKBTNNXSWDCG-FQEVSTJZSA-N 2 2 374.460 2.207 40 0 FEABLP Cc1nc(N)cc(CC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000019758463 220294555 /nfs/dbraw/zinc/29/45/55/220294555.db2.gz SBEAPRIRFZJOQI-UHFFFAOYSA-N 2 2 357.433 2.400 40 0 FEABLP COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1 ZINC000257325953 533544956 /nfs/dbraw/zinc/54/49/56/533544956.db2.gz WVEFMUVZNUTTLV-ZRNYENFQSA-N 2 2 360.429 2.174 40 0 FEABLP COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1 ZINC000257325953 533544958 /nfs/dbraw/zinc/54/49/58/533544958.db2.gz WVEFMUVZNUTTLV-ZRNYENFQSA-N 2 2 360.429 2.174 40 0 FEABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096060865 222007541 /nfs/dbraw/zinc/00/75/41/222007541.db2.gz WGMPMRAYCFCQNH-HNNXBMFYSA-N 2 2 363.531 2.346 40 0 FEABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096060865 222007545 /nfs/dbraw/zinc/00/75/45/222007545.db2.gz WGMPMRAYCFCQNH-HNNXBMFYSA-N 2 2 363.531 2.346 40 0 FEABLP CC[C@H](C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)[nH+]1 ZINC000329060199 529701934 /nfs/dbraw/zinc/70/19/34/529701934.db2.gz WKCKPYKQMKZDIO-HNNXBMFYSA-N 2 2 354.502 2.394 40 0 FEABLP C[NH+](C)C1(CNC(=O)CSc2nccc3ccccc32)CC[NH+](C)CC1 ZINC000012148307 539546775 /nfs/dbraw/zinc/54/67/75/539546775.db2.gz WKVOQFWOORNUSR-UHFFFAOYSA-N 2 2 372.538 2.469 40 0 FEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019287717 220246207 /nfs/dbraw/zinc/24/62/07/220246207.db2.gz KGEIYZVEPHYQIF-KSSFIOAISA-N 2 2 368.485 2.017 40 0 FEABLP Cc1nc(N)cc(CC2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000019758492 220294959 /nfs/dbraw/zinc/29/49/59/220294959.db2.gz CMFNCTMYGQCBND-UHFFFAOYSA-N 2 2 374.510 2.096 40 0 FEABLP C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC000096220596 222083096 /nfs/dbraw/zinc/08/30/96/222083096.db2.gz CACZKMDHAPHSJJ-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC000096220596 222083097 /nfs/dbraw/zinc/08/30/97/222083097.db2.gz CACZKMDHAPHSJJ-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096220596 222083100 /nfs/dbraw/zinc/08/31/00/222083100.db2.gz CACZKMDHAPHSJJ-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096220596 222083103 /nfs/dbraw/zinc/08/31/03/222083103.db2.gz CACZKMDHAPHSJJ-PZJWPPBQSA-N 2 2 352.482 2.447 40 0 FEABLP Cn1ccnc1C[N@@H+]1CCC[C@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223482 222085893 /nfs/dbraw/zinc/08/58/93/222085893.db2.gz NJAGUJZWYQEFOL-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[N@H+]1CCC[C@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096223482 222085895 /nfs/dbraw/zinc/08/58/95/222085895.db2.gz NJAGUJZWYQEFOL-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@]2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223482 222085897 /nfs/dbraw/zinc/08/58/97/222085897.db2.gz NJAGUJZWYQEFOL-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1ccnc1C[NH+]1CCC[C@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223482 222085898 /nfs/dbraw/zinc/08/58/98/222085898.db2.gz NJAGUJZWYQEFOL-ICSRJNTNSA-N 2 2 355.486 2.071 40 0 FEABLP c1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000107243546 222392082 /nfs/dbraw/zinc/39/20/82/222392082.db2.gz MYCMLSNFVDBMNQ-FXAWDEMLSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc[nH+]4)CO3)C2)nc1 ZINC000107243546 222392085 /nfs/dbraw/zinc/39/20/85/222392085.db2.gz MYCMLSNFVDBMNQ-FXAWDEMLSA-N 2 2 354.454 2.196 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCCc1ccccc1 ZINC000022107696 263384932 /nfs/dbraw/zinc/38/49/32/263384932.db2.gz SXGSKEQAZPEIGN-QGZVFWFLSA-N 2 2 358.482 2.377 40 0 FEABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)C[NH+](C)C)C3)cn2)n1C ZINC000257270469 534719974 /nfs/dbraw/zinc/71/99/74/534719974.db2.gz MUIITTUKTDJEMA-KRWDZBQOSA-N 2 2 355.486 2.133 40 0 FEABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc[nH+]1 ZINC000257282457 534735704 /nfs/dbraw/zinc/73/57/04/534735704.db2.gz OTVCKCNPXCWJAB-QGZVFWFLSA-N 2 2 355.438 2.269 40 0 FEABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc[nH+]1 ZINC000257282457 534735713 /nfs/dbraw/zinc/73/57/13/534735713.db2.gz OTVCKCNPXCWJAB-QGZVFWFLSA-N 2 2 355.438 2.269 40 0 FEABLP CN(C)c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]cc1Br ZINC000667664912 571156964 /nfs/dbraw/zinc/15/69/64/571156964.db2.gz GHGSHZUKBVUSPJ-ZACCUICWSA-N 2 2 368.279 2.315 40 0 FEABLP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019711028 220288597 /nfs/dbraw/zinc/28/85/97/220288597.db2.gz MBMNVZVPRWYEKX-GOSISDBHSA-N 2 2 366.513 2.361 40 0 FEABLP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019711028 220288600 /nfs/dbraw/zinc/28/86/00/220288600.db2.gz MBMNVZVPRWYEKX-GOSISDBHSA-N 2 2 366.513 2.361 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127970710 544024816 /nfs/dbraw/zinc/02/48/16/544024816.db2.gz OGQJLVLTOAQTRO-MAUKXSAKSA-N 2 2 353.470 2.493 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127970710 544024818 /nfs/dbraw/zinc/02/48/18/544024818.db2.gz OGQJLVLTOAQTRO-MAUKXSAKSA-N 2 2 353.470 2.493 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944330 539894495 /nfs/dbraw/zinc/89/44/95/539894495.db2.gz KRLGCSCAYUSCFJ-KRWDZBQOSA-N 2 2 365.905 2.000 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944330 539894497 /nfs/dbraw/zinc/89/44/97/539894497.db2.gz KRLGCSCAYUSCFJ-KRWDZBQOSA-N 2 2 365.905 2.000 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)nc[nH+]1 ZINC000248084105 132292221 /nfs/dbraw/zinc/29/22/21/132292221.db2.gz DCPPSZOKGHTUPJ-QGZVFWFLSA-N 2 2 359.518 2.117 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)nc[nH+]1 ZINC000248084105 132292222 /nfs/dbraw/zinc/29/22/22/132292222.db2.gz DCPPSZOKGHTUPJ-QGZVFWFLSA-N 2 2 359.518 2.117 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)[nH+]cn1 ZINC000248084105 132292223 /nfs/dbraw/zinc/29/22/23/132292223.db2.gz DCPPSZOKGHTUPJ-QGZVFWFLSA-N 2 2 359.518 2.117 40 0 FEABLP CN(C)c1cc(N2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)[nH+]cn1 ZINC000248084105 132292224 /nfs/dbraw/zinc/29/22/24/132292224.db2.gz DCPPSZOKGHTUPJ-QGZVFWFLSA-N 2 2 359.518 2.117 40 0 FEABLP C[NH+](C)CCCN1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676462 539676452 /nfs/dbraw/zinc/67/64/52/539676452.db2.gz XUMXGWQTTXSQMN-UHFFFAOYSA-N 2 2 367.501 2.211 40 0 FEABLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]3c3nnc4n3CC[NH2+]CC4)ccc2O1 ZINC000019710664 539667328 /nfs/dbraw/zinc/66/73/28/539667328.db2.gz JSMQVCJEJZULJG-QGZVFWFLSA-N 2 2 367.497 2.474 40 0 FEABLP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]3c3nnc4n3CC[NH2+]CC4)ccc2O1 ZINC000019710664 539667331 /nfs/dbraw/zinc/66/73/31/539667331.db2.gz JSMQVCJEJZULJG-QGZVFWFLSA-N 2 2 367.497 2.474 40 0 FEABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccnc3)c4=O)C2)CC1 ZINC000020503265 206337985 /nfs/dbraw/zinc/33/79/85/206337985.db2.gz UIQKUMICTJZIQF-FUHWJXTLSA-N 2 2 364.493 2.424 40 0 biogenic,in-vitro FEABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccnc3)c4=O)C2)CC1 ZINC000020503265 206337991 /nfs/dbraw/zinc/33/79/91/206337991.db2.gz UIQKUMICTJZIQF-FUHWJXTLSA-N 2 2 364.493 2.424 40 0 biogenic,in-vitro FEABLP C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC000096220681 542996259 /nfs/dbraw/zinc/99/62/59/542996259.db2.gz CACZKMDHAPHSJJ-TZIWHRDSSA-N 2 2 352.482 2.447 40 0 FEABLP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC000096220681 542996263 /nfs/dbraw/zinc/99/62/63/542996263.db2.gz CACZKMDHAPHSJJ-TZIWHRDSSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096220681 542996268 /nfs/dbraw/zinc/99/62/68/542996268.db2.gz CACZKMDHAPHSJJ-TZIWHRDSSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096220681 542996271 /nfs/dbraw/zinc/99/62/71/542996271.db2.gz CACZKMDHAPHSJJ-TZIWHRDSSA-N 2 2 352.482 2.447 40 0 FEABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[N@H+](C)Cc2ccco2)CO3)nc[nH+]1 ZINC000248134066 549409076 /nfs/dbraw/zinc/40/90/76/549409076.db2.gz RCKDNTYZQKQPQY-MRXNPFEDSA-N 2 2 371.485 2.253 40 0 FEABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[N@@H+](C)Cc2ccco2)CO3)nc[nH+]1 ZINC000248134066 549409079 /nfs/dbraw/zinc/40/90/79/549409079.db2.gz RCKDNTYZQKQPQY-MRXNPFEDSA-N 2 2 371.485 2.253 40 0 FEABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[N@@H+](C)Cc2ccco2)CO3)[nH+]cn1 ZINC000248134066 549409085 /nfs/dbraw/zinc/40/90/85/549409085.db2.gz RCKDNTYZQKQPQY-MRXNPFEDSA-N 2 2 371.485 2.253 40 0 FEABLP CNC(=O)C[N@@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257231645 549720092 /nfs/dbraw/zinc/72/00/92/549720092.db2.gz GHPSQPHJPLOEDD-MRXNPFEDSA-N 2 2 368.485 2.466 40 0 FEABLP CNC(=O)C[N@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257231645 549720094 /nfs/dbraw/zinc/72/00/94/549720094.db2.gz GHPSQPHJPLOEDD-MRXNPFEDSA-N 2 2 368.485 2.466 40 0 FEABLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257343944 549728920 /nfs/dbraw/zinc/72/89/20/549728920.db2.gz ZVBPDCQHGUTAGB-PMACEKPBSA-N 2 2 368.481 2.317 40 0 FEABLP Cn1cc(-c2c[nH+]c3n2C[C@]2(C3)COCC[N@H+](Cc3cccs3)C2)cn1 ZINC000306133065 553749600 /nfs/dbraw/zinc/74/96/00/553749600.db2.gz MASLNWNOOWAULU-LJQANCHMSA-N 2 2 369.494 2.420 40 0 FEABLP Cn1cc(-c2c[nH+]c3n2C[C@]2(C3)COCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000306133065 553749602 /nfs/dbraw/zinc/74/96/02/553749602.db2.gz MASLNWNOOWAULU-LJQANCHMSA-N 2 2 369.494 2.420 40 0 FEABLP Cc1ccc(C[N@H+]2CCOC[C@]3(Cc4[nH+]cc(-c5cnn(C)c5)n4C3)C2)o1 ZINC000306133004 553749668 /nfs/dbraw/zinc/74/96/68/553749668.db2.gz LYOVVLALNDCESM-HXUWFJFHSA-N 2 2 367.453 2.260 40 0 FEABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(Cc4[nH+]cc(-c5cnn(C)c5)n4C3)C2)o1 ZINC000306133004 553749669 /nfs/dbraw/zinc/74/96/69/553749669.db2.gz LYOVVLALNDCESM-HXUWFJFHSA-N 2 2 367.453 2.260 40 0 FEABLP CCc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2cc(C[NH+](C)C)[nH]n2)CC1 ZINC000019708939 539666668 /nfs/dbraw/zinc/66/66/68/539666668.db2.gz HHHDZPJVXSKWIE-CQSZACIVSA-N 2 2 358.490 2.197 40 0 FEABLP CCc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2cc(C[NH+](C)C)n[nH]2)CC1 ZINC000019708939 539666670 /nfs/dbraw/zinc/66/66/70/539666670.db2.gz HHHDZPJVXSKWIE-CQSZACIVSA-N 2 2 358.490 2.197 40 0 FEABLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]3c3nnc4n3CC[NH2+]CC4)ccc2O1 ZINC000019710665 539667314 /nfs/dbraw/zinc/66/73/14/539667314.db2.gz JSMQVCJEJZULJG-KRWDZBQOSA-N 2 2 367.497 2.474 40 0 FEABLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]3c3nnc4n3CC[NH2+]CC4)ccc2O1 ZINC000019710665 539667317 /nfs/dbraw/zinc/66/73/17/539667317.db2.gz JSMQVCJEJZULJG-KRWDZBQOSA-N 2 2 367.497 2.474 40 0 FEABLP Cn1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000019719793 539668428 /nfs/dbraw/zinc/66/84/28/539668428.db2.gz SKXKXVGEZLQGJJ-CQSZACIVSA-N 2 2 352.442 2.190 40 0 FEABLP Cn1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000019719793 539668431 /nfs/dbraw/zinc/66/84/31/539668431.db2.gz SKXKXVGEZLQGJJ-CQSZACIVSA-N 2 2 352.442 2.190 40 0 FEABLP c1[nH+]cn2c1C[N@H+](CC1CCOCC1)C[C@@H](COCc1ccncc1)C2 ZINC000096208020 542995912 /nfs/dbraw/zinc/99/59/12/542995912.db2.gz CJJYRXNAYHYUDV-LJQANCHMSA-N 2 2 356.470 2.353 40 0 FEABLP c1[nH+]cn2c1C[N@@H+](CC1CCOCC1)C[C@@H](COCc1ccncc1)C2 ZINC000096208020 542995916 /nfs/dbraw/zinc/99/59/16/542995916.db2.gz CJJYRXNAYHYUDV-LJQANCHMSA-N 2 2 356.470 2.353 40 0 FEABLP C(C[NH+]1CCCC1)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254127 542997697 /nfs/dbraw/zinc/99/76/97/542997697.db2.gz ROMMBWUIISHPMU-UHFFFAOYSA-N 2 2 356.518 2.105 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4[nH+]ccn4C)C3)C2)cc1 ZINC000096062358 542990333 /nfs/dbraw/zinc/99/03/33/542990333.db2.gz TWAQGVYWUZDTHJ-OAQYLSRUSA-N 2 2 370.497 2.153 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@@]3(CCN(Cc4[nH+]ccn4C)C3)C2)cc1 ZINC000096062358 542990337 /nfs/dbraw/zinc/99/03/37/542990337.db2.gz TWAQGVYWUZDTHJ-OAQYLSRUSA-N 2 2 370.497 2.153 40 0 FEABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1cccs1 ZINC000022076371 263385372 /nfs/dbraw/zinc/38/53/72/263385372.db2.gz AEMBKQDKIFSVOT-UHFFFAOYSA-N 2 2 350.484 2.397 40 0 FEABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](Cc4ccccc4)CC3)cs2)C1 ZINC000225464823 548735592 /nfs/dbraw/zinc/73/55/92/548735592.db2.gz LMAAJCQITGOIJL-QGZVFWFLSA-N 2 2 373.522 2.193 40 0 biogenic,in-vitro FEABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](Cc4ccccc4)CC3)cs2)C1 ZINC000225464823 548735594 /nfs/dbraw/zinc/73/55/94/548735594.db2.gz LMAAJCQITGOIJL-QGZVFWFLSA-N 2 2 373.522 2.193 40 0 biogenic,in-vitro FEABLP CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)CCn1cc[nH+]c1 ZINC000257208244 549718016 /nfs/dbraw/zinc/71/80/16/549718016.db2.gz BLHWHWVWSGTDJC-LFGUQSLTSA-N 2 2 362.518 2.136 40 0 FEABLP CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C)C(=O)CCn1cc[nH+]c1 ZINC000257208244 549718017 /nfs/dbraw/zinc/71/80/17/549718017.db2.gz BLHWHWVWSGTDJC-LFGUQSLTSA-N 2 2 362.518 2.136 40 0 FEABLP CCCCc1[nH]c(CN2CCO[C@H](c3nccc(C[NH+](C)C)n3)C2)c[nH+]1 ZINC000257213317 549718766 /nfs/dbraw/zinc/71/87/66/549718766.db2.gz CHAYVBLPAWHEPI-KRWDZBQOSA-N 2 2 358.490 2.177 40 0 FEABLP CCCCc1[nH]cc(CN2CCO[C@H](c3nccc(C[NH+](C)C)n3)C2)[nH+]1 ZINC000257213317 549718769 /nfs/dbraw/zinc/71/87/69/549718769.db2.gz CHAYVBLPAWHEPI-KRWDZBQOSA-N 2 2 358.490 2.177 40 0 FEABLP Nc1nc(N)c2c([nH+]1)OC1(C2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000257344854 549728949 /nfs/dbraw/zinc/72/89/49/549728949.db2.gz ZYWWEYSQDGVONS-UHFFFAOYSA-N 2 2 350.426 2.092 40 0 FEABLP Nc1nc2c(c(N)[nH+]1)CC1(CC[NH+](Cc3ccc4[nH]ccc4c3)CC1)O2 ZINC000257344854 549728951 /nfs/dbraw/zinc/72/89/51/549728951.db2.gz ZYWWEYSQDGVONS-UHFFFAOYSA-N 2 2 350.426 2.092 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@]3(CCN(Cc4[nH+]ccn4C)C3)C2)cc1 ZINC000096062359 542990196 /nfs/dbraw/zinc/99/01/96/542990196.db2.gz TWAQGVYWUZDTHJ-NRFANRHFSA-N 2 2 370.497 2.153 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@]3(CCN(Cc4[nH+]ccn4C)C3)C2)cc1 ZINC000096062359 542990199 /nfs/dbraw/zinc/99/01/99/542990199.db2.gz TWAQGVYWUZDTHJ-NRFANRHFSA-N 2 2 370.497 2.153 40 0 FEABLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225580341 548737654 /nfs/dbraw/zinc/73/76/54/548737654.db2.gz GJRCENJSINOCGZ-UHFFFAOYSA-N 2 2 353.869 2.465 40 0 FEABLP COc1ncc(C[N@@H+]2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)cn1 ZINC000257265752 549723181 /nfs/dbraw/zinc/72/31/81/549723181.db2.gz MACLWRVYTOVFSH-UHFFFAOYSA-N 2 2 354.458 2.075 40 0 FEABLP COc1ncc(C[N@H+]2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)cn1 ZINC000257265752 549723185 /nfs/dbraw/zinc/72/31/85/549723185.db2.gz MACLWRVYTOVFSH-UHFFFAOYSA-N 2 2 354.458 2.075 40 0 FEABLP Cc1[nH]c2ccc(CCC(=O)N3CCC[C@@](O)(C[NH+](C)C)CC3)cc2[nH+]1 ZINC000257319439 549727384 /nfs/dbraw/zinc/72/73/84/549727384.db2.gz VSODJXQTDPGDPD-FQEVSTJZSA-N 2 2 358.486 2.109 40 0 FEABLP Cc1[nH]c2cc(CCC(=O)N3CCC[C@@](O)(C[NH+](C)C)CC3)ccc2[nH+]1 ZINC000257319439 549727388 /nfs/dbraw/zinc/72/73/88/549727388.db2.gz VSODJXQTDPGDPD-FQEVSTJZSA-N 2 2 358.486 2.109 40 0 FEABLP CCc1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2cc(C[NH+](C)C)[nH]n2)CC1 ZINC000019708938 539666635 /nfs/dbraw/zinc/66/66/35/539666635.db2.gz HHHDZPJVXSKWIE-AWEZNQCLSA-N 2 2 358.490 2.197 40 0 FEABLP CCc1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2cc(C[NH+](C)C)n[nH]2)CC1 ZINC000019708938 539666640 /nfs/dbraw/zinc/66/66/40/539666640.db2.gz HHHDZPJVXSKWIE-AWEZNQCLSA-N 2 2 358.490 2.197 40 0 FEABLP c1csc(C[N@@H+]2CCOC3(CC[NH+](CC4CCOCC4)CC3)C2)n1 ZINC000096048992 542989198 /nfs/dbraw/zinc/98/91/98/542989198.db2.gz HXMVXOILOCYMSO-UHFFFAOYSA-N 2 2 351.516 2.237 40 0 FEABLP c1csc(C[N@H+]2CCOC3(CC[NH+](CC4CCOCC4)CC3)C2)n1 ZINC000096048992 542989202 /nfs/dbraw/zinc/98/92/02/542989202.db2.gz HXMVXOILOCYMSO-UHFFFAOYSA-N 2 2 351.516 2.237 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1F ZINC000022075280 263385520 /nfs/dbraw/zinc/38/55/20/263385520.db2.gz LVEJKBOZERGZDY-OAHLLOKOSA-N 2 2 362.445 2.473 40 0 FEABLP CCc1ccccc1C[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306127224 553748868 /nfs/dbraw/zinc/74/88/68/553748868.db2.gz FSFKGVWZJDOYEQ-FGZHOGPDSA-N 2 2 374.525 2.331 40 0 FEABLP CCc1ccccc1C[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306127224 553748871 /nfs/dbraw/zinc/74/88/71/553748871.db2.gz FSFKGVWZJDOYEQ-FGZHOGPDSA-N 2 2 374.525 2.331 40 0 FEABLP Cc1c(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cnn1C ZINC000012086110 539543076 /nfs/dbraw/zinc/54/30/76/539543076.db2.gz NTWVGHJEIHBXEM-UHFFFAOYSA-N 2 2 350.470 2.209 40 0 FEABLP COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C[NH+]1CCOCC1 ZINC000019575742 539661919 /nfs/dbraw/zinc/66/19/19/539661919.db2.gz RHCFKHMJWNQCNU-FXAWDEMLSA-N 2 2 359.514 2.196 40 0 FEABLP COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C[NH+]1CCOCC1 ZINC000019575742 539661923 /nfs/dbraw/zinc/66/19/23/539661923.db2.gz RHCFKHMJWNQCNU-FXAWDEMLSA-N 2 2 359.514 2.196 40 0 FEABLP COCCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019593730 539663144 /nfs/dbraw/zinc/66/31/44/539663144.db2.gz YHBFCZGJVZQSIN-HXUWFJFHSA-N 2 2 368.481 2.485 40 0 FEABLP COCCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019593730 539663149 /nfs/dbraw/zinc/66/31/49/539663149.db2.gz YHBFCZGJVZQSIN-HXUWFJFHSA-N 2 2 368.481 2.485 40 0 FEABLP CCn1cc[nH+]c1CN1CCN(c2cc(C)[nH+]c([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019697968 539665129 /nfs/dbraw/zinc/66/51/29/539665129.db2.gz PSHBQALXXSTRGM-SFHVURJKSA-N 3 2 354.502 2.353 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944344 539894466 /nfs/dbraw/zinc/89/44/66/539894466.db2.gz NSPJBTQZJSTGNM-KRWDZBQOSA-N 2 2 365.905 2.000 40 0 FEABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944344 539894468 /nfs/dbraw/zinc/89/44/68/539894468.db2.gz NSPJBTQZJSTGNM-KRWDZBQOSA-N 2 2 365.905 2.000 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127970462 544024415 /nfs/dbraw/zinc/02/44/15/544024415.db2.gz OGQJLVLTOAQTRO-QAPCUYQASA-N 2 2 353.470 2.493 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127970462 544024420 /nfs/dbraw/zinc/02/44/20/544024420.db2.gz OGQJLVLTOAQTRO-QAPCUYQASA-N 2 2 353.470 2.493 40 0 FEABLP CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257309220 549726044 /nfs/dbraw/zinc/72/60/44/549726044.db2.gz TZZRXYVENIIVRJ-ZDUSSCGKSA-N 2 2 373.526 2.277 40 0 FEABLP CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257309220 549726048 /nfs/dbraw/zinc/72/60/48/549726048.db2.gz TZZRXYVENIIVRJ-ZDUSSCGKSA-N 2 2 373.526 2.277 40 0 FEABLP CC[NH+](CC)CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012221235 539550612 /nfs/dbraw/zinc/55/06/12/539550612.db2.gz DMZYVPRTDNBHAZ-UHFFFAOYSA-N 2 2 357.502 2.248 40 0 FEABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072379221 541803064 /nfs/dbraw/zinc/80/30/64/541803064.db2.gz ROKVBQFROGYTBZ-KRWDZBQOSA-N 2 2 353.470 2.378 40 0 FEABLP c1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240459 542997217 /nfs/dbraw/zinc/99/72/17/542997217.db2.gz VDOJMUFLTYEVPG-AZUAARDMSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240459 542997220 /nfs/dbraw/zinc/99/72/20/542997220.db2.gz VDOJMUFLTYEVPG-AZUAARDMSA-N 2 2 354.454 2.196 40 0 FEABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCCc1ccccc1 ZINC000022107701 263385489 /nfs/dbraw/zinc/38/54/89/263385489.db2.gz SXGSKEQAZPEIGN-KRWDZBQOSA-N 2 2 358.482 2.377 40 0 FEABLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CCOCC1 ZINC000257302422 549725739 /nfs/dbraw/zinc/72/57/39/549725739.db2.gz SCXFDDUXGYRNKI-RTBURBONSA-N 2 2 360.502 2.155 40 0 FEABLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CCOCC1 ZINC000257302422 549725745 /nfs/dbraw/zinc/72/57/45/549725745.db2.gz SCXFDDUXGYRNKI-RTBURBONSA-N 2 2 360.502 2.155 40 0 FEABLP C[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 ZINC000096111810 542991738 /nfs/dbraw/zinc/99/17/38/542991738.db2.gz BEZYXVAVKUNSEZ-HKUYNNGSSA-N 2 2 355.482 2.359 40 0 biogenic,in-vitro FEABLP C[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 ZINC000096111810 542991741 /nfs/dbraw/zinc/99/17/41/542991741.db2.gz BEZYXVAVKUNSEZ-HKUYNNGSSA-N 2 2 355.482 2.359 40 0 biogenic,in-vitro FEABLP C[N@H+](Cc1cn2c(n1)C[NH+](CC1CCOCC1)CC2)Cc1cccnc1 ZINC000096059556 542989775 /nfs/dbraw/zinc/98/97/75/542989775.db2.gz MIUSKFDDDCPMNU-UHFFFAOYSA-N 2 2 355.486 2.152 40 0 FEABLP C[N@@H+](Cc1cn2c(n1)C[NH+](CC1CCOCC1)CC2)Cc1cccnc1 ZINC000096059556 542989778 /nfs/dbraw/zinc/98/97/78/542989778.db2.gz MIUSKFDDDCPMNU-UHFFFAOYSA-N 2 2 355.486 2.152 40 0 FEABLP C[NH+](Cc1cn2c(n1)C[N@@H+](CC1CCOCC1)CC2)Cc1cccnc1 ZINC000096059556 542989780 /nfs/dbraw/zinc/98/97/80/542989780.db2.gz MIUSKFDDDCPMNU-UHFFFAOYSA-N 2 2 355.486 2.152 40 0 FEABLP C[NH+](Cc1cn2c(n1)C[N@H+](CC1CCOCC1)CC2)Cc1cccnc1 ZINC000096059556 542989785 /nfs/dbraw/zinc/98/97/85/542989785.db2.gz MIUSKFDDDCPMNU-UHFFFAOYSA-N 2 2 355.486 2.152 40 0 FEABLP CC(C)(C)C[NH+]1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225422362 548733807 /nfs/dbraw/zinc/73/38/07/548733807.db2.gz UJIIYTZSSVWBLW-CQSZACIVSA-N 2 2 353.532 2.039 40 0 biogenic,in-vitro FEABLP CC(C)(C)C[NH+]1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225422362 548733810 /nfs/dbraw/zinc/73/38/10/548733810.db2.gz UJIIYTZSSVWBLW-CQSZACIVSA-N 2 2 353.532 2.039 40 0 biogenic,in-vitro FEABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000257264323 549722783 /nfs/dbraw/zinc/72/27/83/549722783.db2.gz LTWZBPVGWUPRHF-QGZVFWFLSA-N 2 2 356.474 2.187 40 0 FEABLP CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)ccc2c1N ZINC000257294559 549725228 /nfs/dbraw/zinc/72/52/28/549725228.db2.gz QURUKGAQRKBZRK-HNNXBMFYSA-N 2 2 373.526 2.469 40 0 FEABLP CNC(=O)c1sc2nc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)ccc2c1N ZINC000257294559 549725230 /nfs/dbraw/zinc/72/52/30/549725230.db2.gz QURUKGAQRKBZRK-HNNXBMFYSA-N 2 2 373.526 2.469 40 0 FEABLP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CCC[C@H]3Cn3cccn3)ccc2n1C ZINC000019658003 539664237 /nfs/dbraw/zinc/66/42/37/539664237.db2.gz HPYNOSCAGBZUHD-INIZCTEOSA-N 2 2 352.442 2.181 40 0 FEABLP Cc1[nH+]c2cc(NC(=O)C[N@H+]3CCC[C@H]3Cn3cccn3)ccc2n1C ZINC000019658003 539664240 /nfs/dbraw/zinc/66/42/40/539664240.db2.gz HPYNOSCAGBZUHD-INIZCTEOSA-N 2 2 352.442 2.181 40 0 FEABLP Cc1nonc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019654526 539663999 /nfs/dbraw/zinc/66/39/99/539663999.db2.gz JTNZTCNVYPQFJA-ZDUSSCGKSA-N 2 2 354.414 2.148 40 0 FEABLP Cc1nonc1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019654526 539664002 /nfs/dbraw/zinc/66/40/02/539664002.db2.gz JTNZTCNVYPQFJA-ZDUSSCGKSA-N 2 2 354.414 2.148 40 0 FEABLP CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3C)C2)CC1 ZINC000072350687 541801343 /nfs/dbraw/zinc/80/13/43/541801343.db2.gz OMECVYPFSQHTCF-QGZVFWFLSA-N 2 2 368.485 2.161 40 0 FEABLP CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3C)C2)CC1 ZINC000072350687 541801344 /nfs/dbraw/zinc/80/13/44/541801344.db2.gz OMECVYPFSQHTCF-QGZVFWFLSA-N 2 2 368.485 2.161 40 0 FEABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)COc1ccccc1 ZINC000585274648 570487310 /nfs/dbraw/zinc/48/73/10/570487310.db2.gz ZESHCWYUYRXNTK-NRFANRHFSA-N 2 2 370.493 2.391 40 0 FEABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)COc1ccccc1 ZINC000585274648 570487313 /nfs/dbraw/zinc/48/73/13/570487313.db2.gz ZESHCWYUYRXNTK-NRFANRHFSA-N 2 2 370.493 2.391 40 0 FEABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)COc1ccccc1 ZINC000585274651 570487543 /nfs/dbraw/zinc/48/75/43/570487543.db2.gz ZESHCWYUYRXNTK-OAQYLSRUSA-N 2 2 370.493 2.391 40 0 FEABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)COc1ccccc1 ZINC000585274651 570487547 /nfs/dbraw/zinc/48/75/47/570487547.db2.gz ZESHCWYUYRXNTK-OAQYLSRUSA-N 2 2 370.493 2.391 40 0 FEABLP CN(C)c1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333281704 571148175 /nfs/dbraw/zinc/14/81/75/571148175.db2.gz HRWSVRUOKXTDCE-OAHLLOKOSA-N 2 2 368.279 2.127 40 0 FEABLP O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657993 539664642 /nfs/dbraw/zinc/66/46/42/539664642.db2.gz REOYDLOKTGHXRQ-SFHVURJKSA-N 2 2 350.426 2.172 40 0 FEABLP O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657993 539664646 /nfs/dbraw/zinc/66/46/46/539664646.db2.gz REOYDLOKTGHXRQ-SFHVURJKSA-N 2 2 350.426 2.172 40 0 FEABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096055955 209105183 /nfs/dbraw/zinc/10/51/83/209105183.db2.gz FLXZMJZIECHXAJ-LPHOPBHVSA-N 2 2 350.459 2.003 40 0 FEABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096055955 209105184 /nfs/dbraw/zinc/10/51/84/209105184.db2.gz FLXZMJZIECHXAJ-LPHOPBHVSA-N 2 2 350.459 2.003 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096055955 209105185 /nfs/dbraw/zinc/10/51/85/209105185.db2.gz FLXZMJZIECHXAJ-LPHOPBHVSA-N 2 2 350.459 2.003 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096055955 209105187 /nfs/dbraw/zinc/10/51/87/209105187.db2.gz FLXZMJZIECHXAJ-LPHOPBHVSA-N 2 2 350.459 2.003 40 0 FEABLP CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257333890 210003228 /nfs/dbraw/zinc/00/32/28/210003228.db2.gz YDNQMZHZYJECDF-VAMGGRTRSA-N 2 2 368.481 2.316 40 0 FEABLP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1OC ZINC000019561158 539661358 /nfs/dbraw/zinc/66/13/58/539661358.db2.gz RYZOMYQCBNQRLY-HNNXBMFYSA-N 2 2 354.454 2.129 40 0 FEABLP COc1ccc(C[N@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1OC ZINC000019561158 539661363 /nfs/dbraw/zinc/66/13/63/539661363.db2.gz RYZOMYQCBNQRLY-HNNXBMFYSA-N 2 2 354.454 2.129 40 0 FEABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)Cn2c(C)[nH+]c3ccccc32)[C@H]1O ZINC000257252030 223037740 /nfs/dbraw/zinc/03/77/40/223037740.db2.gz JTHAYYVKECBLPS-QWFCFKBJSA-N 2 2 367.453 2.073 40 0 FEABLP COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(NCC[NH+](C)C)n1)CC2 ZINC000244371632 132249917 /nfs/dbraw/zinc/24/99/17/132249917.db2.gz XZFHIAMZFULMGN-UHFFFAOYSA-N 2 2 371.485 2.338 40 0 FEABLP COc1cc2c(cc1OC)CN(c1cc[nH+]c(NCC[NH+](C)C)n1)CC2 ZINC000243820466 132250119 /nfs/dbraw/zinc/25/01/19/132250119.db2.gz QUXRZIDGHJGURS-UHFFFAOYSA-N 2 2 357.458 2.030 40 0 FEABLP Cn1c[nH+]c(CN2CC[C@@]3(CCC[N@@H+]3CCc3ccccc3)[C@@H](O)C2)c1 ZINC000257279081 549724439 /nfs/dbraw/zinc/72/44/39/549724439.db2.gz OEYMNFIKNYPPHC-SFTDATJTSA-N 2 2 354.498 2.064 40 0 FEABLP Cn1c[nH+]c(CN2CC[C@@]3(CCC[N@H+]3CCc3ccccc3)[C@@H](O)C2)c1 ZINC000257279081 549724442 /nfs/dbraw/zinc/72/44/42/549724442.db2.gz OEYMNFIKNYPPHC-SFTDATJTSA-N 2 2 354.498 2.064 40 0 FEABLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527240 539659548 /nfs/dbraw/zinc/65/95/48/539659548.db2.gz GFMVUCUSHZBMLJ-KRWDZBQOSA-N 2 2 367.497 2.377 40 0 FEABLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527240 539659553 /nfs/dbraw/zinc/65/95/53/539659553.db2.gz GFMVUCUSHZBMLJ-KRWDZBQOSA-N 2 2 367.497 2.377 40 0 FEABLP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019561143 539661454 /nfs/dbraw/zinc/66/14/54/539661454.db2.gz IQDMODBFPKBPHV-KRWDZBQOSA-N 2 2 354.454 2.477 40 0 FEABLP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019561143 539661459 /nfs/dbraw/zinc/66/14/59/539661459.db2.gz IQDMODBFPKBPHV-KRWDZBQOSA-N 2 2 354.454 2.477 40 0 FEABLP Cn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cn1 ZINC000019715501 539667464 /nfs/dbraw/zinc/66/74/64/539667464.db2.gz KAIYJOWMNMWRQR-ZDUSSCGKSA-N 2 2 370.432 2.329 40 0 FEABLP Cn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cn1 ZINC000019715501 539667465 /nfs/dbraw/zinc/66/74/65/539667465.db2.gz KAIYJOWMNMWRQR-ZDUSSCGKSA-N 2 2 370.432 2.329 40 0 FEABLP C[N@H+](CCn1c[nH+]cc1-c1cnc(N2CCOCC2)nc1)C1CCCC1 ZINC000019719320 539668278 /nfs/dbraw/zinc/66/82/78/539668278.db2.gz WLDYEJBAZQJMBY-UHFFFAOYSA-N 2 2 356.474 2.051 40 0 FEABLP C[N@@H+](CCn1c[nH+]cc1-c1cnc(N2CCOCC2)nc1)C1CCCC1 ZINC000019719320 539668280 /nfs/dbraw/zinc/66/82/80/539668280.db2.gz WLDYEJBAZQJMBY-UHFFFAOYSA-N 2 2 356.474 2.051 40 0 FEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096056120 209105329 /nfs/dbraw/zinc/10/53/29/209105329.db2.gz HNQJIOSHMRESEN-UWJYYQICSA-N 2 2 368.481 2.481 40 0 FEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056120 209105332 /nfs/dbraw/zinc/10/53/32/209105332.db2.gz HNQJIOSHMRESEN-UWJYYQICSA-N 2 2 368.481 2.481 40 0 FEABLP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1OC ZINC000019561155 539661038 /nfs/dbraw/zinc/66/10/38/539661038.db2.gz RYZOMYQCBNQRLY-OAHLLOKOSA-N 2 2 354.454 2.129 40 0 FEABLP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1OC ZINC000019561155 539661042 /nfs/dbraw/zinc/66/10/42/539661042.db2.gz RYZOMYQCBNQRLY-OAHLLOKOSA-N 2 2 354.454 2.129 40 0 FEABLP c1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240457 209143166 /nfs/dbraw/zinc/14/31/66/209143166.db2.gz VDOJMUFLTYEVPG-ICSRJNTNSA-N 2 2 354.454 2.196 40 0 FEABLP c1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096240457 209143169 /nfs/dbraw/zinc/14/31/69/209143169.db2.gz VDOJMUFLTYEVPG-ICSRJNTNSA-N 2 2 354.454 2.196 40 0 FEABLP C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215833 209135650 /nfs/dbraw/zinc/13/56/50/209135650.db2.gz GLQIOVBMKAAFSQ-WIYYLYMNSA-N 2 2 352.482 2.447 40 0 FEABLP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215833 209135654 /nfs/dbraw/zinc/13/56/54/209135654.db2.gz GLQIOVBMKAAFSQ-WIYYLYMNSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096215833 209135655 /nfs/dbraw/zinc/13/56/55/209135655.db2.gz GLQIOVBMKAAFSQ-WIYYLYMNSA-N 2 2 352.482 2.447 40 0 FEABLP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096215833 209135657 /nfs/dbraw/zinc/13/56/57/209135657.db2.gz GLQIOVBMKAAFSQ-WIYYLYMNSA-N 2 2 352.482 2.447 40 0 FEABLP CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329004410 571134473 /nfs/dbraw/zinc/13/44/73/571134473.db2.gz KSEZGSFBRQJENN-HNNXBMFYSA-N 2 2 369.513 2.629 40 0 FEABLP Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000019289978 539654670 /nfs/dbraw/zinc/65/46/70/539654670.db2.gz KUAYJQIPFSJUBZ-INIZCTEOSA-N 2 2 366.469 2.193 40 0 FEABLP C[C@@H]1CCCN(c2ncc(C[NH+]3CCC(N(C)CC[NH+](C)C)CC3)cn2)C1 ZINC000019496651 539658257 /nfs/dbraw/zinc/65/82/57/539658257.db2.gz WHYSKFVBMQXQFZ-GOSISDBHSA-N 2 2 374.577 2.171 40 0 FEABLP Cc1nn(C)cc1C[NH+]1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019698041 539665134 /nfs/dbraw/zinc/66/51/34/539665134.db2.gz SNSNZQJJZLTENF-LJQANCHMSA-N 3 2 354.502 2.179 40 0 FEABLP CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000072378813 541802795 /nfs/dbraw/zinc/80/27/95/541802795.db2.gz GBDMFJKADSUKQL-SFHVURJKSA-N 2 2 354.458 2.119 40 0 FEABLP CC(=O)N1CCC([N@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000072378813 541802798 /nfs/dbraw/zinc/80/27/98/541802798.db2.gz GBDMFJKADSUKQL-SFHVURJKSA-N 2 2 354.458 2.119 40 0 FEABLP CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096254619 209145373 /nfs/dbraw/zinc/14/53/73/209145373.db2.gz HOIUAAMQOYAJCA-UHFFFAOYSA-N 2 2 355.490 2.206 40 0 FEABLP CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096254619 209145376 /nfs/dbraw/zinc/14/53/76/209145376.db2.gz HOIUAAMQOYAJCA-UHFFFAOYSA-N 2 2 355.490 2.206 40 0 FEABLP CNP1(N(C)C)=[NH+]P(NC)(N(C)C)=[NH+][P@](NC)(N(C)C)=N1 ZINC000004794948 207049170 /nfs/dbraw/zinc/04/91/70/207049170.db2.gz XSRYSIBCWHYSAC-UHFFFAOYSA-N 2 2 357.324 2.182 40 0 FEABLP CNP1(N(C)C)=[NH+]P(NC)(N(C)C)=[NH+][P@@](NC)(N(C)C)=N1 ZINC000004794948 207049175 /nfs/dbraw/zinc/04/91/75/207049175.db2.gz XSRYSIBCWHYSAC-UHFFFAOYSA-N 2 2 357.324 2.182 40 0 FEABLP CNP1(N(C)C)=N[P@@](NC)(N(C)C)=[NH+]P(NC)(N(C)C)=[NH+]1 ZINC000004794948 207049179 /nfs/dbraw/zinc/04/91/79/207049179.db2.gz XSRYSIBCWHYSAC-UHFFFAOYSA-N 2 2 357.324 2.182 40 0 FEABLP CNP1(N(C)C)=N[P@](NC)(N(C)C)=[NH+]P(NC)(N(C)C)=[NH+]1 ZINC000004794948 207049181 /nfs/dbraw/zinc/04/91/81/207049181.db2.gz XSRYSIBCWHYSAC-UHFFFAOYSA-N 2 2 357.324 2.182 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052071 209103250 /nfs/dbraw/zinc/10/32/50/209103250.db2.gz MJUFYZKUQWDMKV-QUCCMNQESA-N 2 2 357.454 2.199 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052071 209103252 /nfs/dbraw/zinc/10/32/52/209103252.db2.gz MJUFYZKUQWDMKV-QUCCMNQESA-N 2 2 357.454 2.199 40 0 FEABLP CO[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C[C@@]12CCCO2 ZINC000257216896 549719195 /nfs/dbraw/zinc/71/91/95/549719195.db2.gz CWOSQNOEKMFAJG-ICSRJNTNSA-N 2 2 372.469 2.090 40 0 FEABLP CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C[C@@]12CCCO2 ZINC000257216896 549719198 /nfs/dbraw/zinc/71/91/98/549719198.db2.gz CWOSQNOEKMFAJG-ICSRJNTNSA-N 2 2 372.469 2.090 40 0 FEABLP COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1OC ZINC000329015961 210131032 /nfs/dbraw/zinc/13/10/32/210131032.db2.gz NEMIQCSIJOSFHF-UHFFFAOYSA-N 2 2 371.485 2.322 40 0 FEABLP CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000072378814 541803561 /nfs/dbraw/zinc/80/35/61/541803561.db2.gz GBDMFJKADSUKQL-GOSISDBHSA-N 2 2 354.458 2.119 40 0 FEABLP CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000072378814 541803562 /nfs/dbraw/zinc/80/35/62/541803562.db2.gz GBDMFJKADSUKQL-GOSISDBHSA-N 2 2 354.458 2.119 40 0 FEABLP COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC(C)C)cc1 ZINC000096230258 222091733 /nfs/dbraw/zinc/09/17/33/222091733.db2.gz PRJKWQSRSKWUNV-UHFFFAOYSA-N 2 2 359.514 2.460 40 0 FEABLP COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CC[N@@H+]3CC(C)C)cc1 ZINC000096230258 222091735 /nfs/dbraw/zinc/09/17/35/222091735.db2.gz PRJKWQSRSKWUNV-UHFFFAOYSA-N 2 2 359.514 2.460 40 0 FEABLP O=C(NCCc1cccs1)[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247508118 549347402 /nfs/dbraw/zinc/34/74/02/549347402.db2.gz SARGRHCRTWWMIG-SFHVURJKSA-N 2 2 374.510 2.087 40 0 FEABLP O=C(NCCc1cccs1)[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247508118 549347405 /nfs/dbraw/zinc/34/74/05/549347405.db2.gz SARGRHCRTWWMIG-SFHVURJKSA-N 2 2 374.510 2.087 40 0 FEABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc[nH+]1 ZINC000257282456 534735304 /nfs/dbraw/zinc/73/53/04/534735304.db2.gz OTVCKCNPXCWJAB-KRWDZBQOSA-N 2 2 355.438 2.269 40 0 FEABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc[nH+]1 ZINC000257282456 534735311 /nfs/dbraw/zinc/73/53/11/534735311.db2.gz OTVCKCNPXCWJAB-KRWDZBQOSA-N 2 2 355.438 2.269 40 0 FEABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](CCCc2ccccc2)CC1 ZINC000257296821 534748508 /nfs/dbraw/zinc/74/85/08/534748508.db2.gz REMZINLEMSKFCX-HXUWFJFHSA-N 2 2 353.470 2.433 40 0 FEABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000257296821 534748513 /nfs/dbraw/zinc/74/85/13/534748513.db2.gz REMZINLEMSKFCX-HXUWFJFHSA-N 2 2 353.470 2.433 40 0 FEABLP CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035426260 539982347 /nfs/dbraw/zinc/98/23/47/539982347.db2.gz RJATZPHACCDICP-INIZCTEOSA-N 2 2 356.474 2.429 40 0 biogenic,in-vitro FEABLP COCCC(=O)N1CCC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000096202426 222075251 /nfs/dbraw/zinc/07/52/51/222075251.db2.gz NJQFKXSTWBDOIS-UHFFFAOYSA-N 2 2 371.525 2.222 40 0 FEABLP C[NH+](C)CCCNc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000328965233 210126392 /nfs/dbraw/zinc/12/63/92/210126392.db2.gz CBAUSUSMGKGSED-UHFFFAOYSA-N 2 2 362.481 2.358 40 0 FEABLP COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328955824 210124740 /nfs/dbraw/zinc/12/47/40/210124740.db2.gz ACSNBTLDZZUTAN-UHFFFAOYSA-N 2 2 371.485 2.322 40 0 FEABLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1cc(C[NH+](C)C)n(C)n1 ZINC000019710080 539666339 /nfs/dbraw/zinc/66/63/39/539666339.db2.gz QPOVFUYZPCJDRK-QGZVFWFLSA-N 2 2 358.490 2.165 40 0 FEABLP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019711029 211246824 /nfs/dbraw/zinc/24/68/24/211246824.db2.gz MBMNVZVPRWYEKX-SFHVURJKSA-N 2 2 366.513 2.361 40 0 FEABLP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019711029 211246829 /nfs/dbraw/zinc/24/68/29/211246829.db2.gz MBMNVZVPRWYEKX-SFHVURJKSA-N 2 2 366.513 2.361 40 0 FEABLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257337380 534678089 /nfs/dbraw/zinc/67/80/89/534678089.db2.gz YSOHWJPKGNJLLD-OALUTQOASA-N 2 2 367.453 2.156 40 0 FEABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)C[NH+](C)C)C3)cn2)n1C ZINC000257270470 534721196 /nfs/dbraw/zinc/72/11/96/534721196.db2.gz MUIITTUKTDJEMA-QGZVFWFLSA-N 2 2 355.486 2.133 40 0 FEABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324865 534734088 /nfs/dbraw/zinc/73/40/88/534734088.db2.gz WQNHEDOPUCZKQR-KRWDZBQOSA-N 2 2 355.490 2.040 40 0 FEABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324865 534734091 /nfs/dbraw/zinc/73/40/91/534734091.db2.gz WQNHEDOPUCZKQR-KRWDZBQOSA-N 2 2 355.490 2.040 40 0 FEABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324866 534734281 /nfs/dbraw/zinc/73/42/81/534734281.db2.gz WQNHEDOPUCZKQR-QGZVFWFLSA-N 2 2 355.490 2.040 40 0 FEABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324866 534734287 /nfs/dbraw/zinc/73/42/87/534734287.db2.gz WQNHEDOPUCZKQR-QGZVFWFLSA-N 2 2 355.490 2.040 40 0 FEABLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000332364155 554432417 /nfs/dbraw/zinc/43/24/17/554432417.db2.gz XCRYTJLDBTULKG-UHFFFAOYSA-N 2 2 367.291 2.033 40 0 FEABLP C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000328958519 210126978 /nfs/dbraw/zinc/12/69/78/210126978.db2.gz APOPJLVWUAFARI-UHFFFAOYSA-N 2 2 355.442 2.034 40 0 FEABLP COc1cc2c(cc1C[N@@H+]1CCn3c(nnc3[C@H]3CCC[NH2+]C3)C1)CCC2 ZINC000072372136 541802289 /nfs/dbraw/zinc/80/22/89/541802289.db2.gz XLXLACQZDXCFJT-KRWDZBQOSA-N 2 2 367.497 2.258 40 0 FEABLP COc1cc2c(cc1C[N@H+]1CCn3c(nnc3[C@H]3CCC[NH2+]C3)C1)CCC2 ZINC000072372136 541802294 /nfs/dbraw/zinc/80/22/94/541802294.db2.gz XLXLACQZDXCFJT-KRWDZBQOSA-N 2 2 367.497 2.258 40 0 FEABLP COCCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019593728 211240882 /nfs/dbraw/zinc/24/08/82/211240882.db2.gz YHBFCZGJVZQSIN-FQEVSTJZSA-N 2 2 368.481 2.485 40 0 FEABLP COCCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019593728 211240884 /nfs/dbraw/zinc/24/08/84/211240884.db2.gz YHBFCZGJVZQSIN-FQEVSTJZSA-N 2 2 368.481 2.485 40 0 FEABLP COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])CC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000257212418 533544871 /nfs/dbraw/zinc/54/48/71/533544871.db2.gz CDHWAZCXQUPHDF-CGXNFDGLSA-N 2 2 356.466 2.425 40 0 FEABLP COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])CC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000257212418 533544875 /nfs/dbraw/zinc/54/48/75/533544875.db2.gz CDHWAZCXQUPHDF-CGXNFDGLSA-N 2 2 356.466 2.425 40 0 FEABLP CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329012571 571134601 /nfs/dbraw/zinc/13/46/01/571134601.db2.gz MKNRHDPHFIJGTM-UHFFFAOYSA-N 2 2 355.486 2.584 40 0 FEABLP COc1ccc(-c2nc(N3CC[NH+](C)CC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221366 539550601 /nfs/dbraw/zinc/55/06/01/539550601.db2.gz QMCFPMRDMNPHET-UHFFFAOYSA-N 2 2 350.426 2.294 40 0 FEABLP O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657991 211242949 /nfs/dbraw/zinc/24/29/49/211242949.db2.gz REOYDLOKTGHXRQ-GOSISDBHSA-N 2 2 350.426 2.172 40 0 FEABLP O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657991 211242953 /nfs/dbraw/zinc/24/29/53/211242953.db2.gz REOYDLOKTGHXRQ-GOSISDBHSA-N 2 2 350.426 2.172 40 0 FEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019287721 211212537 /nfs/dbraw/zinc/21/25/37/211212537.db2.gz KGEIYZVEPHYQIF-RDTXWAMCSA-N 2 2 368.485 2.017 40 0 FEABLP Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000012116332 539543974 /nfs/dbraw/zinc/54/39/74/539543974.db2.gz LJNAENABCWLBHX-UHFFFAOYSA-N 2 2 366.469 2.193 40 0 FEABLP c1[nH+]cn(CCC[NH+]2CCCCC2)c1-c1cnc(N2CCOCC2)nc1 ZINC000019719347 539668244 /nfs/dbraw/zinc/66/82/44/539668244.db2.gz HYTMOFBAICEIOH-UHFFFAOYSA-N 2 2 356.474 2.053 40 0 FEABLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)ccc2O1 ZINC000019711023 211247450 /nfs/dbraw/zinc/24/74/50/211247450.db2.gz RQJMHFXZJGVRCI-INIZCTEOSA-N 2 2 367.497 2.474 40 0 FEABLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)ccc2O1 ZINC000019711023 211247454 /nfs/dbraw/zinc/24/74/54/211247454.db2.gz RQJMHFXZJGVRCI-INIZCTEOSA-N 2 2 367.497 2.474 40 0 FEABLP CCOc1cc2c(cc1C[NH+]1CCC(O)(Cn3cc[nH+]c3C)CC1)OCO2 ZINC000019532433 211229943 /nfs/dbraw/zinc/22/99/43/211229943.db2.gz KFIVVWPKCAEFID-UHFFFAOYSA-N 2 2 373.453 2.346 40 0 FEABLP Cc1cccc(N2CCc3[nH+]c(N4CCOCC4)nc(NC(C)C)c3C2)[nH+]1 ZINC000096083710 132218981 /nfs/dbraw/zinc/21/89/81/132218981.db2.gz SMWYQBHFKGKOKB-UHFFFAOYSA-N 2 2 368.485 2.400 40 0 FEABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096055958 222005511 /nfs/dbraw/zinc/00/55/11/222005511.db2.gz FRCLVJJKSLMWCE-HKUYNNGSSA-N 2 2 366.527 2.472 40 0 FEABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096055958 222005512 /nfs/dbraw/zinc/00/55/12/222005512.db2.gz FRCLVJJKSLMWCE-HKUYNNGSSA-N 2 2 366.527 2.472 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096055958 222005515 /nfs/dbraw/zinc/00/55/15/222005515.db2.gz FRCLVJJKSLMWCE-HKUYNNGSSA-N 2 2 366.527 2.472 40 0 FEABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096055958 222005517 /nfs/dbraw/zinc/00/55/17/222005517.db2.gz FRCLVJJKSLMWCE-HKUYNNGSSA-N 2 2 366.527 2.472 40 0 FEABLP Cn1cncc1C[N@@H+]1CCC[C@@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000107228880 222391627 /nfs/dbraw/zinc/39/16/27/222391627.db2.gz ZRMVIBAWNBUBOS-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[N@H+]1CCC[C@@]2(C[C@@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000107228880 222391629 /nfs/dbraw/zinc/39/16/29/222391629.db2.gz ZRMVIBAWNBUBOS-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@@]2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000107228880 222391633 /nfs/dbraw/zinc/39/16/33/222391633.db2.gz ZRMVIBAWNBUBOS-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP Cn1cncc1C[NH+]1CCC[C@@]2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000107228880 222391636 /nfs/dbraw/zinc/39/16/36/222391636.db2.gz ZRMVIBAWNBUBOS-UYAOXDASSA-N 2 2 355.486 2.071 40 0 FEABLP C[N@H+](CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)Cc1ccccn1 ZINC000257245532 536306042 /nfs/dbraw/zinc/30/60/42/536306042.db2.gz IPYBMVSRNWRNBQ-SFHVURJKSA-N 2 2 353.470 2.084 40 0 FEABLP C[N@@H+](CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)Cc1ccccn1 ZINC000257245532 536306044 /nfs/dbraw/zinc/30/60/44/536306044.db2.gz IPYBMVSRNWRNBQ-SFHVURJKSA-N 2 2 353.470 2.084 40 0 FEABLP CC[NH+](CC)Cc1cc(C[N@@H+]2CCc3c(nc(C)[nH]c3=O)C2)ccc1OC ZINC000036735021 539993255 /nfs/dbraw/zinc/99/32/55/539993255.db2.gz RZNCPUNQRFLMRD-UHFFFAOYSA-N 2 2 370.497 2.487 40 0 FEABLP CC[NH+](CC)Cc1cc(C[N@H+]2CCc3c(nc(C)[nH]c3=O)C2)ccc1OC ZINC000036735021 539993258 /nfs/dbraw/zinc/99/32/58/539993258.db2.gz RZNCPUNQRFLMRD-UHFFFAOYSA-N 2 2 370.497 2.487 40 0 FEABLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(N)nc2)cc1 ZINC000036740177 539993311 /nfs/dbraw/zinc/99/33/11/539993311.db2.gz XTKBISDSXLAKQC-UHFFFAOYSA-N 2 2 352.442 2.356 40 0 FEABLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(N)nc2)cc1 ZINC000036740177 539993314 /nfs/dbraw/zinc/99/33/14/539993314.db2.gz XTKBISDSXLAKQC-UHFFFAOYSA-N 2 2 352.442 2.356 40 0 FEABLP Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)[nH+]1 ZINC000257264820 223042559 /nfs/dbraw/zinc/04/25/59/223042559.db2.gz LWCULIZCYNCHRH-GOSISDBHSA-N 2 2 357.458 2.033 40 0 FEABLP O=C(C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019717441 211249657 /nfs/dbraw/zinc/24/96/57/211249657.db2.gz NHUUWHHBBYUFCU-QGZVFWFLSA-N 3 2 364.453 2.420 40 0 FEABLP O=C(C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019717441 211249664 /nfs/dbraw/zinc/24/96/64/211249664.db2.gz NHUUWHHBBYUFCU-QGZVFWFLSA-N 3 2 364.453 2.420 40 0 FEABLP O=C(C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717441 211249667 /nfs/dbraw/zinc/24/96/67/211249667.db2.gz NHUUWHHBBYUFCU-QGZVFWFLSA-N 2 2 364.453 2.420 40 0 FEABLP O=C(C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717441 211249672 /nfs/dbraw/zinc/24/96/72/211249672.db2.gz NHUUWHHBBYUFCU-QGZVFWFLSA-N 2 2 364.453 2.420 40 0 FEABLP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019561146 211233165 /nfs/dbraw/zinc/23/31/65/211233165.db2.gz IQDMODBFPKBPHV-QGZVFWFLSA-N 2 2 354.454 2.477 40 0 FEABLP COc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019561146 211233171 /nfs/dbraw/zinc/23/31/71/211233171.db2.gz IQDMODBFPKBPHV-QGZVFWFLSA-N 2 2 354.454 2.477 40 0 FEABLP COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C[NH+]1CCOCC1 ZINC000019575740 220275839 /nfs/dbraw/zinc/27/58/39/220275839.db2.gz RHCFKHMJWNQCNU-PXNSSMCTSA-N 2 2 359.514 2.196 40 0 FEABLP COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C[NH+]1CCOCC1 ZINC000019575740 220275844 /nfs/dbraw/zinc/27/58/44/220275844.db2.gz RHCFKHMJWNQCNU-PXNSSMCTSA-N 2 2 359.514 2.196 40 0 FEABLP CCn1cc[nH+]c1CN1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019697969 539665021 /nfs/dbraw/zinc/66/50/21/539665021.db2.gz PSHBQALXXSTRGM-GOSISDBHSA-N 3 2 354.502 2.353 40 0 FEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019287778 220247223 /nfs/dbraw/zinc/24/72/23/220247223.db2.gz QLLZXRNVFYMOTL-INIZCTEOSA-N 2 2 372.469 2.177 40 0 FEABLP O=C(C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000019715461 220287359 /nfs/dbraw/zinc/28/73/59/220287359.db2.gz UKPXDGPKXOTFFE-INIZCTEOSA-N 2 2 370.453 2.395 40 0 FEABLP O=C(C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000019715461 220287365 /nfs/dbraw/zinc/28/73/65/220287365.db2.gz UKPXDGPKXOTFFE-INIZCTEOSA-N 2 2 370.453 2.395 40 0 FEABLP Cn1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c2cc(F)ccc21 ZINC000019711173 220287384 /nfs/dbraw/zinc/28/73/84/220287384.db2.gz LERRNBGZDDVTCS-UHFFFAOYSA-N 2 2 368.460 2.392 40 0 FEABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096060864 222007469 /nfs/dbraw/zinc/00/74/69/222007469.db2.gz WGMPMRAYCFCQNH-OAHLLOKOSA-N 2 2 363.531 2.346 40 0 FEABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096060864 222007471 /nfs/dbraw/zinc/00/74/71/222007471.db2.gz WGMPMRAYCFCQNH-OAHLLOKOSA-N 2 2 363.531 2.346 40 0 FEABLP CN(C)c1nc(N2CCCC2)[nH+]c2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000096254588 222101335 /nfs/dbraw/zinc/10/13/35/222101335.db2.gz PQZMEGADLYYJHN-UHFFFAOYSA-N 2 2 352.486 2.139 40 0 FEABLP CN(C)c1nc(N2CCCC2)[nH+]c2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096254588 222101338 /nfs/dbraw/zinc/10/13/38/222101338.db2.gz PQZMEGADLYYJHN-UHFFFAOYSA-N 2 2 352.486 2.139 40 0 FEABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000012143458 539546110 /nfs/dbraw/zinc/54/61/10/539546110.db2.gz ZCGNHBJDDNTBNZ-UHFFFAOYSA-N 2 2 365.481 2.463 40 0 FEABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257251445 223037503 /nfs/dbraw/zinc/03/75/03/223037503.db2.gz JQUJAUHUJAMBTK-GOSISDBHSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)CC[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257251445 223037505 /nfs/dbraw/zinc/03/75/05/223037505.db2.gz JQUJAUHUJAMBTK-GOSISDBHSA-N 2 2 355.486 2.352 40 0 FEABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](Cc3cnccn3)CC2)n1C ZINC000257284751 223050573 /nfs/dbraw/zinc/05/05/73/223050573.db2.gz PEDAAHAPDRRHAL-UHFFFAOYSA-N 2 2 363.469 2.430 40 0 FEABLP CC(=O)N1CCC([N@@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3C)C2)CC1 ZINC000072350688 541801308 /nfs/dbraw/zinc/80/13/08/541801308.db2.gz OMECVYPFSQHTCF-KRWDZBQOSA-N 2 2 368.485 2.161 40 0 FEABLP CC(=O)N1CCC([N@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3C)C2)CC1 ZINC000072350688 541801311 /nfs/dbraw/zinc/80/13/11/541801311.db2.gz OMECVYPFSQHTCF-KRWDZBQOSA-N 2 2 368.485 2.161 40 0 FEABLP Cn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000019719792 220292030 /nfs/dbraw/zinc/29/20/30/220292030.db2.gz SKXKXVGEZLQGJJ-AWEZNQCLSA-N 2 2 352.442 2.190 40 0 FEABLP Cn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000019719792 220292032 /nfs/dbraw/zinc/29/20/32/220292032.db2.gz SKXKXVGEZLQGJJ-AWEZNQCLSA-N 2 2 352.442 2.190 40 0 FEABLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)ccc2O1 ZINC000019711022 220287915 /nfs/dbraw/zinc/28/79/15/220287915.db2.gz RQJMHFXZJGVRCI-MRXNPFEDSA-N 2 2 367.497 2.474 40 0 FEABLP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)ccc2O1 ZINC000019711022 220287918 /nfs/dbraw/zinc/28/79/18/220287918.db2.gz RQJMHFXZJGVRCI-MRXNPFEDSA-N 2 2 367.497 2.474 40 0 FEABLP COc1ncccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096158990 132221223 /nfs/dbraw/zinc/22/12/23/132221223.db2.gz FTIOYSLMPIHWNQ-UHFFFAOYSA-N 2 2 354.454 2.357 40 0 FEABLP C[NH+](C)CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]cn1 ZINC000328982523 132372164 /nfs/dbraw/zinc/37/21/64/132372164.db2.gz HBDLWLBNLFHTDW-UHFFFAOYSA-N 2 2 355.486 2.240 40 0 FEABLP COc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108132 222026356 /nfs/dbraw/zinc/02/63/56/222026356.db2.gz HURMTQPNZWGAHW-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108132 222026359 /nfs/dbraw/zinc/02/63/59/222026359.db2.gz HURMTQPNZWGAHW-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108132 222026362 /nfs/dbraw/zinc/02/63/62/222026362.db2.gz HURMTQPNZWGAHW-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP COc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108132 222026363 /nfs/dbraw/zinc/02/63/63/222026363.db2.gz HURMTQPNZWGAHW-PZJWPPBQSA-N 2 2 353.466 2.423 40 0 FEABLP S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCOCC1)Nc1ccccc1 ZINC000020503782 120050262 /nfs/dbraw/zinc/05/02/62/120050262.db2.gz ACAMIWCGVBLJJL-JENIJYKNSA-N 2 2 374.554 2.016 40 0 biogenic,in-vitro FEABLP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CCC[C@@H]3Cn3cccn3)ccc2n1C ZINC000019658001 220282683 /nfs/dbraw/zinc/28/26/83/220282683.db2.gz HPYNOSCAGBZUHD-MRXNPFEDSA-N 2 2 352.442 2.181 40 0 FEABLP Cc1[nH+]c2cc(NC(=O)C[N@H+]3CCC[C@@H]3Cn3cccn3)ccc2n1C ZINC000019658001 220282685 /nfs/dbraw/zinc/28/26/85/220282685.db2.gz HPYNOSCAGBZUHD-MRXNPFEDSA-N 2 2 352.442 2.181 40 0 FEABLP O=C(C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019717442 220289809 /nfs/dbraw/zinc/28/98/09/220289809.db2.gz NHUUWHHBBYUFCU-KRWDZBQOSA-N 3 2 364.453 2.420 40 0 FEABLP O=C(C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019717442 220289814 /nfs/dbraw/zinc/28/98/14/220289814.db2.gz NHUUWHHBBYUFCU-KRWDZBQOSA-N 3 2 364.453 2.420 40 0 FEABLP O=C(C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717442 220289818 /nfs/dbraw/zinc/28/98/18/220289818.db2.gz NHUUWHHBBYUFCU-KRWDZBQOSA-N 2 2 364.453 2.420 40 0 FEABLP O=C(C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717442 220289821 /nfs/dbraw/zinc/28/98/21/220289821.db2.gz NHUUWHHBBYUFCU-KRWDZBQOSA-N 2 2 364.453 2.420 40 0 FEABLP COc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096062330 222008384 /nfs/dbraw/zinc/00/83/84/222008384.db2.gz QVNNRKCCLKSKGH-OAQYLSRUSA-N 2 2 360.498 2.399 40 0 FEABLP COc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096062330 222008387 /nfs/dbraw/zinc/00/83/87/222008387.db2.gz QVNNRKCCLKSKGH-OAQYLSRUSA-N 2 2 360.498 2.399 40 0 FEABLP COc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096062330 222008389 /nfs/dbraw/zinc/00/83/89/222008389.db2.gz QVNNRKCCLKSKGH-OAQYLSRUSA-N 2 2 360.498 2.399 40 0 FEABLP COc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096062330 222008392 /nfs/dbraw/zinc/00/83/92/222008392.db2.gz QVNNRKCCLKSKGH-OAQYLSRUSA-N 2 2 360.498 2.399 40 0 FEABLP CC(C)n1cnc2c1[C@H](C(=O)N1CCC([NH+](C)C)CC1)[N@H+](CC1CC1)CC2 ZINC000096147236 222048415 /nfs/dbraw/zinc/04/84/15/222048415.db2.gz VKWGGYVWDSRUJA-HXUWFJFHSA-N 2 2 373.545 2.326 40 0 FEABLP CC(C)n1cnc2c1[C@H](C(=O)N1CCC([NH+](C)C)CC1)[N@@H+](CC1CC1)CC2 ZINC000096147236 222048417 /nfs/dbraw/zinc/04/84/17/222048417.db2.gz VKWGGYVWDSRUJA-HXUWFJFHSA-N 2 2 373.545 2.326 40 0 FEABLP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257287230 534676134 /nfs/dbraw/zinc/67/61/34/534676134.db2.gz PPCQQQDCHLBSCP-QWFCFKBJSA-N 2 2 367.453 2.154 40 0 FEABLP Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257322534 549727277 /nfs/dbraw/zinc/72/72/77/549727277.db2.gz WGJKBTNNXSWDCG-HXUWFJFHSA-N 2 2 374.460 2.207 40 0 FEABLP Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257322534 549727282 /nfs/dbraw/zinc/72/72/82/549727282.db2.gz WGJKBTNNXSWDCG-HXUWFJFHSA-N 2 2 374.460 2.207 40 0 FEABLP c1[nH+]cn2c1C[N@H+](CC1CCOCC1)C[C@H](COCc1ccncc1)C2 ZINC000096208019 222078696 /nfs/dbraw/zinc/07/86/96/222078696.db2.gz CJJYRXNAYHYUDV-IBGZPJMESA-N 2 2 356.470 2.353 40 0 FEABLP c1[nH+]cn2c1C[N@@H+](CC1CCOCC1)C[C@H](COCc1ccncc1)C2 ZINC000096208019 222078699 /nfs/dbraw/zinc/07/86/99/222078699.db2.gz CJJYRXNAYHYUDV-IBGZPJMESA-N 2 2 356.470 2.353 40 0 FEABLP CNC(=O)c1sc2nccnc2c1C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000257334896 529954944 /nfs/dbraw/zinc/95/49/44/529954944.db2.gz YHUYGLFOLKVITP-UHFFFAOYSA-N 2 2 373.526 2.325 40 0 FEABLP Cc1nn(C)cc1C[NH+]1CCN(c2cc(C)[nH+]c([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019698040 539665201 /nfs/dbraw/zinc/66/52/01/539665201.db2.gz SNSNZQJJZLTENF-IBGZPJMESA-N 3 2 354.502 2.179 40 0 FEABLP Cc1nn(C)cc1C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000072327138 541799352 /nfs/dbraw/zinc/79/93/52/541799352.db2.gz MEMVIJZOSNLKDX-UHFFFAOYSA-N 2 2 350.470 2.209 40 0 FEABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000257264322 534734011 /nfs/dbraw/zinc/73/40/11/534734011.db2.gz LTWZBPVGWUPRHF-KRWDZBQOSA-N 2 2 356.474 2.187 40 0 FEABLP CCCCc1[nH]c(CN2CCO[C@@H](c3nccc(C[NH+](C)C)n3)C2)c[nH+]1 ZINC000257213318 529040116 /nfs/dbraw/zinc/04/01/16/529040116.db2.gz CHAYVBLPAWHEPI-QGZVFWFLSA-N 2 2 358.490 2.177 40 0 FEABLP CCCCc1[nH]cc(CN2CCO[C@@H](c3nccc(C[NH+](C)C)n3)C2)[nH+]1 ZINC000257213318 529040122 /nfs/dbraw/zinc/04/01/22/529040122.db2.gz CHAYVBLPAWHEPI-QGZVFWFLSA-N 2 2 358.490 2.177 40 0 FEABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](CC3CC3)CC2)cs1 ZINC000225466233 548734780 /nfs/dbraw/zinc/73/47/80/548734780.db2.gz BCIKEZQYYQCLSZ-MRXNPFEDSA-N 2 2 365.543 2.447 40 0 biogenic,in-vitro FEABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](CC3CC3)CC2)cs1 ZINC000225466233 548734789 /nfs/dbraw/zinc/73/47/89/548734789.db2.gz BCIKEZQYYQCLSZ-MRXNPFEDSA-N 2 2 365.543 2.447 40 0 biogenic,in-vitro FEABLP C[NH+]1CCN(CCNc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)CC1 ZINC000328963888 571128953 /nfs/dbraw/zinc/12/89/53/571128953.db2.gz BSIQMURHYORHFH-UHFFFAOYSA-N 2 2 368.529 3.013 40 0 FEABLP Cc1ccc(C[C@H]2CCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)c[nH+]1 ZINC000257220046 223025428 /nfs/dbraw/zinc/02/54/28/223025428.db2.gz DJHCQEKPPJACTC-QGZVFWFLSA-N 2 2 351.516 2.069 40 0 FEABLP Cc1ccc(C[C@H]2CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)c[nH+]1 ZINC000257220046 223025432 /nfs/dbraw/zinc/02/54/32/223025432.db2.gz DJHCQEKPPJACTC-QGZVFWFLSA-N 2 2 351.516 2.069 40 0 FEABLP CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257309219 223060948 /nfs/dbraw/zinc/06/09/48/223060948.db2.gz TZZRXYVENIIVRJ-CYBMUJFWSA-N 2 2 373.526 2.277 40 0 FEABLP CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257309219 223060950 /nfs/dbraw/zinc/06/09/50/223060950.db2.gz TZZRXYVENIIVRJ-CYBMUJFWSA-N 2 2 373.526 2.277 40 0 FEABLP Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658844 220282723 /nfs/dbraw/zinc/28/27/23/220282723.db2.gz VJPLICJDELUUEJ-HNNXBMFYSA-N 2 2 366.469 2.498 40 0 FEABLP Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658844 220282728 /nfs/dbraw/zinc/28/27/28/220282728.db2.gz VJPLICJDELUUEJ-HNNXBMFYSA-N 2 2 366.469 2.498 40 0 FEABLP O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019658528 220283860 /nfs/dbraw/zinc/28/38/60/220283860.db2.gz SPTWTEBSOQDIEU-MRXNPFEDSA-N 2 2 350.426 2.172 40 0 FEABLP O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019658528 220283864 /nfs/dbraw/zinc/28/38/64/220283864.db2.gz SPTWTEBSOQDIEU-MRXNPFEDSA-N 2 2 350.426 2.172 40 0 FEABLP C[NH+](C)CCCNc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329025260 223130007 /nfs/dbraw/zinc/13/00/07/223130007.db2.gz PEZUWVBHYJWTLG-UHFFFAOYSA-N 2 2 362.481 2.358 40 0 FEABLP O=C(C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000019715460 220287313 /nfs/dbraw/zinc/28/73/13/220287313.db2.gz UKPXDGPKXOTFFE-MRXNPFEDSA-N 2 2 370.453 2.395 40 0 FEABLP O=C(C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000019715460 220287321 /nfs/dbraw/zinc/28/73/21/220287321.db2.gz UKPXDGPKXOTFFE-MRXNPFEDSA-N 2 2 370.453 2.395 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127970932 544024786 /nfs/dbraw/zinc/02/47/86/544024786.db2.gz OGQJLVLTOAQTRO-YJBOKZPZSA-N 2 2 353.470 2.493 40 0 FEABLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127970932 544024788 /nfs/dbraw/zinc/02/47/88/544024788.db2.gz OGQJLVLTOAQTRO-YJBOKZPZSA-N 2 2 353.470 2.493 40 0 FEABLP COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585261661 571125391 /nfs/dbraw/zinc/12/53/91/571125391.db2.gz NSKJOHLTRKAAQN-ZRNYENFQSA-N 2 2 360.429 2.174 40 0 FEABLP COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585261661 571125393 /nfs/dbraw/zinc/12/53/93/571125393.db2.gz NSKJOHLTRKAAQN-ZRNYENFQSA-N 2 2 360.429 2.174 40 0 FEABLP