smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218854862 398328891 /nfs/dbraw/zinc/32/88/91/398328891.db2.gz BVKHEYIEIBVHII-NEPJUHHUSA-N 2 1 248.326 1.775 40 0 BDABMP C[NH2+]Cc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000019367734 187251802 /nfs/dbraw/zinc/25/18/02/187251802.db2.gz IAMOTCGZNDFBJW-UHFFFAOYSA-N 2 1 247.386 1.544 40 0 BDABMP C[NH2+]Cc1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000019367734 187251803 /nfs/dbraw/zinc/25/18/03/187251803.db2.gz IAMOTCGZNDFBJW-UHFFFAOYSA-N 2 1 247.386 1.544 40 0 BDABMP C[NH2+]Cc1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000019367734 187251804 /nfs/dbraw/zinc/25/18/04/187251804.db2.gz IAMOTCGZNDFBJW-UHFFFAOYSA-N 2 1 247.386 1.544 40 0 BDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414555 343400746 /nfs/dbraw/zinc/40/07/46/343400746.db2.gz MIOJMQKGNXNBQY-HNNXBMFYSA-N 2 1 247.386 1.542 40 0 BDABMP CCOc1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])cc1 ZINC000396917049 343810766 /nfs/dbraw/zinc/81/07/66/343810766.db2.gz NYWKNSURPSLGEQ-NWDGAFQWSA-N 2 1 206.289 1.099 40 0 BDABMP C[N@H+](CCc1ccccn1)CC[C@H]1CCC[NH2+]C1 ZINC000051919411 259372162 /nfs/dbraw/zinc/37/21/62/259372162.db2.gz FPCCKTKTBHBPDX-CQSZACIVSA-N 2 1 247.386 1.946 40 0 BDABMP NNC(=[NH2+])SC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000585162726 344247511 /nfs/dbraw/zinc/24/75/11/344247511.db2.gz DRDOXVYPEAAFMZ-NXEZZACHSA-N 2 1 242.392 1.382 40 0 BDABMP [NH3+]CC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000038523919 181364429 /nfs/dbraw/zinc/36/44/29/181364429.db2.gz MXOAGBOBRDXXEO-UHFFFAOYSA-N 2 1 202.301 1.777 40 0 BDABMP C[N@H+](Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000036300558 383894046 /nfs/dbraw/zinc/89/40/46/383894046.db2.gz QONQRVDVMXRSOZ-UHFFFAOYSA-N 2 1 248.326 1.599 40 0 BDABMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000036300558 383894053 /nfs/dbraw/zinc/89/40/53/383894053.db2.gz QONQRVDVMXRSOZ-UHFFFAOYSA-N 2 1 248.326 1.599 40 0 BDABMP C[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](CCO)C1 ZINC000079414117 384135567 /nfs/dbraw/zinc/13/55/67/384135567.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](CCO)C1 ZINC000079414117 384135574 /nfs/dbraw/zinc/13/55/74/384135574.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000079414117 384135580 /nfs/dbraw/zinc/13/55/80/384135580.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 2 1 248.370 1.433 40 0 BDABMP C[N@@H+](Cc1ccccc1)C1CCN(CC[NH3+])CC1 ZINC000083318808 384291195 /nfs/dbraw/zinc/29/11/95/384291195.db2.gz NIJBQOCMFKLYQI-UHFFFAOYSA-N 2 1 247.386 1.542 40 0 BDABMP C[C@@H]1CCCC[N@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716832 384703929 /nfs/dbraw/zinc/70/39/29/384703929.db2.gz RLHFOWMKVDSTPV-SNVBAGLBSA-N 2 1 222.336 1.253 40 0 BDABMP [NH3+][C@@H]1C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000216407622 385055447 /nfs/dbraw/zinc/05/54/47/385055447.db2.gz HRHOQWHMSDKGIB-KGLIPLIRSA-N 2 1 216.328 2.000 40 0 BDABMP Cc1noc(C)c1CC[N@H+](C)CCC[NH3+] ZINC000096523781 385268055 /nfs/dbraw/zinc/26/80/55/385268055.db2.gz YTADEFQNANUMJL-UHFFFAOYSA-N 2 1 211.309 1.115 40 0 BDABMP Cc1noc(C)c1CC[N@@H+](C)CCC[NH3+] ZINC000096523781 385268060 /nfs/dbraw/zinc/26/80/60/385268060.db2.gz YTADEFQNANUMJL-UHFFFAOYSA-N 2 1 211.309 1.115 40 0 BDABMP CC[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043601163 388612713 /nfs/dbraw/zinc/61/27/13/388612713.db2.gz QHAFTBYARMJUPG-AWEZNQCLSA-N 2 1 239.407 1.404 40 0 BDABMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011888344 388711337 /nfs/dbraw/zinc/71/13/37/388711337.db2.gz YUZWLFIRLGSVNF-LBPRGKRZSA-N 2 1 222.307 1.996 40 0 BDABMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011888344 388711340 /nfs/dbraw/zinc/71/13/40/388711340.db2.gz YUZWLFIRLGSVNF-LBPRGKRZSA-N 2 1 222.307 1.996 40 0 BDABMP CCn1nc(C)c(C[N@H+](C)CCC[NH3+])c1C ZINC000096523789 172245871 /nfs/dbraw/zinc/24/58/71/172245871.db2.gz FPHBGRPWISSKJS-UHFFFAOYSA-N 2 1 224.352 1.300 40 0 BDABMP CCn1nc(C)c(C[N@@H+](C)CCC[NH3+])c1C ZINC000096523789 172245872 /nfs/dbraw/zinc/24/58/72/172245872.db2.gz FPHBGRPWISSKJS-UHFFFAOYSA-N 2 1 224.352 1.300 40 0 BDABMP C[N@H+]1CC[C@](O)(C[NH3+])c2cc(Cl)ccc2C1 ZINC000096510467 173162919 /nfs/dbraw/zinc/16/29/19/173162919.db2.gz UUVQAPQCALPMKU-LBPRGKRZSA-N 2 1 240.734 1.322 40 0 BDABMP COCC[N@@H+](CCCC[NH3+])Cc1cccs1 ZINC000096523764 174290587 /nfs/dbraw/zinc/29/05/87/174290587.db2.gz CCRYFFCVDYHNPI-UHFFFAOYSA-N 2 1 242.388 1.935 40 0 BDABMP COCCNc1ccc(C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000072386644 174341345 /nfs/dbraw/zinc/34/13/45/174341345.db2.gz HOPGJQRVJIPUPS-GFCCVEGCSA-N 2 1 249.358 1.682 40 0 BDABMP CCCC[N@@H+](C)C[C@@H]([NH3+])CCSC ZINC000039794811 349537114 /nfs/dbraw/zinc/53/71/14/349537114.db2.gz XYXCYZPHXHFOHR-JTQLQIEISA-N 2 1 204.383 1.799 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@@H](C(C)C)[NH+]1CCCC1 ZINC000072210499 259316719 /nfs/dbraw/zinc/31/67/19/259316719.db2.gz WZCJBBPBXGAPGC-NWDGAFQWSA-N 2 1 242.363 1.245 40 0 BDABMP CCOc1ccccc1C[NH2+]CCC[NH2+]C ZINC000008325588 342798016 /nfs/dbraw/zinc/79/80/16/342798016.db2.gz MQWLPAHBDUVXRF-UHFFFAOYSA-N 2 1 222.332 1.784 40 0 BDABMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH+]2C)C1 ZINC000252486988 259325959 /nfs/dbraw/zinc/32/59/59/259325959.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 2 1 226.364 1.173 40 0 BDABMP C[C@H](O)C[NH+]1CCC[C@H]([C@H]2CCC[N@@H+]2C)C1 ZINC000252486988 259325960 /nfs/dbraw/zinc/32/59/60/259325960.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 2 1 226.364 1.173 40 0 BDABMP C[C@H](O)C[NH+]1CCC[C@H]([C@H]2CCC[N@H+]2C)C1 ZINC000252486988 259325961 /nfs/dbraw/zinc/32/59/61/259325961.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 2 1 226.364 1.173 40 0 BDABMP Cc1ccc(NC[C@H]2CCC[NH2+]C2)[nH+]c1 ZINC000044503047 343504365 /nfs/dbraw/zinc/50/43/65/343504365.db2.gz OMSRMQRNAHADTC-NSHDSACASA-N 2 1 205.305 1.802 40 0 BDABMP CC(C)[N@@H+](CCN)C1CCC([NH+](C)C)CC1 ZINC000079406315 187944718 /nfs/dbraw/zinc/94/47/18/187944718.db2.gz YZOSLDGVSJWQGO-UHFFFAOYSA-N 2 1 227.396 1.528 40 0 BDABMP [NH3+]CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702337 181399185 /nfs/dbraw/zinc/39/91/85/181399185.db2.gz VPLOUQLMYCNBOS-CYBMUJFWSA-N 2 1 220.316 1.236 40 0 BDABMP C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000225607259 259541009 /nfs/dbraw/zinc/54/10/09/259541009.db2.gz VFJQQDKNVMXPLG-CMPLNLGQSA-N 2 1 208.280 1.430 40 0 BDABMP c1cc(C[NH2+]C2CC[NH2+]CC2)cc2c1OCO2 ZINC000038040656 183368632 /nfs/dbraw/zinc/36/86/32/183368632.db2.gz UMLDRXOHHCZZGP-UHFFFAOYSA-N 2 1 234.299 1.257 40 0 BDABMP CN(CC[NH3+])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393560 384132496 /nfs/dbraw/zinc/13/24/96/384132496.db2.gz HMTWBNWPPYHXGB-HNNXBMFYSA-N 2 1 247.386 1.399 40 0 BDABMP CC[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000252486509 384892410 /nfs/dbraw/zinc/89/24/10/384892410.db2.gz KKBBBUBRGOOPKF-MWLCHTKSSA-N 2 1 234.347 1.903 40 0 BDABMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000107745730 384997518 /nfs/dbraw/zinc/99/75/18/384997518.db2.gz RHPXRZWAHORCFY-RTCCRHLQSA-N 2 1 208.330 1.385 40 0 BDABMP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)c1 ZINC000107745749 384997607 /nfs/dbraw/zinc/99/76/07/384997607.db2.gz FCENSDPJCKIYCY-QDMKHBRRSA-N 2 1 230.355 1.940 40 0 BDABMP [NH3+]C[C@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000107745744 384998549 /nfs/dbraw/zinc/99/85/49/384998549.db2.gz CFGGBMREHKLJTB-CLLJXQQHSA-N 2 1 220.291 1.462 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@@](C)(CC)[NH+](CC)CC ZINC000072210431 385067685 /nfs/dbraw/zinc/06/76/85/385067685.db2.gz IXTGTFBYFGOFFI-WCQYABFASA-N 2 1 244.379 1.635 40 0 BDABMP C[NH+]1CCN(c2ncccc2C2=[NH+]CCC2)CC1 ZINC000072216563 385098090 /nfs/dbraw/zinc/09/80/90/385098090.db2.gz OFHHFTJEQJILLS-UHFFFAOYSA-N 2 1 244.342 1.416 40 0 BDABMP COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000216409195 385140812 /nfs/dbraw/zinc/14/08/12/385140812.db2.gz HKMUZIJDOFHNOP-WCQYABFASA-N 2 1 220.316 1.299 40 0 BDABMP CCn1cc(C[N@@H+](CC)CCCC[NH3+])c(C)n1 ZINC000096523768 385267822 /nfs/dbraw/zinc/26/78/22/385267822.db2.gz SXPVZWBGFHIWHG-UHFFFAOYSA-N 2 1 238.379 1.772 40 0 BDABMP Cc1ccc([C@H]2C[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000242687741 388400523 /nfs/dbraw/zinc/40/05/23/388400523.db2.gz UTTGTIYNDWGBEC-CHWSQXEVSA-N 2 1 204.317 1.599 40 0 BDABMP CCSc1ncc(C[NH2+]CCC[NH2+]C)cn1 ZINC000062718346 388655814 /nfs/dbraw/zinc/65/58/14/388655814.db2.gz WHOSUQDEZGTBHG-UHFFFAOYSA-N 2 1 240.376 1.288 40 0 BDABMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011888335 388710704 /nfs/dbraw/zinc/71/07/04/388710704.db2.gz OTPUDEQDIQZGOD-LLVKDONJSA-N 2 1 222.307 1.996 40 0 BDABMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011888335 388710708 /nfs/dbraw/zinc/71/07/08/388710708.db2.gz OTPUDEQDIQZGOD-LLVKDONJSA-N 2 1 222.307 1.996 40 0 BDABMP C[NH2+]CCC[NH2+]Cc1cccc(C)c1OC ZINC000095094943 173349845 /nfs/dbraw/zinc/34/98/45/173349845.db2.gz VJJLNGKRPJDLMY-UHFFFAOYSA-N 2 1 222.332 1.703 40 0 BDABMP Cc1cc(F)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000067802669 178076459 /nfs/dbraw/zinc/07/64/59/178076459.db2.gz OWTXWFIALRSZRT-UHFFFAOYSA-N 2 1 222.307 1.976 40 0 BDABMP Cc1cc(N(C)C)cc([C@@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000072386357 178095395 /nfs/dbraw/zinc/09/53/95/178095395.db2.gz ZGYUSKAEGQDCLW-LLVKDONJSA-N 2 1 219.332 1.875 40 0 BDABMP C[N@H+](CCc1ccccn1)CCC1CC[NH2+]CC1 ZINC000038076082 343654874 /nfs/dbraw/zinc/65/48/74/343654874.db2.gz CLLMAUXJHMPAAR-UHFFFAOYSA-N 2 1 247.386 1.946 40 0 BDABMP C[N@@H+]1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072343644 187276349 /nfs/dbraw/zinc/27/63/49/187276349.db2.gz XCJWQFPPLRMKPF-CQSZACIVSA-N 2 1 234.343 1.354 40 0 BDABMP C[N@H+]1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072343644 187276351 /nfs/dbraw/zinc/27/63/51/187276351.db2.gz XCJWQFPPLRMKPF-CQSZACIVSA-N 2 1 234.343 1.354 40 0 BDABMP Cc1cc(N(C)C)cc(C2CC[NH2+]CC2)[nH+]1 ZINC000205684321 348575346 /nfs/dbraw/zinc/57/53/46/348575346.db2.gz OXUOEKFAAJVXEQ-UHFFFAOYSA-N 2 1 219.332 1.923 40 0 BDABMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(C)COC2)CC1 ZINC000429531330 201112719 /nfs/dbraw/zinc/11/27/19/201112719.db2.gz RIAQFVBCUFZUSM-GFCCVEGCSA-N 2 1 226.364 1.439 40 0 BDABMP [NH3+]CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000096523634 181364779 /nfs/dbraw/zinc/36/47/79/181364779.db2.gz FBHOSMFLAKXJEB-UHFFFAOYSA-N 2 1 239.407 1.533 40 0 BDABMP [NH3+][C@H]1C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000076645998 384233503 /nfs/dbraw/zinc/23/35/03/384233503.db2.gz HRHOQWHMSDKGIB-KBPBESRZSA-N 2 1 216.328 2.000 40 0 BDABMP c1cncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000082546185 384307999 /nfs/dbraw/zinc/30/79/99/384307999.db2.gz YWWQUBWDNCVHST-UHFFFAOYSA-N 2 1 231.343 1.657 40 0 BDABMP C[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216328 385094834 /nfs/dbraw/zinc/09/48/34/385094834.db2.gz UHUYXOXQPORYMN-ZDUSSCGKSA-N 2 1 246.358 1.258 40 0 BDABMP Cc1nn(C)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000096523737 385266942 /nfs/dbraw/zinc/26/69/42/385266942.db2.gz ARPLQCLUNCBOJH-UHFFFAOYSA-N 2 1 238.379 1.679 40 0 BDABMP CSCC[C@@H]([NH3+])C[NH+]1CCC(C)CC1 ZINC000096523860 385267156 /nfs/dbraw/zinc/26/71/56/385267156.db2.gz JOVUEJYZHBTTQW-LLVKDONJSA-N 2 1 216.394 1.799 40 0 BDABMP C[C@@H]([NH3+])CC[N@H+]1CCc2ccccc2C1 ZINC000037401867 385642237 /nfs/dbraw/zinc/64/22/37/385642237.db2.gz BNCZXIZSYAGCLA-LLVKDONJSA-N 2 1 204.317 1.782 40 0 BDABMP c1csc(C[NH2+]C[C@H]2CCc3[nH+]ccn32)n1 ZINC000306144403 385991590 /nfs/dbraw/zinc/99/15/90/385991590.db2.gz ZEHZGZIBEODUOY-SECBINFHSA-N 2 1 234.328 1.617 40 0 BDABMP CC(C)(C)OC(=O)[C@H]([NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000088247613 386947022 /nfs/dbraw/zinc/94/70/22/386947022.db2.gz HXRMBJYKFKADGB-VHSXEESVSA-N 2 1 228.336 1.045 40 0 BDABMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000132238424 388357556 /nfs/dbraw/zinc/35/75/56/388357556.db2.gz YWOUFBRDUWRXKT-WDEREUQCSA-N 2 1 212.337 1.095 40 0 BDABMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000011888337 388710935 /nfs/dbraw/zinc/71/09/35/388710935.db2.gz VMGWGONMSQMCKW-LBPRGKRZSA-N 2 1 222.307 1.996 40 0 BDABMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000011888337 388710938 /nfs/dbraw/zinc/71/09/38/388710938.db2.gz VMGWGONMSQMCKW-LBPRGKRZSA-N 2 1 222.307 1.996 40 0 BDABMP C[NH+]1CCC[C@H]1CC(O)C[C@@H]1CCC[N@@H+]1C ZINC000015043520 173049478 /nfs/dbraw/zinc/04/94/78/173049478.db2.gz UOJNOOLFFFFKNA-RYUDHWBXSA-N 2 1 226.364 1.316 40 0 in-vitro BDABMP C[N@H+]1CC[C@@](O)(C[NH3+])c2cc(Cl)ccc2C1 ZINC000096510468 173136816 /nfs/dbraw/zinc/13/68/16/173136816.db2.gz UUVQAPQCALPMKU-GFCCVEGCSA-N 2 1 240.734 1.322 40 0 BDABMP CC(C)[N@@H+](C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000247988538 519632103 /nfs/dbraw/zinc/63/21/03/519632103.db2.gz JTCDTDLLVHAHFF-HAQNSBGRSA-N 2 1 214.353 1.220 40 0 BDABMP Cc1ccccc1C[N@H+]1C[C@@H]2C[C@]2(C[NH3+])C1 ZINC000096509110 343755034 /nfs/dbraw/zinc/75/50/34/343755034.db2.gz JPMMLTFQAWZREU-KBPBESRZSA-N 2 1 216.328 1.776 40 0 BDABMP CC(C)[NH+]1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051919040 187357437 /nfs/dbraw/zinc/35/74/37/187357437.db2.gz JUJAOJHPGBFSSZ-CQSZACIVSA-N 2 1 239.407 1.402 40 0 BDABMP CCOc1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC000396917048 359881533 /nfs/dbraw/zinc/88/15/33/359881533.db2.gz NYWKNSURPSLGEQ-NEPJUHHUSA-N 2 1 206.289 1.099 40 0 BDABMP [NH3+]CCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390677 181399328 /nfs/dbraw/zinc/39/93/28/181399328.db2.gz WDWMGBAELVWZKR-CQSZACIVSA-N 2 1 234.343 1.626 40 0 BDABMP NNC(=[NH2+])SC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000020459199 371284837 /nfs/dbraw/zinc/28/48/37/371284837.db2.gz DRDOXVYPEAAFMZ-ZJUUUORDSA-N 2 1 242.392 1.382 40 0 BDABMP CCCC[N@@H+](CC)C[C@H](O)C[NH2+]C1CC1 ZINC000034978515 384009536 /nfs/dbraw/zinc/00/95/36/384009536.db2.gz HFRCFHDXTUFJHP-GFCCVEGCSA-N 2 1 214.353 1.221 40 0 BDABMP CN(CC[NH3+])C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393559 384133886 /nfs/dbraw/zinc/13/38/86/384133886.db2.gz MQWADTJLUBHZJT-OAHLLOKOSA-N 2 1 247.386 1.542 40 0 BDABMP OCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393480 384132214 /nfs/dbraw/zinc/13/22/14/384132214.db2.gz FRALCQXAZQYWSC-OAHLLOKOSA-N 2 1 248.370 1.481 40 0 BDABMP CC(C)[N@@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178518 384279059 /nfs/dbraw/zinc/27/90/59/384279059.db2.gz YZOSLDGVSJWQGO-BETUJISGSA-N 2 1 227.396 1.528 40 0 BDABMP Cn1ncc(C[NH3+])c1C[N@@H+](C)C1CCCCC1 ZINC000408715793 384701427 /nfs/dbraw/zinc/70/14/27/384701427.db2.gz DTMBTWVKGBMXEQ-UHFFFAOYSA-N 2 1 236.363 1.643 40 0 BDABMP C[C@H]1CCCC[N@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716831 384704930 /nfs/dbraw/zinc/70/49/30/384704930.db2.gz RLHFOWMKVDSTPV-JTQLQIEISA-N 2 1 222.336 1.253 40 0 BDABMP Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)cc1 ZINC000107745739 384996728 /nfs/dbraw/zinc/99/67/28/384996728.db2.gz AJIBZSLAFUCEHU-BTTYYORXSA-N 2 1 216.328 1.632 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])C(C)(C)[NH+]1CCCCC1 ZINC000072210411 385067802 /nfs/dbraw/zinc/06/78/02/385067802.db2.gz CXMCKQVVDZAKDK-NSHDSACASA-N 2 1 242.363 1.389 40 0 BDABMP C[N@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216268 385093603 /nfs/dbraw/zinc/09/36/03/385093603.db2.gz UJMFGEGRNLZGBF-ZDUSSCGKSA-N 2 1 246.358 1.258 40 0 BDABMP [NH3+]Cc1ccccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000238856168 386536888 /nfs/dbraw/zinc/53/68/88/386536888.db2.gz VEXQRCFMXSEIPC-ZDUSSCGKSA-N 2 1 231.343 1.430 40 0 BDABMP CN1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000242548014 388399654 /nfs/dbraw/zinc/39/96/54/388399654.db2.gz KYWJTCUABCJGMW-CYBMUJFWSA-N 2 1 225.380 1.014 40 0 BDABMP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000011888341 388710867 /nfs/dbraw/zinc/71/08/67/388710867.db2.gz VMGWGONMSQMCKW-GFCCVEGCSA-N 2 1 222.307 1.996 40 0 BDABMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000011888341 388710870 /nfs/dbraw/zinc/71/08/70/388710870.db2.gz VMGWGONMSQMCKW-GFCCVEGCSA-N 2 1 222.307 1.996 40 0 BDABMP CN1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918916 173014058 /nfs/dbraw/zinc/01/40/58/173014058.db2.gz KYWJTCUABCJGMW-ZDUSSCGKSA-N 2 1 225.380 1.014 40 0 BDABMP C[N@H+]1CCC[NH2+]CCCSCCC1 ZINC000068604479 173019419 /nfs/dbraw/zinc/01/94/19/173019419.db2.gz HSIIRPVBYZDPHT-UHFFFAOYSA-N 2 1 202.367 1.425 40 0 BDABMP C1=CC2(CC[NH2+]CC2)CC[C@@H]1[NH+]1CCOCC1 ZINC000096240268 187288469 /nfs/dbraw/zinc/28/84/69/187288469.db2.gz IFUDTPWKCXRDOX-CYBMUJFWSA-N 2 1 236.359 1.407 40 0 BDABMP C(C1CCCC1)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096049036 187288641 /nfs/dbraw/zinc/28/86/41/187288641.db2.gz ZUAYPYNRKUPFHA-CQSZACIVSA-N 2 1 238.375 1.631 40 0 BDABMP C(C1CCCC1)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096049036 187288643 /nfs/dbraw/zinc/28/86/43/187288643.db2.gz ZUAYPYNRKUPFHA-CQSZACIVSA-N 2 1 238.375 1.631 40 0 BDABMP C(C1CCCCC1)[N@@H+]1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096081385 187289035 /nfs/dbraw/zinc/28/90/35/187289035.db2.gz UTIYEFQVIWISQD-OLZOCXBDSA-N 2 1 208.349 1.860 40 0 BDABMP C(C1CCCCC1)[N@H+]1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096081385 187289036 /nfs/dbraw/zinc/28/90/36/187289036.db2.gz UTIYEFQVIWISQD-OLZOCXBDSA-N 2 1 208.349 1.860 40 0 BDABMP Cc1cccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)c1 ZINC000000269202 345812638 /nfs/dbraw/zinc/81/26/38/345812638.db2.gz FTOZHDVIBQNOEF-UHFFFAOYSA-N 2 1 231.303 1.417 40 0 BDABMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225607304 259540973 /nfs/dbraw/zinc/54/09/73/259540973.db2.gz WZBGXWRNEQOOCJ-ZYHUDNBSSA-N 2 1 224.735 1.944 40 0 BDABMP C[NH+](C)C1CCC([N@@H+](CCN)C2CC2)CC1 ZINC000079406386 384136467 /nfs/dbraw/zinc/13/64/67/384136467.db2.gz NLGHULVJSHLZHJ-UHFFFAOYSA-N 2 1 225.380 1.282 40 0 BDABMP C[NH+](C)C1CCC(N(CC[NH3+])C2CC2)CC1 ZINC000079406386 384136470 /nfs/dbraw/zinc/13/64/70/384136470.db2.gz NLGHULVJSHLZHJ-UHFFFAOYSA-N 2 1 225.380 1.282 40 0 BDABMP [NH3+][C@@H]1CCO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096510434 385250185 /nfs/dbraw/zinc/25/01/85/385250185.db2.gz RAIBDTZTWBNGRW-CABCVRRESA-N 2 1 246.354 1.769 40 0 BDABMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccncc1 ZINC000096523803 385266745 /nfs/dbraw/zinc/26/67/45/385266745.db2.gz SJQAOXUODUHFOW-AWEZNQCLSA-N 2 1 235.375 1.929 40 0 BDABMP c1nc(NC[C@H]2CCCC[NH2+]2)cc(NC2CC2)[nH+]1 ZINC000079439587 388695886 /nfs/dbraw/zinc/69/58/86/388695886.db2.gz XYSKXQJGZHXKNQ-LLVKDONJSA-N 2 1 247.346 1.605 40 0 BDABMP C[NH2+]C[C@H]1C[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000096509388 173382960 /nfs/dbraw/zinc/38/29/60/173382960.db2.gz GGQRXWZCRLVXAI-CABCVRRESA-N 2 1 230.355 1.900 40 0 BDABMP COCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953219 174275281 /nfs/dbraw/zinc/27/52/81/174275281.db2.gz DBFKYYJTCHCDRN-UHFFFAOYSA-N 2 1 214.353 1.344 40 0 BDABMP CC(C)[N@@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000248061429 519646397 /nfs/dbraw/zinc/64/63/97/519646397.db2.gz YZOSLDGVSJWQGO-JOCQHMNTSA-N 2 1 227.396 1.528 40 0 BDABMP CC(C)[N@@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242463455 519649415 /nfs/dbraw/zinc/64/94/15/519649415.db2.gz DBMZECQYIOLMJZ-JOCQHMNTSA-N 2 1 228.380 1.562 40 0 BDABMP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1F ZINC000049577565 343603077 /nfs/dbraw/zinc/60/30/77/343603077.db2.gz ALGZLYFNXMUGKU-UHFFFAOYSA-N 2 1 226.270 1.806 40 0 BDABMP [NH3+]CC(F)(C[NH3+])Cc1cccc(Cl)c1 ZINC000585142197 343876920 /nfs/dbraw/zinc/87/69/20/343876920.db2.gz JLXDLVICENJKBE-UHFFFAOYSA-N 2 1 216.687 1.508 40 0 BDABMP C[N@@H+]1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112994 344137215 /nfs/dbraw/zinc/13/72/15/344137215.db2.gz ZOVOAWKHNZSQPQ-ZDUSSCGKSA-N 2 1 234.347 1.356 40 0 BDABMP Cc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH3+])C1 ZINC000216531120 179277338 /nfs/dbraw/zinc/27/73/38/179277338.db2.gz JPMMLTFQAWZREU-ZIAGYGMSSA-N 2 1 216.328 1.776 40 0 BDABMP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072348377 180230628 /nfs/dbraw/zinc/23/06/28/180230628.db2.gz IUFACSBXNGWJAL-NSHDSACASA-N 2 1 243.314 1.438 40 0 BDABMP Cc1nn(C)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000096523716 180372144 /nfs/dbraw/zinc/37/21/44/180372144.db2.gz XSZFMKDGOVOAIX-UHFFFAOYSA-N 2 1 236.363 1.160 40 0 BDABMP Cc1ccc(NC[C@@H]2CCC[NH2+]C2)[nH+]c1 ZINC000044503045 352341855 /nfs/dbraw/zinc/34/18/55/352341855.db2.gz OMSRMQRNAHADTC-LLVKDONJSA-N 2 1 205.305 1.802 40 0 BDABMP [NH3+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000020521661 181344891 /nfs/dbraw/zinc/34/48/91/181344891.db2.gz AMGFIJVPWRHZFG-UHFFFAOYSA-N 2 1 206.289 1.315 40 0 BDABMP C[N@@H+](CCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393490 384133003 /nfs/dbraw/zinc/13/30/03/384133003.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](CCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393490 384133008 /nfs/dbraw/zinc/13/30/08/384133008.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](CCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393490 384133016 /nfs/dbraw/zinc/13/30/16/384133016.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 2 1 248.370 1.433 40 0 BDABMP C[C@H](NCC[NH+](C)C)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000019365137 384516441 /nfs/dbraw/zinc/51/64/41/384516441.db2.gz ZLWXLJFFWVRCEU-IHRRRGAJSA-N 2 1 239.407 1.401 40 0 BDABMP C[C@H]([NH2+]CCN(C)C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000019365137 384516443 /nfs/dbraw/zinc/51/64/43/384516443.db2.gz ZLWXLJFFWVRCEU-IHRRRGAJSA-N 2 1 239.407 1.401 40 0 BDABMP C[C@H]([NH2+]CCN(C)C)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000019365137 384516445 /nfs/dbraw/zinc/51/64/45/384516445.db2.gz ZLWXLJFFWVRCEU-IHRRRGAJSA-N 2 1 239.407 1.401 40 0 BDABMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH+]2C)C1 ZINC000095097501 385434553 /nfs/dbraw/zinc/43/45/53/385434553.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 2 1 226.364 1.173 40 0 BDABMP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH3+])C2)cc1 ZINC000216531013 385867229 /nfs/dbraw/zinc/86/72/29/385867229.db2.gz KLKXQMSUZMOTNO-ZIAGYGMSSA-N 2 1 216.328 1.776 40 0 BDABMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC000247634475 386726625 /nfs/dbraw/zinc/72/66/25/386726625.db2.gz DADZZUVKEHQCEL-XYYAHUGASA-N 2 1 236.746 1.977 40 0 BDABMP C[N@@H+](CCCCC[NH3+])CCc1ccncc1 ZINC000049580744 386797542 /nfs/dbraw/zinc/79/75/42/386797542.db2.gz QITRDDQMNJELMK-UHFFFAOYSA-N 2 1 221.348 1.685 40 0 BDABMP [NH3+]Cc1ccccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000020352340 132331500 /nfs/dbraw/zinc/33/15/00/132331500.db2.gz VEXQRCFMXSEIPC-CYBMUJFWSA-N 2 1 231.343 1.430 40 0 BDABMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000238333000 173148349 /nfs/dbraw/zinc/14/83/49/173148349.db2.gz DPPPALZSPFEMNV-STQMWFEESA-N 2 1 204.317 1.508 40 0 BDABMP COc1ccc2c(c1)[C@H]([NH3+])CC[N@@H+](C)C2 ZINC000096509719 175215910 /nfs/dbraw/zinc/21/59/10/175215910.db2.gz AOPHWVIXVXBXFU-GFCCVEGCSA-N 2 1 206.289 1.531 40 0 BDABMP COc1ccc2c(c1)[C@H]([NH3+])CC[N@H+](C)C2 ZINC000096509719 175215912 /nfs/dbraw/zinc/21/59/12/175215912.db2.gz AOPHWVIXVXBXFU-GFCCVEGCSA-N 2 1 206.289 1.531 40 0 BDABMP CC(C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000242574985 519632537 /nfs/dbraw/zinc/63/25/37/519632537.db2.gz NNXHCQLIIHFSJI-SRVKXCTJSA-N 2 1 241.379 1.101 40 0 BDABMP Cc1cc(N(C)C)cc([C@H]2CCC[N@@H+]2CCO)[nH+]1 ZINC000072356893 178094651 /nfs/dbraw/zinc/09/46/51/178094651.db2.gz RNQYJAVKFRERBE-CQSZACIVSA-N 2 1 249.358 1.585 40 0 BDABMP Cc1cc(N(C)C)cc([C@H]2CCC[N@H+]2CCO)[nH+]1 ZINC000072356893 178094653 /nfs/dbraw/zinc/09/46/53/178094653.db2.gz RNQYJAVKFRERBE-CQSZACIVSA-N 2 1 249.358 1.585 40 0 BDABMP Cc1cc(N(C)C)cc([C@@H]2CCC[N@@H+]2CCO)[nH+]1 ZINC000072356892 178095407 /nfs/dbraw/zinc/09/54/07/178095407.db2.gz RNQYJAVKFRERBE-AWEZNQCLSA-N 2 1 249.358 1.585 40 0 BDABMP Cc1cc(N(C)C)cc([C@@H]2CCC[N@H+]2CCO)[nH+]1 ZINC000072356892 178095408 /nfs/dbraw/zinc/09/54/08/178095408.db2.gz RNQYJAVKFRERBE-AWEZNQCLSA-N 2 1 249.358 1.585 40 0 BDABMP CCN(CC)Cc1nc([C@@H](N)C(C)C)no1 ZINC000070453696 259313860 /nfs/dbraw/zinc/31/38/60/259313860.db2.gz GAUIVOCASWXRMS-JTQLQIEISA-N 2 1 226.324 1.567 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@@H](C(C)C)[NH+](CC)CC ZINC000072210496 259316955 /nfs/dbraw/zinc/31/69/55/259316955.db2.gz GBNKWVMMVXFDQT-VXGBXAGGSA-N 2 1 244.379 1.491 40 0 BDABMP [NH3+]CC(F)(C[NH3+])Cc1ccccc1Cl ZINC000585142218 343877006 /nfs/dbraw/zinc/87/70/06/343877006.db2.gz LKFCESUGNSHADP-UHFFFAOYSA-N 2 1 216.687 1.508 40 0 BDABMP C[C@H]([NH3+])CC[N@H+]1CCc2ccccc2C1 ZINC000037401864 348421629 /nfs/dbraw/zinc/42/16/29/348421629.db2.gz BNCZXIZSYAGCLA-NSHDSACASA-N 2 1 204.317 1.782 40 0 BDABMP C[N@H+](CCc1ccncc1)CCC1CC[NH2+]CC1 ZINC000038076099 350304653 /nfs/dbraw/zinc/30/46/53/350304653.db2.gz FUYVVEZOKAPUIL-UHFFFAOYSA-N 2 1 247.386 1.946 40 0 BDABMP Fc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000072202949 181013218 /nfs/dbraw/zinc/01/32/18/181013218.db2.gz BTNKVAVEWGEGDH-NSHDSACASA-N 2 1 222.307 1.915 40 0 BDABMP [NH3+]CCOC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079390669 181398866 /nfs/dbraw/zinc/39/88/66/181398866.db2.gz WNSDLNDPFRDRNS-CQSZACIVSA-N 2 1 234.343 1.626 40 0 BDABMP [NH3+]CCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702336 181399415 /nfs/dbraw/zinc/39/94/15/181399415.db2.gz VPLOUQLMYCNBOS-ZDUSSCGKSA-N 2 1 220.316 1.236 40 0 BDABMP CC(C)CC[N@H+]1C[C@@H]2C[NH2+][C@H](C)[C@@H](C2)C1 ZINC000095093777 371249111 /nfs/dbraw/zinc/24/91/11/371249111.db2.gz ASNWQCZZCXAZLN-AGIUHOORSA-N 2 1 210.365 1.962 40 0 BDABMP CCCN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000020073767 169202411 /nfs/dbraw/zinc/20/24/11/169202411.db2.gz IZDRHXHIFNCSOV-UHFFFAOYSA-N 2 1 227.396 1.533 40 0 BDABMP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+] ZINC000079414469 384135735 /nfs/dbraw/zinc/13/57/35/384135735.db2.gz NNVVZNJLUYXBRE-HNNXBMFYSA-N 2 1 247.386 1.542 40 0 BDABMP C[NH+](C)[C@H]1CC[C@H]([N@@H+](CCO)C2CC2)CC1 ZINC000100178226 384282696 /nfs/dbraw/zinc/28/26/96/384282696.db2.gz RWMPQWMWNWVMTC-TXEJJXNPSA-N 2 1 226.364 1.316 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])C(C)(C)[NH+](CC)CC ZINC000072210407 385067859 /nfs/dbraw/zinc/06/78/59/385067859.db2.gz IUKPPKDNBJULLZ-SNVBAGLBSA-N 2 1 230.352 1.245 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])C(C)(C)[NH+]1CCCCC1 ZINC000072210410 385068237 /nfs/dbraw/zinc/06/82/37/385068237.db2.gz CXMCKQVVDZAKDK-LLVKDONJSA-N 2 1 242.363 1.389 40 0 BDABMP CC(C)CC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531579 385282610 /nfs/dbraw/zinc/28/26/10/385282610.db2.gz HKZTXNXVXLPTNM-UHFFFAOYSA-N 2 1 226.364 1.487 40 0 BDABMP [NH3+]CCn1cc(NC2=[NH+]CCCCC2)cn1 ZINC000217813268 388381471 /nfs/dbraw/zinc/38/14/71/388381471.db2.gz RJODCUBRNFAFHM-UHFFFAOYSA-N 2 1 221.308 1.226 40 0 BDABMP C[C@@H](NCC[NH+](C)C)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863015 397976525 /nfs/dbraw/zinc/97/65/25/397976525.db2.gz ZLWXLJFFWVRCEU-RDBSUJKOSA-N 2 1 239.407 1.401 40 0 BDABMP CC(C)n1nc(C[NH+](C)C)c2c1C[NH2+]CC2 ZINC000306128052 411509009 /nfs/dbraw/zinc/50/90/09/411509009.db2.gz GOTGQYDUCFPOLK-UHFFFAOYSA-N 2 1 222.336 1.171 40 0 BDABMP CCn1cc(C[NH2+]CC[NH3+])c2ccccc21 ZINC000095094947 172169745 /nfs/dbraw/zinc/16/97/45/172169745.db2.gz FHRCYLDBRNAFMG-UHFFFAOYSA-N 2 1 217.316 1.710 40 0 BDABMP C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000082945367 173183938 /nfs/dbraw/zinc/18/39/38/173183938.db2.gz VFJQQDKNVMXPLG-PWSUYJOCSA-N 2 1 208.280 1.430 40 0 BDABMP COCCNc1cc[nH+]c(C2CC[NH2+]CC2)c1 ZINC000072386640 174341470 /nfs/dbraw/zinc/34/14/70/174341470.db2.gz OKIBVZXVYCEWDZ-UHFFFAOYSA-N 2 1 235.331 1.607 40 0 BDABMP Cc1cc(NC2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000037756879 178154640 /nfs/dbraw/zinc/15/46/40/178154640.db2.gz AKNOBZMUGJIHKW-UHFFFAOYSA-N 2 1 206.293 1.257 40 0 BDABMP [NH3+][C@H](CC[NH+]1CCCCC1)CN1CCCCC1 ZINC000022026884 343037115 /nfs/dbraw/zinc/03/71/15/343037115.db2.gz NTCMQIAVHJSZET-CQSZACIVSA-N 2 1 239.407 1.676 40 0 BDABMP CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419455 187263572 /nfs/dbraw/zinc/26/35/72/187263572.db2.gz SJWCBRSIHPELSO-TUAOUCFPSA-N 2 1 241.379 1.101 40 0 BDABMP C[NH+]1CCCSCCC[N@H+](C)CCC1 ZINC000068604656 187275271 /nfs/dbraw/zinc/27/52/71/187275271.db2.gz PQQWBTWMXODBJY-UHFFFAOYSA-N 2 1 216.394 1.767 40 0 BDABMP C1CC1[N@@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000393783356 343810372 /nfs/dbraw/zinc/81/03/72/343810372.db2.gz RMAWCFGSCHOVAQ-GFCCVEGCSA-N 2 1 226.389 1.708 40 0 BDABMP C1CC1[N@@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000393783358 343810513 /nfs/dbraw/zinc/81/05/13/343810513.db2.gz RMAWCFGSCHOVAQ-LBPRGKRZSA-N 2 1 226.389 1.708 40 0 BDABMP CCOc1ccccc1[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC000396828552 343810757 /nfs/dbraw/zinc/81/07/57/343810757.db2.gz OXGKTTPGTUEUOF-MNOVXSKESA-N 2 1 206.289 1.099 40 0 BDABMP CN1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918875 259372620 /nfs/dbraw/zinc/37/26/20/259372620.db2.gz BAQISSFLFFFDPD-ZDUSSCGKSA-N 2 1 239.407 1.402 40 0 BDABMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000051918875 259372621 /nfs/dbraw/zinc/37/26/21/259372621.db2.gz BAQISSFLFFFDPD-ZDUSSCGKSA-N 3 1 239.407 1.402 40 0 BDABMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000051918875 259372622 /nfs/dbraw/zinc/37/26/22/259372622.db2.gz BAQISSFLFFFDPD-ZDUSSCGKSA-N 3 1 239.407 1.402 40 0 BDABMP Fc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000072202948 181012606 /nfs/dbraw/zinc/01/26/06/181012606.db2.gz BTNKVAVEWGEGDH-LLVKDONJSA-N 2 1 222.307 1.915 40 0 BDABMP [NH3+][C@H]1CCO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000110751570 181653034 /nfs/dbraw/zinc/65/30/34/181653034.db2.gz RAIBDTZTWBNGRW-GJZGRUSLSA-N 2 1 246.354 1.769 40 0 BDABMP c1cc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)co1 ZINC000306140483 183344793 /nfs/dbraw/zinc/34/47/93/183344793.db2.gz UUSJJLXTCBTDKB-UHFFFAOYSA-N 2 1 236.315 1.234 40 0 BDABMP c1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)co1 ZINC000306140483 183344794 /nfs/dbraw/zinc/34/47/94/183344794.db2.gz UUSJJLXTCBTDKB-UHFFFAOYSA-N 2 1 236.315 1.234 40 0 BDABMP OCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264453 383862596 /nfs/dbraw/zinc/86/25/96/383862596.db2.gz OLMHHSBJCGAUHX-CQSZACIVSA-N 2 1 234.343 1.090 40 0 BDABMP [NH3+][C@H]1CC[C@@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC000100468706 384327399 /nfs/dbraw/zinc/32/73/99/384327399.db2.gz LBYALFWGJOLWMN-HDJSIYSDSA-N 2 1 237.391 1.284 40 0 BDABMP C[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CC1)CC2 ZINC000096196816 384443736 /nfs/dbraw/zinc/44/37/36/384443736.db2.gz IFGNWEIUEKYSQS-UHFFFAOYSA-N 2 1 248.374 1.213 40 0 BDABMP C[NH+](C)Cc1cnc2n1CC[N@H+](CC1CC1)CC2 ZINC000096196816 384443740 /nfs/dbraw/zinc/44/37/40/384443740.db2.gz IFGNWEIUEKYSQS-UHFFFAOYSA-N 2 1 248.374 1.213 40 0 BDABMP C[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216267 385093175 /nfs/dbraw/zinc/09/31/75/385093175.db2.gz UJMFGEGRNLZGBF-CYBMUJFWSA-N 2 1 246.358 1.258 40 0 BDABMP CC(C)(C)OC(=O)[C@@H]([NH3+])C[C@H]1CCC[NH2+]C1 ZINC000088247620 386947202 /nfs/dbraw/zinc/94/72/02/386947202.db2.gz HXRMBJYKFKADGB-ZJUUUORDSA-N 2 1 228.336 1.045 40 0 BDABMP CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004129037 387562510 /nfs/dbraw/zinc/56/25/10/387562510.db2.gz DIQREXVGAWIWBR-FIQHERPVSA-N 2 1 214.353 1.076 40 0 BDABMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000132238818 388357757 /nfs/dbraw/zinc/35/77/57/388357757.db2.gz YWOUFBRDUWRXKT-QWRGUYRKSA-N 2 1 212.337 1.095 40 0 BDABMP C[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242750663 388400402 /nfs/dbraw/zinc/40/04/02/388400402.db2.gz ZVFZUUAVIAYGQA-PSASIEDQSA-N 2 1 220.320 1.513 40 0 BDABMP CC(C)[N@@H+](C)Cc1cnc2n1CCN[C@@H]2C ZINC000107491731 388616654 /nfs/dbraw/zinc/61/66/54/388616654.db2.gz MGTIVKYUTVTQBE-SNVBAGLBSA-N 2 1 222.336 1.388 40 0 BDABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH2+][C@@H]2C ZINC000107491731 388616660 /nfs/dbraw/zinc/61/66/60/388616660.db2.gz MGTIVKYUTVTQBE-SNVBAGLBSA-N 2 1 222.336 1.388 40 0 BDABMP COc1ccc([C@H]2C[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000242498625 388837724 /nfs/dbraw/zinc/83/77/24/388837724.db2.gz HKMUZIJDOFHNOP-DGCLKSJQSA-N 2 1 220.316 1.299 40 0 BDABMP CN1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918877 398065033 /nfs/dbraw/zinc/06/50/33/398065033.db2.gz BAQISSFLFFFDPD-CYBMUJFWSA-N 2 1 239.407 1.402 40 0 BDABMP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000051918877 398065037 /nfs/dbraw/zinc/06/50/37/398065037.db2.gz BAQISSFLFFFDPD-CYBMUJFWSA-N 3 1 239.407 1.402 40 0 BDABMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000051918877 398065043 /nfs/dbraw/zinc/06/50/43/398065043.db2.gz BAQISSFLFFFDPD-CYBMUJFWSA-N 3 1 239.407 1.402 40 0 BDABMP C[NH+]1CCC[C@@H]1CC(O)C[C@H]1CCC[N@@H+]1C ZINC000096030765 173029001 /nfs/dbraw/zinc/02/90/01/173029001.db2.gz UOJNOOLFFFFKNA-VXGBXAGGSA-N 2 1 226.364 1.316 40 0 BDABMP C[N@@H+]1CC[NH2+]C[C@H](COCc2ccccc2)C1 ZINC000072343643 173096776 /nfs/dbraw/zinc/09/67/76/173096776.db2.gz XCJWQFPPLRMKPF-AWEZNQCLSA-N 2 1 234.343 1.354 40 0 BDABMP C[N@H+]1CC[NH2+]C[C@H](COCc2ccccc2)C1 ZINC000072343643 173096778 /nfs/dbraw/zinc/09/67/78/173096778.db2.gz XCJWQFPPLRMKPF-AWEZNQCLSA-N 2 1 234.343 1.354 40 0 BDABMP COCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC000096075272 174228421 /nfs/dbraw/zinc/22/84/21/174228421.db2.gz NMRZGFURIZJGML-UHFFFAOYSA-N 2 1 212.337 1.241 40 0 BDABMP C[C@H](c1ccccn1)[N@H+](C)C1CC[NH2+]CC1 ZINC000072203885 177042380 /nfs/dbraw/zinc/04/23/80/177042380.db2.gz QDRDELKPSKFSBU-LLVKDONJSA-N 2 1 219.332 1.826 40 0 BDABMP C[C@H](c1ccccn1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000072203885 177042381 /nfs/dbraw/zinc/04/23/81/177042381.db2.gz QDRDELKPSKFSBU-LLVKDONJSA-N 2 1 219.332 1.826 40 0 BDABMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000026895813 177266073 /nfs/dbraw/zinc/26/60/73/177266073.db2.gz GLFBPDDMMVIVQJ-AAEUAGOBSA-N 2 1 204.317 1.713 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@H](C(C)C)[NH+](CC)CC ZINC000072210495 259316684 /nfs/dbraw/zinc/31/66/84/259316684.db2.gz GBNKWVMMVXFDQT-NEPJUHHUSA-N 2 1 244.379 1.491 40 0 BDABMP COCCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000584905918 343605615 /nfs/dbraw/zinc/60/56/15/343605615.db2.gz QLNBCBNCHNBBKX-KBPBESRZSA-N 2 1 240.391 1.877 40 0 BDABMP CCC[NH+]1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918823 259372682 /nfs/dbraw/zinc/37/26/82/259372682.db2.gz JXZNNISLWDGZRL-AWEZNQCLSA-N 2 1 239.407 1.404 40 0 BDABMP CN1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000004226804 352608872 /nfs/dbraw/zinc/60/88/72/352608872.db2.gz FLCUILAEPTZUKY-UHFFFAOYSA-N 2 1 227.396 1.532 40 0 BDABMP C[N@H+](CCCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000004226804 352608876 /nfs/dbraw/zinc/60/88/76/352608876.db2.gz FLCUILAEPTZUKY-UHFFFAOYSA-N 3 1 227.396 1.532 40 0 BDABMP C[N@@H+](CCCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000004226804 352608878 /nfs/dbraw/zinc/60/88/78/352608878.db2.gz FLCUILAEPTZUKY-UHFFFAOYSA-N 3 1 227.396 1.532 40 0 BDABMP C1CCC([N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC000096049051 188148153 /nfs/dbraw/zinc/14/81/53/188148153.db2.gz JLDMPYWQDGDBRT-AWEZNQCLSA-N 2 1 238.375 1.774 40 0 BDABMP C1CCC([N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC000096049051 188148155 /nfs/dbraw/zinc/14/81/55/188148155.db2.gz JLDMPYWQDGDBRT-AWEZNQCLSA-N 2 1 238.375 1.774 40 0 BDABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCCCC[NH3+] ZINC000115820637 370696946 /nfs/dbraw/zinc/69/69/46/370696946.db2.gz CZUHROWWGMKXBH-NSHDSACASA-N 2 1 244.379 1.955 40 0 BDABMP [NH3+]CCOC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079390670 181399553 /nfs/dbraw/zinc/39/95/53/181399553.db2.gz WNSDLNDPFRDRNS-AWEZNQCLSA-N 2 1 234.343 1.626 40 0 BDABMP CSCC[C@H]([NH3+])C[NH+]1CCC(C)CC1 ZINC000039794784 386158036 /nfs/dbraw/zinc/15/80/36/386158036.db2.gz JOVUEJYZHBTTQW-NSHDSACASA-N 2 1 216.394 1.799 40 0 BDABMP [NH3+][C@H]1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000247641462 386730420 /nfs/dbraw/zinc/73/04/20/386730420.db2.gz HNIYDVDUPHDDRF-WCQYABFASA-N 2 1 202.301 1.707 40 0 BDABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH2+]CC2 ZINC000096215227 387024615 /nfs/dbraw/zinc/02/46/15/387024615.db2.gz FMBKLPISGLWYSJ-GFCCVEGCSA-N 2 1 226.364 1.485 40 0 BDABMP [NH3+]C1CCN(c2cc[nH+]c3[nH]ccc32)CC1 ZINC000029050809 132334423 /nfs/dbraw/zinc/33/44/23/132334423.db2.gz ZFBACGKIDNXYRK-UHFFFAOYSA-N 2 1 216.288 1.490 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@](C)(CC)[NH+](CC)CC ZINC000072210432 322906363 /nfs/dbraw/zinc/90/63/63/322906363.db2.gz IXTGTFBYFGOFFI-YPMHNXCESA-N 2 1 244.379 1.635 40 0 BDABMP C[NH+]1CCC2(CC1)N=C1CC[N@H+](C)C[C@H]1S2 ZINC000001719764 173003609 /nfs/dbraw/zinc/00/36/09/173003609.db2.gz HPIXOTNMJSLWPW-LLVKDONJSA-N 2 1 239.388 1.300 40 0 BDABMP COCCC[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000096523779 174222354 /nfs/dbraw/zinc/22/23/54/174222354.db2.gz XAIBOZFKJSXEBN-UHFFFAOYSA-N 2 1 242.388 1.935 40 0 BDABMP CCOc1ccc([C@H]2C[NH2+]C[C@H]2[NH3+])cc1 ZINC000396917051 343811062 /nfs/dbraw/zinc/81/10/62/343811062.db2.gz NYWKNSURPSLGEQ-VXGBXAGGSA-N 2 1 206.289 1.099 40 0 BDABMP CC(C)[N@@H+](C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178217 187535583 /nfs/dbraw/zinc/53/55/83/187535583.db2.gz JTCDTDLLVHAHFF-TXEJJXNPSA-N 2 1 214.353 1.220 40 0 BDABMP C1=CC2(CC[NH2+]CC2)CC[C@H]1[NH+]1CCOCC1 ZINC000096240267 188148367 /nfs/dbraw/zinc/14/83/67/188148367.db2.gz IFUDTPWKCXRDOX-ZDUSSCGKSA-N 2 1 236.359 1.407 40 0 BDABMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCCCCC[NH3+] ZINC000115820639 370697114 /nfs/dbraw/zinc/69/71/14/370697114.db2.gz CZUHROWWGMKXBH-LLVKDONJSA-N 2 1 244.379 1.955 40 0 BDABMP [NH3+]CC[NH2+]CCCC(=O)c1ccccc1 ZINC000019850361 181397599 /nfs/dbraw/zinc/39/75/99/181397599.db2.gz YPVRJHARGFOWMD-UHFFFAOYSA-N 2 1 206.289 1.198 40 0 BDABMP [NH3+]CCNc1cc[nH+]c2ccc(F)cc12 ZINC000107196295 181398722 /nfs/dbraw/zinc/39/87/22/181398722.db2.gz INGSIQPTEIFOSY-UHFFFAOYSA-N 2 1 205.236 1.745 40 0 BDABMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)co1 ZINC000306141109 183339328 /nfs/dbraw/zinc/33/93/28/183339328.db2.gz VLMDHZKOOMEMKY-UHFFFAOYSA-N 2 1 220.316 1.855 40 0 BDABMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccccn1 ZINC000096523793 385267283 /nfs/dbraw/zinc/26/72/83/385267283.db2.gz DPDULRMMHWXONP-AWEZNQCLSA-N 2 1 235.375 1.929 40 0 BDABMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218871659 386363625 /nfs/dbraw/zinc/36/36/25/386363625.db2.gz SLQCEYKQQSWTIW-CHWSQXEVSA-N 2 1 204.317 1.964 40 0 BDABMP COC(=O)c1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000067800997 387854426 /nfs/dbraw/zinc/85/44/26/387854426.db2.gz PDJWWOXMHAYPSL-UHFFFAOYSA-N 2 1 248.326 1.315 40 0 BDABMP C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000242592228 388399691 /nfs/dbraw/zinc/39/96/91/388399691.db2.gz ONIWGZRBYOFFRX-ITGUQSILSA-N 2 1 202.301 1.336 40 0 BDABMP C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000242592228 388399693 /nfs/dbraw/zinc/39/96/93/388399693.db2.gz ONIWGZRBYOFFRX-ITGUQSILSA-N 2 1 202.301 1.336 40 0 BDABMP c1nc(NC[C@@H]2CCCC[NH2+]2)cc(NC2CC2)[nH+]1 ZINC000079439584 388696105 /nfs/dbraw/zinc/69/61/05/388696105.db2.gz XYSKXQJGZHXKNQ-NSHDSACASA-N 2 1 247.346 1.605 40 0 BDABMP C[N@H+]1CCCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020260729 388762271 /nfs/dbraw/zinc/76/22/71/388762271.db2.gz HXTIUFSYBPDPFX-CQSZACIVSA-N 2 1 233.359 1.324 40 0 BDABMP COc1cccc2c(NCC[NH3+])cc(C)[nH+]c12 ZINC000222689748 175300201 /nfs/dbraw/zinc/30/02/01/175300201.db2.gz RTHIFBSFCQXXOJ-UHFFFAOYSA-N 2 1 231.299 1.922 40 0 BDABMP C[C@@H](c1ccccn1)[N@H+](C)C1CC[NH2+]CC1 ZINC000072203884 176026932 /nfs/dbraw/zinc/02/69/32/176026932.db2.gz QDRDELKPSKFSBU-NSHDSACASA-N 2 1 219.332 1.826 40 0 BDABMP C[C@@H](c1ccccn1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000072203884 176026933 /nfs/dbraw/zinc/02/69/33/176026933.db2.gz QDRDELKPSKFSBU-NSHDSACASA-N 2 1 219.332 1.826 40 0 BDABMP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100438432 176036605 /nfs/dbraw/zinc/03/66/05/176036605.db2.gz HIOUSJAYXATCKX-QWRGUYRKSA-N 2 1 220.320 1.208 40 0 BDABMP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100438432 176036606 /nfs/dbraw/zinc/03/66/06/176036606.db2.gz HIOUSJAYXATCKX-QWRGUYRKSA-N 2 1 220.320 1.208 40 0 BDABMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300916 188112799 /nfs/dbraw/zinc/11/27/99/188112799.db2.gz GZVXEQCMAUJNNM-UHFFFAOYSA-N 2 1 234.343 1.879 40 0 BDABMP CC(C)[N@@H+](C)C[C@H]1CCCCN1CC[NH3+] ZINC000079419016 188136145 /nfs/dbraw/zinc/13/61/45/188136145.db2.gz NDTDLOBXIYRUBZ-GFCCVEGCSA-N 2 1 213.369 1.140 40 0 BDABMP CCCC[C@]12C[NH2+]C[C@](C)(C[N@H+](C)C1)[C@@H]2O ZINC000070666322 169016634 /nfs/dbraw/zinc/01/66/34/169016634.db2.gz DVMUGLYTZFLUFI-XQQFMLRXSA-N 2 1 226.364 1.079 40 0 BDABMP CCCC[C@]12C[NH2+]C[C@](C)(C[N@@H+](C)C1)[C@@H]2O ZINC000070666322 169016638 /nfs/dbraw/zinc/01/66/38/169016638.db2.gz DVMUGLYTZFLUFI-XQQFMLRXSA-N 2 1 226.364 1.079 40 0 BDABMP CN(CC[NH3+])C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393558 384134170 /nfs/dbraw/zinc/13/41/70/384134170.db2.gz MQWADTJLUBHZJT-HNNXBMFYSA-N 2 1 247.386 1.542 40 0 BDABMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414464 384137650 /nfs/dbraw/zinc/13/76/50/384137650.db2.gz BXEJCZSUHCDQCG-AWEZNQCLSA-N 2 1 233.359 1.151 40 0 BDABMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)c(F)c1 ZINC000067802647 384165604 /nfs/dbraw/zinc/16/56/04/384165604.db2.gz YLWBSNJMZOHUJT-UHFFFAOYSA-N 2 1 222.307 1.976 40 0 BDABMP CC[N@@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178171 384284264 /nfs/dbraw/zinc/28/42/64/384284264.db2.gz GEUFAFATOXRLKY-TXEJJXNPSA-N 2 1 214.353 1.173 40 0 BDABMP Clc1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000072203553 385054369 /nfs/dbraw/zinc/05/43/69/385054369.db2.gz UOEOFNWUBKKAJY-QMMMGPOBSA-N 2 1 245.779 1.886 40 0 BDABMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccncc1 ZINC000096523802 385267383 /nfs/dbraw/zinc/26/73/83/385267383.db2.gz SJQAOXUODUHFOW-CQSZACIVSA-N 2 1 235.375 1.929 40 0 BDABMP CCn1cc(C[N@@H+](CC)CCCC[NH3+])cn1 ZINC000096523772 385269009 /nfs/dbraw/zinc/26/90/09/385269009.db2.gz ONOPYPVYNWLEFZ-UHFFFAOYSA-N 2 1 224.352 1.464 40 0 BDABMP C1CCC([N@H+]2CCOC3(CC[NH2+]CC3)C2)C1 ZINC000096531556 385283284 /nfs/dbraw/zinc/28/32/84/385283284.db2.gz QSVNKQSBOUJIIR-UHFFFAOYSA-N 2 1 224.348 1.383 40 0 BDABMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC1)C1CCCCC1 ZINC000036950402 385591586 /nfs/dbraw/zinc/59/15/86/385591586.db2.gz FHOSPTNVHXYWAO-ZDUSSCGKSA-N 2 1 226.364 1.364 40 0 BDABMP CCn1ncc(C[N@@H+](C)CCCCC[NH3+])c1C ZINC000096523837 172255100 /nfs/dbraw/zinc/25/51/00/172255100.db2.gz IKNBTONUUOQQOR-UHFFFAOYSA-N 2 1 238.379 1.772 40 0 BDABMP C[N@@H+]1[C@@H]2CC[C@H]1CC1(C2)C[C@@H]([NH3+])CCO1 ZINC000110751559 173207128 /nfs/dbraw/zinc/20/71/28/173207128.db2.gz BFAPYGWCEQJWOS-WSMDXJOWSA-N 2 1 210.321 1.120 40 0 BDABMP COCCNc1ccc(C[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000257227654 174340807 /nfs/dbraw/zinc/34/08/07/174340807.db2.gz FQHDREBBEAMFIC-GFCCVEGCSA-N 2 1 235.331 1.292 40 0 BDABMP COc1ccccc1C1([NH3+])CC[NH2+]CC1 ZINC000096029463 175320294 /nfs/dbraw/zinc/32/02/94/175320294.db2.gz VNTCCDDMRDTJLB-UHFFFAOYSA-N 2 1 206.289 1.233 40 0 BDABMP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000070026275 176037466 /nfs/dbraw/zinc/03/74/66/176037466.db2.gz HIOUSJAYXATCKX-WDEREUQCSA-N 2 1 220.320 1.208 40 0 BDABMP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000070026275 176037467 /nfs/dbraw/zinc/03/74/67/176037467.db2.gz HIOUSJAYXATCKX-WDEREUQCSA-N 2 1 220.320 1.208 40 0 BDABMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(N)=[NH2+] ZINC000066055341 176306476 /nfs/dbraw/zinc/30/64/76/176306476.db2.gz VTJULCNKQLRXFZ-PWSUYJOCSA-N 2 1 217.316 1.690 40 0 BDABMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218855083 398328828 /nfs/dbraw/zinc/32/88/28/398328828.db2.gz BVKHEYIEIBVHII-NWDGAFQWSA-N 2 1 248.326 1.775 40 0 BDABMP CC(C)[N@@H+](C)Cc1ncn2c1C[NH2+]CCC2 ZINC000096259474 188147635 /nfs/dbraw/zinc/14/76/35/188147635.db2.gz WDXKSUCGOFGSKX-UHFFFAOYSA-N 2 1 222.336 1.217 40 0 BDABMP [NH3+]CCOC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390683 181399620 /nfs/dbraw/zinc/39/96/20/181399620.db2.gz SDYPBBWJWPZUGW-HNNXBMFYSA-N 2 1 248.370 1.874 40 0 BDABMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000038040651 384061567 /nfs/dbraw/zinc/06/15/67/384061567.db2.gz CDUJSRKGPBLLBY-SNVBAGLBSA-N 2 1 205.305 1.484 40 0 BDABMP OCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393481 384134345 /nfs/dbraw/zinc/13/43/45/384134345.db2.gz FRALCQXAZQYWSC-HNNXBMFYSA-N 2 1 248.370 1.481 40 0 BDABMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079419441 384141557 /nfs/dbraw/zinc/14/15/57/384141557.db2.gz KAQCAABGQLDDHF-NWDGAFQWSA-N 2 1 241.379 1.055 40 0 BDABMP C[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591702 384195418 /nfs/dbraw/zinc/19/54/18/384195418.db2.gz IOOZHVUUMQVJIO-CYBMUJFWSA-N 2 1 225.380 1.014 40 0 BDABMP Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000082929027 384605122 /nfs/dbraw/zinc/60/51/22/384605122.db2.gz UTTGTIYNDWGBEC-QWHCGFSZSA-N 2 1 204.317 1.599 40 0 BDABMP CSCC[C@@H]([NH3+])C[NH+]1CCCCCC1 ZINC000096523855 385269179 /nfs/dbraw/zinc/26/91/79/385269179.db2.gz NRNUYOIZDFSDNH-LLVKDONJSA-N 2 1 216.394 1.943 40 0 BDABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000248156223 386747347 /nfs/dbraw/zinc/74/73/47/386747347.db2.gz ZEFJJZJDPDVJSI-NWANDNLSSA-N 2 1 245.370 1.902 40 0 BDABMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000132238625 388357989 /nfs/dbraw/zinc/35/79/89/388357989.db2.gz YWOUFBRDUWRXKT-GHMZBOCLSA-N 2 1 212.337 1.095 40 0 BDABMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218872137 175112090 /nfs/dbraw/zinc/11/20/90/175112090.db2.gz QSSMZORTYZYQMX-STQMWFEESA-N 2 1 220.316 1.665 40 0 BDABMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2)C1 ZINC000049661283 176325297 /nfs/dbraw/zinc/32/52/97/176325297.db2.gz DELQSIXFTFPJOQ-GFCCVEGCSA-N 2 1 204.317 1.728 40 0 BDABMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2)C1 ZINC000049661283 176325298 /nfs/dbraw/zinc/32/52/98/176325298.db2.gz DELQSIXFTFPJOQ-GFCCVEGCSA-N 2 1 204.317 1.728 40 0 BDABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)C ZINC000013804880 177239358 /nfs/dbraw/zinc/23/93/58/177239358.db2.gz ZFMHJCHHDNGZAM-AVGNSLFASA-N 2 1 227.396 1.256 40 0 BDABMP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+](C)C ZINC000013804880 177239360 /nfs/dbraw/zinc/23/93/60/177239360.db2.gz ZFMHJCHHDNGZAM-AVGNSLFASA-N 3 1 227.396 1.256 40 0 BDABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+](C)C ZINC000013804880 177239361 /nfs/dbraw/zinc/23/93/61/177239361.db2.gz ZFMHJCHHDNGZAM-AVGNSLFASA-N 3 1 227.396 1.256 40 0 BDABMP CC[N@@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247973567 521044843 /nfs/dbraw/zinc/04/48/43/521044843.db2.gz IAQUTXYNYZIKAY-HAQNSBGRSA-N 2 1 213.369 1.140 40 0 BDABMP CCN(CC[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247973567 521044847 /nfs/dbraw/zinc/04/48/47/521044847.db2.gz IAQUTXYNYZIKAY-HAQNSBGRSA-N 2 1 213.369 1.140 40 0 BDABMP [NH3+][C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000039343803 343389076 /nfs/dbraw/zinc/38/90/76/343389076.db2.gz HNIYDVDUPHDDRF-YPMHNXCESA-N 2 1 202.301 1.707 40 0 BDABMP CCOc1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC000396917050 343811079 /nfs/dbraw/zinc/81/10/79/343811079.db2.gz NYWKNSURPSLGEQ-RYUDHWBXSA-N 2 1 206.289 1.099 40 0 BDABMP C[N@H+](CCc1ccncc1)CC[C@@H]1CCC[NH2+]C1 ZINC000051919453 259371842 /nfs/dbraw/zinc/37/18/42/259371842.db2.gz XWJOMHZYWXMGLI-HNNXBMFYSA-N 2 1 247.386 1.946 40 0 BDABMP Cc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000022144008 179073927 /nfs/dbraw/zinc/07/39/27/179073927.db2.gz OMFBEACZDBAGCQ-UHFFFAOYSA-N 2 1 204.317 1.790 40 0 BDABMP Cc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000022144008 179073929 /nfs/dbraw/zinc/07/39/29/179073929.db2.gz OMFBEACZDBAGCQ-UHFFFAOYSA-N 2 1 204.317 1.790 40 0 BDABMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc[nH]n1 ZINC000105442661 180266415 /nfs/dbraw/zinc/26/64/15/180266415.db2.gz PRRMDOKRQSALNR-SNVBAGLBSA-N 2 1 233.319 1.341 40 0 BDABMP Cc1nn(C)c(C)c1C[N@@H+](C)CCCCC[NH3+] ZINC000096523840 180335716 /nfs/dbraw/zinc/33/57/16/180335716.db2.gz RQFWNYHZBRRVDI-UHFFFAOYSA-N 2 1 238.379 1.598 40 0 BDABMP C[N@@H+](CCc1ccncc1)CC1CC[NH2+]CC1 ZINC000011805334 370760252 /nfs/dbraw/zinc/76/02/52/370760252.db2.gz UQJYBYLDXRPPHM-UHFFFAOYSA-N 2 1 233.359 1.556 40 0 BDABMP c1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088300997 183393573 /nfs/dbraw/zinc/39/35/73/183393573.db2.gz PBYNZHYSVIFBBA-OKILXGFUSA-N 2 1 216.328 1.380 40 0 BDABMP NC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000035677139 383867221 /nfs/dbraw/zinc/86/72/21/383867221.db2.gz SICBHEQTGNGHHL-QMMMGPOBSA-N 2 1 215.094 1.408 40 0 BDABMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287569 383893220 /nfs/dbraw/zinc/89/32/20/383893220.db2.gz GDXVBWQLDBXIMD-OKILXGFUSA-N 2 1 216.328 1.646 40 0 BDABMP CCN(CC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393573 384133711 /nfs/dbraw/zinc/13/37/11/384133711.db2.gz NXPHMJZNKNRPJY-OAHLLOKOSA-N 2 1 247.386 1.542 40 0 BDABMP CC(C)[N@H+](CCO)C[C@@H]1CCC[NH+](C)C1 ZINC000079406059 384136200 /nfs/dbraw/zinc/13/62/00/384136200.db2.gz IAWBPFTVCDODPO-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[N@@H+](CCO)C[C@@H]1CCC[NH+](C)C1 ZINC000079406059 384136205 /nfs/dbraw/zinc/13/62/05/384136205.db2.gz IAWBPFTVCDODPO-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](CCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000079406059 384136209 /nfs/dbraw/zinc/13/62/09/384136209.db2.gz IAWBPFTVCDODPO-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](CCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079406059 384136214 /nfs/dbraw/zinc/13/62/14/384136214.db2.gz IAWBPFTVCDODPO-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419462 384143926 /nfs/dbraw/zinc/14/39/26/384143926.db2.gz SJWCBRSIHPELSO-QJPTWQEYSA-N 2 1 241.379 1.101 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@](C)(CC)[NH+]1CCCC1 ZINC000072210434 384158564 /nfs/dbraw/zinc/15/85/64/384158564.db2.gz DDUUSFCOUXACEG-AAEUAGOBSA-N 2 1 242.363 1.389 40 0 BDABMP CN1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000020217785 384603657 /nfs/dbraw/zinc/60/36/57/384603657.db2.gz BIFFIVSKURMWBK-UHFFFAOYSA-N 2 1 213.369 1.143 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@@](C)(CC)[NH+]1CCCC1 ZINC000072210437 385067397 /nfs/dbraw/zinc/06/73/97/385067397.db2.gz DDUUSFCOUXACEG-DGCLKSJQSA-N 2 1 242.363 1.389 40 0 BDABMP [NH3+]C[C@H]1C[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000096509402 385241424 /nfs/dbraw/zinc/24/14/24/385241424.db2.gz BNOXARHBBQKXRU-ZIAGYGMSSA-N 2 1 216.328 1.640 40 0 BDABMP c1csc(C[NH2+]C[C@@H]2CCc3[nH+]ccn32)n1 ZINC000306144404 385992826 /nfs/dbraw/zinc/99/28/26/385992826.db2.gz ZEHZGZIBEODUOY-VIFPVBQESA-N 2 1 234.328 1.617 40 0 BDABMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218871524 386365685 /nfs/dbraw/zinc/36/56/85/386365685.db2.gz SLQCEYKQQSWTIW-QWHCGFSZSA-N 2 1 204.317 1.964 40 0 BDABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH2+]CC2 ZINC000096215229 387025005 /nfs/dbraw/zinc/02/50/05/387025005.db2.gz FMBKLPISGLWYSJ-LBPRGKRZSA-N 2 1 226.364 1.485 40 0 BDABMP CC[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000252486467 388653324 /nfs/dbraw/zinc/65/33/24/388653324.db2.gz KKBBBUBRGOOPKF-KOLCDFICSA-N 2 1 234.347 1.903 40 0 BDABMP [NH3+]CCC[NH2+]Cc1ccccc1Br ZINC000037713418 527179798 /nfs/dbraw/zinc/17/97/98/527179798.db2.gz SEZVPKPYUHGCHD-UHFFFAOYSA-N 2 1 243.148 1.888 40 0 biogenic,in-vitro BDABMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH+]2C)C1 ZINC000252486989 259326367 /nfs/dbraw/zinc/32/63/67/259326367.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 2 1 226.364 1.173 40 0 BDABMP C[C@H](O)C[NH+]1CCC[C@@H]([C@H]2CCC[N@@H+]2C)C1 ZINC000252486989 259326369 /nfs/dbraw/zinc/32/63/69/259326369.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 2 1 226.364 1.173 40 0 BDABMP C[C@H](O)C[NH+]1CCC[C@@H]([C@H]2CCC[N@H+]2C)C1 ZINC000252486989 259326371 /nfs/dbraw/zinc/32/63/71/259326371.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 2 1 226.364 1.173 40 0 BDABMP NC[C@H]([NH3+])c1cccc(Br)c1 ZINC000035677129 383865721 /nfs/dbraw/zinc/86/57/21/383865721.db2.gz SWWWAQPDPMNNLH-QMMMGPOBSA-N 2 1 215.094 1.408 40 0 BDABMP C[N@H+](Cc1ccccc1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000079414477 384135479 /nfs/dbraw/zinc/13/54/79/384135479.db2.gz REOHBHQDJUTFKI-HNNXBMFYSA-N 2 1 247.386 1.399 40 0 BDABMP CC(C)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000079418514 384143112 /nfs/dbraw/zinc/14/31/12/384143112.db2.gz VRHZSCXFUATNSJ-UHFFFAOYSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[N@@H+](C)C1CCC([NH2+]CCO)CC1 ZINC000079418519 384143946 /nfs/dbraw/zinc/14/39/46/384143946.db2.gz JTCDTDLLVHAHFF-UHFFFAOYSA-N 2 1 214.353 1.220 40 0 BDABMP CC(C)[N@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC000079418506 384144329 /nfs/dbraw/zinc/14/43/29/384144329.db2.gz MQMHXTWQPOGGQF-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[N@@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC000079418506 384144330 /nfs/dbraw/zinc/14/43/30/384144330.db2.gz MQMHXTWQPOGGQF-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](C)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000079418506 384144332 /nfs/dbraw/zinc/14/43/32/384144332.db2.gz MQMHXTWQPOGGQF-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079418506 384144334 /nfs/dbraw/zinc/14/43/34/384144334.db2.gz MQMHXTWQPOGGQF-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP COC[C@H]1CC2(C[N@H+]1CC1CC1)CC[NH2+]CC2 ZINC000096220371 384441784 /nfs/dbraw/zinc/44/17/84/384441784.db2.gz JJJFSFGQFRGEPL-CYBMUJFWSA-N 2 1 238.375 1.487 40 0 BDABMP C[NH+](C)Cc1cncc2c1CC[N@@H+](CC1CC1)C2 ZINC000096189458 384442357 /nfs/dbraw/zinc/44/23/57/384442357.db2.gz CIERSNOSWHSCGP-UHFFFAOYSA-N 2 1 245.370 1.911 40 0 BDABMP CC[C@@H]1CCCC[N@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716245 384700656 /nfs/dbraw/zinc/70/06/56/384700656.db2.gz KHYKSSPGOLJLJE-GFCCVEGCSA-N 2 1 236.363 1.643 40 0 BDABMP C[NH+]1CCN(c2ccc(C3=[NH+]CCC3)cn2)CC1 ZINC000072216503 385097562 /nfs/dbraw/zinc/09/75/62/385097562.db2.gz BIDZXZVUVPLRLP-UHFFFAOYSA-N 2 1 244.342 1.416 40 0 BDABMP Cc1noc(C)c1CC[N@@H+](C)CCCCC[NH3+] ZINC000096523834 385268936 /nfs/dbraw/zinc/26/89/36/385268936.db2.gz DQQSEPFWQDGFLD-UHFFFAOYSA-N 2 1 239.363 1.895 40 0 BDABMP Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000124703441 386680498 /nfs/dbraw/zinc/68/04/98/386680498.db2.gz DWWJRXIYRTUOAW-JQWIXIFHSA-N 2 1 222.336 1.027 40 0 BDABMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000124703228 386681860 /nfs/dbraw/zinc/68/18/60/386681860.db2.gz DWWJRXIYRTUOAW-CMPLNLGQSA-N 2 1 222.336 1.027 40 0 BDABMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000124702792 386681959 /nfs/dbraw/zinc/68/19/59/386681959.db2.gz DWWJRXIYRTUOAW-ZYHUDNBSSA-N 2 1 222.336 1.027 40 0 BDABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000248156219 386747294 /nfs/dbraw/zinc/74/72/94/386747294.db2.gz ZEFJJZJDPDVJSI-BPLDGKMQSA-N 2 1 245.370 1.902 40 0 BDABMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011888347 388711085 /nfs/dbraw/zinc/71/10/85/388711085.db2.gz YUZWLFIRLGSVNF-GFCCVEGCSA-N 2 1 222.307 1.996 40 0 BDABMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011888347 388711086 /nfs/dbraw/zinc/71/10/86/388711086.db2.gz YUZWLFIRLGSVNF-GFCCVEGCSA-N 2 1 222.307 1.996 40 0 BDABMP CC(C)CC[N@H+]1C[C@@H]2C[NH2+][C@@H](C)[C@@H](C2)C1 ZINC000095093778 388760415 /nfs/dbraw/zinc/76/04/15/388760415.db2.gz ASNWQCZZCXAZLN-AVGNSLFASA-N 2 1 210.365 1.962 40 0 BDABMP CC(C)(O)c1ccc2c(c1)CC[N@H+](CCC[NH3+])C2 ZINC000038539996 323089390 /nfs/dbraw/zinc/08/93/90/323089390.db2.gz FLLPLDJGUUILOV-UHFFFAOYSA-N 2 1 248.370 1.621 40 0 BDABMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(N)=[NH2+] ZINC000101711994 488126541 /nfs/dbraw/zinc/12/65/41/488126541.db2.gz VTJULCNKQLRXFZ-CMPLNLGQSA-N 2 1 217.316 1.690 40 0 BDABMP CCOc1ccccc1[C@@H]1C[NH2+]C[C@H]1[NH3+] ZINC000396828554 343811178 /nfs/dbraw/zinc/81/11/78/343811178.db2.gz OXGKTTPGTUEUOF-WDEREUQCSA-N 2 1 206.289 1.099 40 0 BDABMP CCC[NH+]1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918825 259372328 /nfs/dbraw/zinc/37/23/28/259372328.db2.gz JXZNNISLWDGZRL-CQSZACIVSA-N 2 1 239.407 1.404 40 0 BDABMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000074204494 347252380 /nfs/dbraw/zinc/25/23/80/347252380.db2.gz DPPPALZSPFEMNV-CHWSQXEVSA-N 2 1 204.317 1.508 40 0 BDABMP Cc1nn(C)c(C)c1CC[N@@H+](C)CCCC[NH3+] ZINC000096523771 180335567 /nfs/dbraw/zinc/33/55/67/180335567.db2.gz XNNLHGAXZWKOIS-UHFFFAOYSA-N 2 1 238.379 1.250 40 0 BDABMP Cc1cccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)c1C ZINC000000203685 191108023 /nfs/dbraw/zinc/10/80/23/191108023.db2.gz RLCCKONBYMJOPX-UHFFFAOYSA-N 2 1 245.330 1.725 40 0 BDABMP CCN(CC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393575 384133285 /nfs/dbraw/zinc/13/32/85/384133285.db2.gz NXPHMJZNKNRPJY-HNNXBMFYSA-N 2 1 247.386 1.542 40 0 BDABMP [NH3+][C@H]1[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100645546 384649622 /nfs/dbraw/zinc/64/96/22/384649622.db2.gz PZBJODSAGVQRDZ-ITGUQSILSA-N 2 1 202.301 1.466 40 0 BDABMP CC[C@H]1CCCC[N@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716246 384701761 /nfs/dbraw/zinc/70/17/61/384701761.db2.gz KHYKSSPGOLJLJE-LBPRGKRZSA-N 2 1 236.363 1.643 40 0 BDABMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950433 385591528 /nfs/dbraw/zinc/59/15/28/385591528.db2.gz SRGZXIQVTVCGOL-NTZNESFSSA-N 2 1 226.364 1.077 40 0 BDABMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873567 386427331 /nfs/dbraw/zinc/42/73/31/386427331.db2.gz FBZYASFAIZMFDP-VXGBXAGGSA-N 2 1 208.280 1.795 40 0 BDABMP C[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242750665 388400882 /nfs/dbraw/zinc/40/08/82/388400882.db2.gz ZVFZUUAVIAYGQA-SCZZXKLOSA-N 2 1 220.320 1.513 40 0 BDABMP CC[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043601164 388612203 /nfs/dbraw/zinc/61/22/03/388612203.db2.gz QHAFTBYARMJUPG-CQSZACIVSA-N 2 1 239.407 1.404 40 0 BDABMP COCCNc1ccc(C[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000257227655 174340920 /nfs/dbraw/zinc/34/09/20/174340920.db2.gz FQHDREBBEAMFIC-LBPRGKRZSA-N 2 1 235.331 1.292 40 0 BDABMP COc1ccccc1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000041301834 175322242 /nfs/dbraw/zinc/32/22/42/175322242.db2.gz MOGFSSVMANUHQG-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP COc1ccccc1CCC[N@H+]1CCC[NH2+]CC1 ZINC000041301834 175322245 /nfs/dbraw/zinc/32/22/45/175322245.db2.gz MOGFSSVMANUHQG-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)C ZINC000102761562 177239170 /nfs/dbraw/zinc/23/91/70/177239170.db2.gz ZFMHJCHHDNGZAM-RWMBFGLXSA-N 2 1 227.396 1.256 40 0 BDABMP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000102761562 177239171 /nfs/dbraw/zinc/23/91/71/177239171.db2.gz ZFMHJCHHDNGZAM-RWMBFGLXSA-N 3 1 227.396 1.256 40 0 BDABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000102761562 177239172 /nfs/dbraw/zinc/23/91/72/177239172.db2.gz ZFMHJCHHDNGZAM-RWMBFGLXSA-N 3 1 227.396 1.256 40 0 BDABMP Fc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038040800 343367149 /nfs/dbraw/zinc/36/71/49/343367149.db2.gz OUFUHQIXAQAOGR-UHFFFAOYSA-N 2 1 208.280 1.667 40 0 BDABMP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)s1 ZINC000248118984 178590550 /nfs/dbraw/zinc/59/05/50/178590550.db2.gz UHTVMCZQSTYLCG-CNDDSTCGSA-N 2 1 222.357 1.693 40 0 BDABMP CCOc1ccccc1[C@H]1C[NH2+]C[C@H]1[NH3+] ZINC000396828551 343810967 /nfs/dbraw/zinc/81/09/67/343810967.db2.gz OXGKTTPGTUEUOF-GHMZBOCLSA-N 2 1 206.289 1.099 40 0 BDABMP C[N@@H+]1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112990 344137205 /nfs/dbraw/zinc/13/72/05/344137205.db2.gz ZOVOAWKHNZSQPQ-CYBMUJFWSA-N 2 1 234.347 1.356 40 0 BDABMP CC[NH+]1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918912 358100544 /nfs/dbraw/zinc/10/05/44/358100544.db2.gz SVNWUWKSUKFMLK-ZDUSSCGKSA-N 2 1 225.380 1.014 40 0 BDABMP [NH3+]C1CCC(N2CC[NH+](CC3CC3)CC2)CC1 ZINC000035874766 181341432 /nfs/dbraw/zinc/34/14/32/181341432.db2.gz LBYALFWGJOLWMN-UHFFFAOYSA-N 2 1 237.391 1.284 40 0 BDABMP [NH3+]CCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390675 181399334 /nfs/dbraw/zinc/39/93/34/181399334.db2.gz WDWMGBAELVWZKR-AWEZNQCLSA-N 2 1 234.343 1.626 40 0 BDABMP CC(C)[N@@H+](CCO)C1CCC([NH+](C)C)CC1 ZINC000079406071 384135648 /nfs/dbraw/zinc/13/56/48/384135648.db2.gz DBMZECQYIOLMJZ-UHFFFAOYSA-N 2 1 228.380 1.562 40 0 BDABMP CC(C)N(CC[NH3+])C[C@H]1CCCC[N@H+]1C ZINC000079406294 384136954 /nfs/dbraw/zinc/13/69/54/384136954.db2.gz XIFUVZHNNRYTEM-GFCCVEGCSA-N 2 1 213.369 1.140 40 0 BDABMP CC(C)[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000079406065 384136988 /nfs/dbraw/zinc/13/69/88/384136988.db2.gz PFIAPFXLOARUBZ-UHFFFAOYSA-N 2 1 214.353 1.031 40 0 BDABMP C[NH+](C)C1CCC([N@@H+](CCO)C2CC2)CC1 ZINC000079426382 384146899 /nfs/dbraw/zinc/14/68/99/384146899.db2.gz RWMPQWMWNWVMTC-UHFFFAOYSA-N 2 1 226.364 1.316 40 0 BDABMP [NH3+][C@@H]1C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000216407572 385056214 /nfs/dbraw/zinc/05/62/14/385056214.db2.gz HRHOQWHMSDKGIB-ZIAGYGMSSA-N 2 1 216.328 2.000 40 0 BDABMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218871593 386364684 /nfs/dbraw/zinc/36/46/84/386364684.db2.gz SLQCEYKQQSWTIW-STQMWFEESA-N 2 1 204.317 1.964 40 0 BDABMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218871705 386364790 /nfs/dbraw/zinc/36/47/90/386364790.db2.gz SLQCEYKQQSWTIW-OLZOCXBDSA-N 2 1 204.317 1.964 40 0 BDABMP CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004129040 387562543 /nfs/dbraw/zinc/56/25/43/387562543.db2.gz DIQREXVGAWIWBR-BJDJZHNGSA-N 2 1 214.353 1.076 40 0 BDABMP C[N@H+]1CCCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000020217784 388590887 /nfs/dbraw/zinc/59/08/87/388590887.db2.gz OVAIXYYSKZKZNO-HNNXBMFYSA-N 2 1 247.386 1.194 40 0 BDABMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000225607229 388838889 /nfs/dbraw/zinc/83/88/89/388838889.db2.gz VFJQQDKNVMXPLG-ZYHUDNBSSA-N 2 1 208.280 1.430 40 0 BDABMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000306129264 167035942 /nfs/dbraw/zinc/03/59/42/167035942.db2.gz HYYRVRYJCPRSEQ-RDBSUJKOSA-N 2 1 248.374 1.344 40 0 BDABMP CCn1cc(C[N@@H+](C)CCCC[NH3+])c(C)n1 ZINC000096523776 172160683 /nfs/dbraw/zinc/16/06/83/172160683.db2.gz LIPAHDLUADJXPD-UHFFFAOYSA-N 2 1 224.352 1.382 40 0 BDABMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OC ZINC000008377213 173350068 /nfs/dbraw/zinc/35/00/68/173350068.db2.gz VAEPTQGKHMMDAV-UHFFFAOYSA-N 2 1 238.331 1.403 40 0 BDABMP C[NH2+]C[C@@H]1C[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000096509387 173372375 /nfs/dbraw/zinc/37/23/75/173372375.db2.gz GGQRXWZCRLVXAI-GJZGRUSLSA-N 2 1 230.355 1.900 40 0 BDABMP C[NH+]1CCN(c2c(F)cccc2C[NH3+])CC1 ZINC000234361277 487796575 /nfs/dbraw/zinc/79/65/75/487796575.db2.gz XLQLQQNLIROZFJ-UHFFFAOYSA-N 2 1 223.295 1.036 40 0 BDABMP CC[NH+](CC)CCNC(=[NH2+])c1ccccc1 ZINC000001685205 342709046 /nfs/dbraw/zinc/70/90/46/342709046.db2.gz PJOQKQZFNJNIND-UHFFFAOYSA-N 2 1 219.332 1.943 40 0 BDABMP CC[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242495886 259326121 /nfs/dbraw/zinc/32/61/21/259326121.db2.gz GROOQHFRWPFWFN-KBPBESRZSA-N 2 1 218.344 1.898 40 0 BDABMP [NH3+]CC(F)(C[NH3+])Cc1ccc(Cl)cc1 ZINC000585142303 344174841 /nfs/dbraw/zinc/17/48/41/344174841.db2.gz WEIPKQNHDNLYHY-UHFFFAOYSA-N 2 1 216.687 1.508 40 0 BDABMP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072348376 180230624 /nfs/dbraw/zinc/23/06/24/180230624.db2.gz IUFACSBXNGWJAL-LLVKDONJSA-N 2 1 243.314 1.438 40 0 BDABMP NC(=[NH2+])SC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000017610789 181192904 /nfs/dbraw/zinc/19/29/04/181192904.db2.gz XWYJFWSEMHIYBX-UWVGGRQHSA-N 2 1 227.377 1.878 40 0 BDABMP [NH3+]CCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382573 181370531 /nfs/dbraw/zinc/37/05/31/181370531.db2.gz ANAXOBVFBZOIQA-RYUDHWBXSA-N 2 1 240.347 1.143 40 0 biogenic,in-vitro BDABMP [NH3+]CC[NH2+]Cc1cccc2ccccc21 ZINC000037712259 181396674 /nfs/dbraw/zinc/39/66/74/181396674.db2.gz QRNYLVMUJRSIMH-UHFFFAOYSA-N 2 1 200.285 1.888 40 0 BDABMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414457 384136806 /nfs/dbraw/zinc/13/68/06/384136806.db2.gz BXEJCZSUHCDQCG-CQSZACIVSA-N 2 1 233.359 1.151 40 0 BDABMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414494 384138084 /nfs/dbraw/zinc/13/80/84/384138084.db2.gz VPGCATPJUSKIPV-OAHLLOKOSA-N 2 1 247.386 1.542 40 0 BDABMP C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCO)C1 ZINC000079414110 384137570 /nfs/dbraw/zinc/13/75/70/384137570.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079414110 384137575 /nfs/dbraw/zinc/13/75/75/384137575.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414110 384137583 /nfs/dbraw/zinc/13/75/83/384137583.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 2 1 248.370 1.433 40 0 BDABMP CC(C)[N@@H+](C)C1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000079419453 384143576 /nfs/dbraw/zinc/14/35/76/384143576.db2.gz NNXHCQLIIHFSJI-UNXYVOJBSA-N 2 1 241.379 1.101 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@@](C)(CC)[NH+]1CCCC1 ZINC000072210435 385068476 /nfs/dbraw/zinc/06/84/76/385068476.db2.gz DDUUSFCOUXACEG-WCQYABFASA-N 2 1 242.363 1.389 40 0 BDABMP C[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216327 385095194 /nfs/dbraw/zinc/09/51/94/385095194.db2.gz UHUYXOXQPORYMN-CYBMUJFWSA-N 2 1 246.358 1.258 40 0 BDABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCC[NH3+] ZINC000064219637 385245949 /nfs/dbraw/zinc/24/59/49/385245949.db2.gz XREMTGLZTIREIM-VIFPVBQESA-N 2 1 216.325 1.175 40 0 BDABMP [NH3+][C@@H]1CC[N@H+](CCCn2cnc3ccccc32)C1 ZINC000096523480 385267622 /nfs/dbraw/zinc/26/76/22/385267622.db2.gz WELBYCAOOLNBGX-GFCCVEGCSA-N 2 1 244.342 1.459 40 0 BDABMP [NH3+][C@@H]1CC[N@@H+](CCCn2cnc3ccccc32)C1 ZINC000096523480 385267629 /nfs/dbraw/zinc/26/76/29/385267629.db2.gz WELBYCAOOLNBGX-GFCCVEGCSA-N 2 1 244.342 1.459 40 0 BDABMP CC(C)(C)OC(=O)[C@H]([NH3+])CC1CC[NH2+]CC1 ZINC000071186783 388508975 /nfs/dbraw/zinc/50/89/75/388508975.db2.gz BGPALDULXGNAOL-SNVBAGLBSA-N 2 1 228.336 1.045 40 0 BDABMP [NH3+]C[C@@H]1C[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000110748797 388649981 /nfs/dbraw/zinc/64/99/81/388649981.db2.gz BNOXARHBBQKXRU-KBPBESRZSA-N 2 1 216.328 1.640 40 0 BDABMP C[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515793 173037350 /nfs/dbraw/zinc/03/73/50/173037350.db2.gz ZVFZUUAVIAYGQA-WCBMZHEXSA-N 2 1 220.320 1.513 40 0 BDABMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2)C1 ZINC000049661285 177282682 /nfs/dbraw/zinc/28/26/82/177282682.db2.gz DELQSIXFTFPJOQ-LBPRGKRZSA-N 2 1 204.317 1.728 40 0 BDABMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2)C1 ZINC000049661285 177282684 /nfs/dbraw/zinc/28/26/84/177282684.db2.gz DELQSIXFTFPJOQ-LBPRGKRZSA-N 2 1 204.317 1.728 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+](C)C)CCCCC1 ZINC000072210448 259316938 /nfs/dbraw/zinc/31/69/38/259316938.db2.gz VXSIBMRCJPPOLG-LLVKDONJSA-N 2 1 242.363 1.389 40 0 BDABMP CCN(CC)Cc1nc(C(C)(C)N)no1 ZINC000043401967 342794255 /nfs/dbraw/zinc/79/42/55/342794255.db2.gz YDLVEWWOCXACCB-UHFFFAOYSA-N 2 1 212.297 1.105 40 0 BDABMP CC1(C)NC(=N)NC(Nc2ccc(F)cc2)=[NH+]1 ZINC000000203677 188272158 /nfs/dbraw/zinc/27/21/58/188272158.db2.gz CNDSGGROBRBCIB-UHFFFAOYSA-N 2 1 235.266 1.248 40 0 BDABMP CN(CCC[NH3+])CCC[N@@H+](C)Cc1ccccc1 ZINC000685936231 538755312 /nfs/dbraw/zinc/75/53/12/538755312.db2.gz LTZGZJMNMUWVRF-UHFFFAOYSA-N 2 1 249.402 1.789 40 0 BDABMP Nc1cccc(C[C@H]2COC3(C2)CC[NH2+]CC3)[nH+]1 ZINC000205681058 368356867 /nfs/dbraw/zinc/35/68/67/368356867.db2.gz LHNLTNNRVNIAFW-LLVKDONJSA-N 2 1 247.342 1.365 40 0 BDABMP C[NH+](C)CCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000001682883 383922232 /nfs/dbraw/zinc/92/22/32/383922232.db2.gz KSKOQEQIRRUHFO-BETUJISGSA-N 2 1 208.349 1.836 40 0 BDABMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000038040650 384061315 /nfs/dbraw/zinc/06/13/15/384061315.db2.gz CDUJSRKGPBLLBY-JTQLQIEISA-N 2 1 205.305 1.484 40 0 BDABMP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000082380028 384676285 /nfs/dbraw/zinc/67/62/85/384676285.db2.gz WVCJHFSAQOVXDK-ZDUSSCGKSA-N 2 1 204.317 2.000 40 0 BDABMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000082380028 384676293 /nfs/dbraw/zinc/67/62/93/384676293.db2.gz WVCJHFSAQOVXDK-ZDUSSCGKSA-N 2 1 204.317 2.000 40 0 BDABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000104952895 384851284 /nfs/dbraw/zinc/85/12/84/384851284.db2.gz ZEFJJZJDPDVJSI-AEGPPILISA-N 2 1 245.370 1.902 40 0 BDABMP CCCC[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000096523718 385268137 /nfs/dbraw/zinc/26/81/37/385268137.db2.gz FAMXRDNEJGUJIV-UHFFFAOYSA-N 2 1 239.407 1.404 40 0 BDABMP Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)s1 ZINC000248118988 386744772 /nfs/dbraw/zinc/74/47/72/386744772.db2.gz UHTVMCZQSTYLCG-ZSBIGDGJSA-N 2 1 222.357 1.693 40 0 BDABMP C[NH+]1CCC2(CC1)N=C1CC[N@H+](C)C[C@@H]1S2 ZINC000004963706 173003600 /nfs/dbraw/zinc/00/36/00/173003600.db2.gz HPIXOTNMJSLWPW-NSHDSACASA-N 2 1 239.388 1.300 40 0 BDABMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218872084 175109928 /nfs/dbraw/zinc/10/99/28/175109928.db2.gz QSSMZORTYZYQMX-QWHCGFSZSA-N 2 1 220.316 1.665 40 0 BDABMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(N)=[NH2+] ZINC000066055342 177266192 /nfs/dbraw/zinc/26/61/92/177266192.db2.gz VTJULCNKQLRXFZ-JQWIXIFHSA-N 2 1 217.316 1.690 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])C1([NH+](C)C)CCCCC1 ZINC000072210449 259316771 /nfs/dbraw/zinc/31/67/71/259316771.db2.gz VXSIBMRCJPPOLG-NSHDSACASA-N 2 1 242.363 1.389 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@H](C(C)C)[NH+]1CCCC1 ZINC000072210502 259316793 /nfs/dbraw/zinc/31/67/93/259316793.db2.gz WZCJBBPBXGAPGC-NEPJUHHUSA-N 2 1 242.363 1.245 40 0 BDABMP CC[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242495889 259325983 /nfs/dbraw/zinc/32/59/83/259325983.db2.gz GROOQHFRWPFWFN-ZIAGYGMSSA-N 2 1 218.344 1.898 40 0 BDABMP FC(F)(F)[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000393778581 343810258 /nfs/dbraw/zinc/81/02/58/343810258.db2.gz PZQMKTYYZQOQLZ-QMMMGPOBSA-N 2 1 222.254 1.623 40 0 BDABMP FC(F)(F)[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000393778581 343810260 /nfs/dbraw/zinc/81/02/60/343810260.db2.gz PZQMKTYYZQOQLZ-QMMMGPOBSA-N 2 1 222.254 1.623 40 0 BDABMP Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH3+])C2)c1 ZINC000216531062 179085085 /nfs/dbraw/zinc/08/50/85/179085085.db2.gz CNRWJJZHBABOCP-ZIAGYGMSSA-N 2 1 216.328 1.776 40 0 BDABMP [NH3+]CC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000096523632 181365774 /nfs/dbraw/zinc/36/57/74/181365774.db2.gz JFNDKIRBXSZXJL-UHFFFAOYSA-N 2 1 244.342 1.734 40 0 BDABMP [NH3+]CCOC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079390672 181399195 /nfs/dbraw/zinc/39/91/95/181399195.db2.gz TVTJYNDURJBHRQ-AWEZNQCLSA-N 2 1 234.343 1.484 40 0 BDABMP CC[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000019794300 371190278 /nfs/dbraw/zinc/19/02/78/371190278.db2.gz DWAPUIODRHWFDP-UHFFFAOYSA-N 2 1 213.369 1.143 40 0 BDABMP Cc1ccc([C@@H]2C[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000216408948 371751722 /nfs/dbraw/zinc/75/17/22/371751722.db2.gz UTTGTIYNDWGBEC-OLZOCXBDSA-N 2 1 204.317 1.599 40 0 BDABMP NC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000035677138 383867116 /nfs/dbraw/zinc/86/71/16/383867116.db2.gz SICBHEQTGNGHHL-MRVPVSSYSA-N 2 1 215.094 1.408 40 0 BDABMP CCCC[N@@H+](CC)C[C@@H](O)C[NH2+]C1CC1 ZINC000034978517 384009315 /nfs/dbraw/zinc/00/93/15/384009315.db2.gz HFRCFHDXTUFJHP-LBPRGKRZSA-N 2 1 214.353 1.221 40 0 BDABMP C[N@H+](Cc1ccccc1)C[C@H]1CCCN1CC[NH3+] ZINC000079414473 384135922 /nfs/dbraw/zinc/13/59/22/384135922.db2.gz NNVVZNJLUYXBRE-OAHLLOKOSA-N 2 1 247.386 1.542 40 0 BDABMP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](C1CCCC1)C2 ZINC000096217470 384442965 /nfs/dbraw/zinc/44/29/65/384442965.db2.gz NIKSBNPOQHBXIL-OCCSQVGLSA-N 2 1 238.375 1.439 40 0 BDABMP Cn1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)cn1 ZINC000257708503 385773172 /nfs/dbraw/zinc/77/31/72/385773172.db2.gz SAVKNCODGUFAPK-UHFFFAOYSA-N 2 1 234.347 1.138 40 0 BDABMP Cn1cc(C[N@H+]2CCCC23CC[NH2+]CC3)cn1 ZINC000257708503 385773177 /nfs/dbraw/zinc/77/31/77/385773177.db2.gz SAVKNCODGUFAPK-UHFFFAOYSA-N 2 1 234.347 1.138 40 0 BDABMP [NH3+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000034144295 388351741 /nfs/dbraw/zinc/35/17/41/388351741.db2.gz XXAYGJGDVLSEML-GFCCVEGCSA-N 2 1 236.315 1.186 40 0 BDABMP CNc1cc(C)[nH+]c([C@H]2C[NH2+]CCO2)c1 ZINC000257342055 388697878 /nfs/dbraw/zinc/69/78/78/388697878.db2.gz ZMWVRWQHGJLVKL-LLVKDONJSA-N 2 1 207.277 1.093 40 0 BDABMP C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000082945365 173192194 /nfs/dbraw/zinc/19/21/94/173192194.db2.gz VFJQQDKNVMXPLG-JQWIXIFHSA-N 2 1 208.280 1.430 40 0 BDABMP C[NH2+]C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000035225629 173364863 /nfs/dbraw/zinc/36/48/63/173364863.db2.gz HNXYRQIWABISIU-JTQLQIEISA-N 2 1 203.289 1.257 40 0 BDABMP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100438428 177051337 /nfs/dbraw/zinc/05/13/37/177051337.db2.gz HIOUSJAYXATCKX-MNOVXSKESA-N 2 1 220.320 1.208 40 0 BDABMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100438428 177051338 /nfs/dbraw/zinc/05/13/38/177051338.db2.gz HIOUSJAYXATCKX-MNOVXSKESA-N 2 1 220.320 1.208 40 0 BDABMP CCC(CC)C[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096049050 168352833 /nfs/dbraw/zinc/35/28/33/168352833.db2.gz BCNQZMCUIPDWNB-CQSZACIVSA-N 2 1 240.391 1.877 40 0 BDABMP CCC(CC)C[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096049050 168352835 /nfs/dbraw/zinc/35/28/35/168352835.db2.gz BCNQZMCUIPDWNB-CQSZACIVSA-N 2 1 240.391 1.877 40 0 BDABMP Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(C[NH3+])C2)cc1 ZINC000096509108 343754937 /nfs/dbraw/zinc/75/49/37/343754937.db2.gz KLKXQMSUZMOTNO-KBPBESRZSA-N 2 1 216.328 1.776 40 0 BDABMP CC[NH+](CC)CC[C@H]1C[N@@H+](C)Cc2ccnn21 ZINC000585112269 344136683 /nfs/dbraw/zinc/13/66/83/344136683.db2.gz MGUDGYAHPGLCLO-ZDUSSCGKSA-N 2 1 236.363 1.602 40 0 BDABMP Cc1ccccc1NC1=[NH+]C(C)(C)NC(=[NH2+])N1 ZINC000000203665 179305156 /nfs/dbraw/zinc/30/51/56/179305156.db2.gz BSBZXWIQLSREJM-UHFFFAOYSA-N 2 1 231.303 1.417 40 0 BDABMP C(C1CCCC1)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000096208749 191055840 /nfs/dbraw/zinc/05/58/40/191055840.db2.gz VFLNSXFFGRZZKN-CHWSQXEVSA-N 2 1 224.348 1.097 40 0 BDABMP C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225607336 259540101 /nfs/dbraw/zinc/54/01/01/259540101.db2.gz WZBGXWRNEQOOCJ-CMPLNLGQSA-N 2 1 224.735 1.944 40 0 BDABMP c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC000083284262 183395955 /nfs/dbraw/zinc/39/59/55/183395955.db2.gz FEEPYEXHXJWMAX-UHFFFAOYSA-N 2 1 202.301 1.482 40 0 BDABMP c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC000083284262 183395956 /nfs/dbraw/zinc/39/59/56/183395956.db2.gz FEEPYEXHXJWMAX-UHFFFAOYSA-N 2 1 202.301 1.482 40 0 BDABMP NC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000035677096 383865671 /nfs/dbraw/zinc/86/56/71/383865671.db2.gz PZUVTQYOKUMPDY-MRVPVSSYSA-N 2 1 204.195 1.664 40 0 BDABMP CCC[N@@H+](CC)Cc1c(C[NH3+])cnn1C ZINC000408716562 384704288 /nfs/dbraw/zinc/70/42/88/384704288.db2.gz OICVLGKJMPLRBE-UHFFFAOYSA-N 2 1 210.325 1.111 40 0 BDABMP [NH3+]Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000022763319 384775010 /nfs/dbraw/zinc/77/50/10/384775010.db2.gz UQNMTLIVIOFSQQ-OAHLLOKOSA-N 2 1 245.370 1.425 40 0 BDABMP C1CCC([N@H+]2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC000096531558 385283271 /nfs/dbraw/zinc/28/32/71/385283271.db2.gz HKYZYJJMLNSZTG-UHFFFAOYSA-N 2 1 238.375 1.774 40 0 BDABMP C[C@@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH+]2C)C1 ZINC000095097502 385434680 /nfs/dbraw/zinc/43/46/80/385434680.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 2 1 226.364 1.173 40 0 BDABMP CC[NH+](CC)CCC[NH2+]Cc1c(C)cnn1C ZINC000256055169 387862605 /nfs/dbraw/zinc/86/26/05/387862605.db2.gz ZNMDOAUMMNSDLV-UHFFFAOYSA-N 2 1 238.379 1.550 40 0 BDABMP CN(Cc1cn2c(n1)C[NH2+]CC2)Cc1ccco1 ZINC000107491782 388616769 /nfs/dbraw/zinc/61/67/69/388616769.db2.gz LBMQRXDRRCNCJA-UHFFFAOYSA-N 2 1 246.314 1.211 40 0 BDABMP CCCN(C)C[C@H]([NH3+])Cc1ccccc1 ZINC000037098579 397968586 /nfs/dbraw/zinc/96/85/86/397968586.db2.gz HCZKBZPJMAJMJM-CYBMUJFWSA-N 2 1 206.333 1.898 40 0 BDABMP CCC[N@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC000037098579 397968588 /nfs/dbraw/zinc/96/85/88/397968588.db2.gz HCZKBZPJMAJMJM-CYBMUJFWSA-N 2 1 206.333 1.898 40 0 BDABMP CCC[N@@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC000037098579 397968594 /nfs/dbraw/zinc/96/85/94/397968594.db2.gz HCZKBZPJMAJMJM-CYBMUJFWSA-N 2 1 206.333 1.898 40 0 BDABMP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000070026277 177050811 /nfs/dbraw/zinc/05/08/11/177050811.db2.gz HIOUSJAYXATCKX-GHMZBOCLSA-N 2 1 220.320 1.208 40 0 BDABMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000070026277 177050813 /nfs/dbraw/zinc/05/08/13/177050813.db2.gz HIOUSJAYXATCKX-GHMZBOCLSA-N 2 1 220.320 1.208 40 0 BDABMP CCC(CC)C[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096049049 168353397 /nfs/dbraw/zinc/35/33/97/168353397.db2.gz BCNQZMCUIPDWNB-AWEZNQCLSA-N 2 1 240.391 1.877 40 0 BDABMP CCC(CC)C[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096049049 168353400 /nfs/dbraw/zinc/35/34/00/168353400.db2.gz BCNQZMCUIPDWNB-AWEZNQCLSA-N 2 1 240.391 1.877 40 0 BDABMP CC[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242495887 259326241 /nfs/dbraw/zinc/32/62/41/259326241.db2.gz GROOQHFRWPFWFN-KGLIPLIRSA-N 2 1 218.344 1.898 40 0 BDABMP COc1c(C)c[nH+]c(CN2CCC([NH3+])CC2)c1C ZINC000019844381 342959269 /nfs/dbraw/zinc/95/92/69/342959269.db2.gz NZGDYSUBBFFPPB-UHFFFAOYSA-N 2 1 249.358 1.630 40 0 BDABMP CC[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515795 343757355 /nfs/dbraw/zinc/75/73/55/343757355.db2.gz KKBBBUBRGOOPKF-GXSJLCMTSA-N 2 1 234.347 1.903 40 0 BDABMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000101033551 344418567 /nfs/dbraw/zinc/41/85/67/344418567.db2.gz GLFBPDDMMVIVQJ-WCQYABFASA-N 2 1 204.317 1.713 40 0 BDABMP NC(=[NH2+])SC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000136515138 346238679 /nfs/dbraw/zinc/23/86/79/346238679.db2.gz XWYJFWSEMHIYBX-NXEZZACHSA-N 2 1 227.377 1.878 40 0 BDABMP C(C1CCCC1)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096049035 191055647 /nfs/dbraw/zinc/05/56/47/191055647.db2.gz ZUAYPYNRKUPFHA-AWEZNQCLSA-N 2 1 238.375 1.631 40 0 BDABMP C(C1CCCC1)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096049035 191055649 /nfs/dbraw/zinc/05/56/49/191055649.db2.gz ZUAYPYNRKUPFHA-AWEZNQCLSA-N 2 1 238.375 1.631 40 0 BDABMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1CC[NH3+] ZINC000079419011 188292324 /nfs/dbraw/zinc/29/23/24/188292324.db2.gz NDTDLOBXIYRUBZ-LBPRGKRZSA-N 2 1 213.369 1.140 40 0 BDABMP [NH3+]CC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC000079438615 181364775 /nfs/dbraw/zinc/36/47/75/181364775.db2.gz XVCCGJSSRAONBP-UHFFFAOYSA-N 2 1 238.356 1.602 40 0 BDABMP [NH3+]CCC(=O)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382564 181370214 /nfs/dbraw/zinc/37/02/14/181370214.db2.gz ANAXOBVFBZOIQA-NEPJUHHUSA-N 2 1 240.347 1.143 40 0 biogenic,in-vitro BDABMP CC(C)N(C[C@H]1CCCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407318 384136291 /nfs/dbraw/zinc/13/62/91/384136291.db2.gz MNSZNYKZAOELMJ-NWDGAFQWSA-N 2 1 241.379 1.055 40 0 BDABMP CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419466 384145484 /nfs/dbraw/zinc/14/54/84/384145484.db2.gz SJWCBRSIHPELSO-SDDRHHMPSA-N 2 1 241.379 1.101 40 0 BDABMP CCCCN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000096523738 385266374 /nfs/dbraw/zinc/26/63/74/385266374.db2.gz JAMWDRDQPMECBO-UHFFFAOYSA-N 2 1 241.423 1.923 40 0 BDABMP CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004129041 387562315 /nfs/dbraw/zinc/56/23/15/387562315.db2.gz DIQREXVGAWIWBR-YFKTTZPYSA-N 2 1 214.353 1.076 40 0 BDABMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020705 388611084 /nfs/dbraw/zinc/61/10/84/388611084.db2.gz SRGZXIQVTVCGOL-LOWVWBTDSA-N 2 1 226.364 1.077 40 0 BDABMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873493 388585701 /nfs/dbraw/zinc/58/57/01/388585701.db2.gz FBZYASFAIZMFDP-RYUDHWBXSA-N 2 1 208.280 1.795 40 0 BDABMP CC(C)OC1CC[NH+](C(C)(C)C[NH3+])CC1 ZINC000252478819 388652394 /nfs/dbraw/zinc/65/23/94/388652394.db2.gz AVNCNLVTQGMWCE-UHFFFAOYSA-N 2 1 214.353 1.613 40 0 BDABMP CNc1cc(C)[nH+]c([C@@H]2C[NH2+]CCO2)c1 ZINC000257342056 388698032 /nfs/dbraw/zinc/69/80/32/388698032.db2.gz ZMWVRWQHGJLVKL-NSHDSACASA-N 2 1 207.277 1.093 40 0 BDABMP Nc1ccc(N2CC[NH2+]CC2)c2cc[nH+]cc12 ZINC000019721739 132326211 /nfs/dbraw/zinc/32/62/11/132326211.db2.gz CIVPANDBEFVUOR-UHFFFAOYSA-N 2 1 228.299 1.227 40 0 BDABMP COc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000011888371 175328261 /nfs/dbraw/zinc/32/82/61/175328261.db2.gz NDMLOMNKVNVUMR-LBPRGKRZSA-N 2 1 234.343 1.866 40 0 BDABMP [NH3+][C@@H](CC[NH+]1CCCCC1)CN1CCCCC1 ZINC000019366564 342946702 /nfs/dbraw/zinc/94/67/02/342946702.db2.gz NTCMQIAVHJSZET-AWEZNQCLSA-N 2 1 239.407 1.676 40 0 BDABMP NC(=[NH2+])SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000136515103 346238497 /nfs/dbraw/zinc/23/84/97/346238497.db2.gz XWYJFWSEMHIYBX-VHSXEESVSA-N 2 1 227.377 1.878 40 0 BDABMP CC(C)[N@@H+](C)C[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096224938 191055910 /nfs/dbraw/zinc/05/59/10/191055910.db2.gz QSHKGPUACNBDMU-ZDUSSCGKSA-N 2 1 240.391 1.875 40 0 BDABMP CC(C)[N@@H+](C)C[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096224939 191055991 /nfs/dbraw/zinc/05/59/91/191055991.db2.gz QSHKGPUACNBDMU-CYBMUJFWSA-N 2 1 240.391 1.875 40 0 BDABMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc[nH]n1 ZINC000105442660 180266285 /nfs/dbraw/zinc/26/62/85/180266285.db2.gz PRRMDOKRQSALNR-JTQLQIEISA-N 2 1 233.319 1.341 40 0 BDABMP CN1CCC([N@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000019505607 356720900 /nfs/dbraw/zinc/72/09/00/356720900.db2.gz DJNLEQIRDJCRKS-LBPRGKRZSA-N 2 1 225.380 1.012 40 0 BDABMP CN1CCC([N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000019505607 356720903 /nfs/dbraw/zinc/72/09/03/356720903.db2.gz DJNLEQIRDJCRKS-LBPRGKRZSA-N 2 1 225.380 1.012 40 0 BDABMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(C)COC2)CC1 ZINC000429531332 201111654 /nfs/dbraw/zinc/11/16/54/201111654.db2.gz RIAQFVBCUFZUSM-LBPRGKRZSA-N 2 1 226.364 1.439 40 0 BDABMP c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H](C3)C2)cc1 ZINC000000405306 383865773 /nfs/dbraw/zinc/86/57/73/383865773.db2.gz KAAITWOSDOCHEH-OKILXGFUSA-N 2 1 216.328 1.728 40 0 BDABMP [NH3+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC000100134607 384288842 /nfs/dbraw/zinc/28/88/42/384288842.db2.gz LBYALFWGJOLWMN-OKILXGFUSA-N 2 1 237.391 1.284 40 0 BDABMP [NH3+][C@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000102226981 384701054 /nfs/dbraw/zinc/70/10/54/384701054.db2.gz HNIYDVDUPHDDRF-AAEUAGOBSA-N 2 1 202.301 1.707 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@@](C)(CC)[NH+](CC)CC ZINC000072210433 385067272 /nfs/dbraw/zinc/06/72/72/385067272.db2.gz IXTGTFBYFGOFFI-DGCLKSJQSA-N 2 1 244.379 1.635 40 0 BDABMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCCC[NH3+] ZINC000064219636 385246838 /nfs/dbraw/zinc/24/68/38/385246838.db2.gz XREMTGLZTIREIM-SECBINFHSA-N 2 1 216.325 1.175 40 0 BDABMP CCCn1nc(C)cc1C[N@@H+](C)CCCC[NH3+] ZINC000096523775 385266840 /nfs/dbraw/zinc/26/68/40/385266840.db2.gz KAVGVOWTKYFWBM-UHFFFAOYSA-N 2 1 238.379 1.772 40 0 BDABMP CC(C)(C)OC(=O)[C@@H]([NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000088247616 386947593 /nfs/dbraw/zinc/94/75/93/386947593.db2.gz HXRMBJYKFKADGB-UWVGGRQHSA-N 2 1 228.336 1.045 40 0 BDABMP CC(C)[NH+]1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919038 387450126 /nfs/dbraw/zinc/45/01/26/387450126.db2.gz JUJAOJHPGBFSSZ-AWEZNQCLSA-N 2 1 239.407 1.402 40 0 BDABMP CCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282291 387891855 /nfs/dbraw/zinc/89/18/55/387891855.db2.gz RFKSRMYGPKPMDX-PHIMTYICSA-N 2 1 220.316 1.493 40 0 BDABMP CCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282291 387891858 /nfs/dbraw/zinc/89/18/58/387891858.db2.gz RFKSRMYGPKPMDX-PHIMTYICSA-N 2 1 220.316 1.493 40 0 BDABMP C[N@H+]1CCCN(CC2([NH3+])CCCCC2)CC1 ZINC000020217805 173013334 /nfs/dbraw/zinc/01/33/34/173013334.db2.gz PJJVVESCTBSWDG-UHFFFAOYSA-N 2 1 225.380 1.286 40 0 BDABMP COc1ccc(CCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041301838 175089322 /nfs/dbraw/zinc/08/93/22/175089322.db2.gz UXNPQFBHHVEGNE-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP COc1ccc(CCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041301838 175089323 /nfs/dbraw/zinc/08/93/23/175089323.db2.gz UXNPQFBHHVEGNE-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000083017746 175183513 /nfs/dbraw/zinc/18/35/13/175183513.db2.gz HKMUZIJDOFHNOP-AAEUAGOBSA-N 2 1 220.316 1.299 40 0 BDABMP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1C ZINC000038539696 490186595 /nfs/dbraw/zinc/18/65/95/490186595.db2.gz WKSLXYCTQDBDDR-UHFFFAOYSA-N 2 1 234.343 1.927 40 0 BDABMP CC[C@H](N)c1noc(CN(CC)CC)n1 ZINC000070453697 259313775 /nfs/dbraw/zinc/31/37/75/259313775.db2.gz SPMCEKQNMMJYIM-QMMMGPOBSA-N 2 1 212.297 1.321 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@@H](C(C)C)[NH+](CC)CC ZINC000072210498 259316935 /nfs/dbraw/zinc/31/69/35/259316935.db2.gz GBNKWVMMVXFDQT-NWDGAFQWSA-N 2 1 244.379 1.491 40 0 BDABMP CC[NH+](CC)CC[C@@H]1C[N@@H+](C)Cc2ccnn21 ZINC000585112266 344136695 /nfs/dbraw/zinc/13/66/95/344136695.db2.gz MGUDGYAHPGLCLO-CYBMUJFWSA-N 2 1 236.363 1.602 40 0 BDABMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CC[NH+](C)C2 ZINC000096255843 191055933 /nfs/dbraw/zinc/05/59/33/191055933.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP CC(C)[NH+](C)Cc1[nH]nc2c1CC[N@H+](C)C2 ZINC000096255843 191055936 /nfs/dbraw/zinc/05/59/36/191055936.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP CC(C)[NH+](C)Cc1[nH]nc2c1CC[N@@H+](C)C2 ZINC000096255843 191055937 /nfs/dbraw/zinc/05/59/37/191055937.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP CC(C)[N@H+](C)Cc1n[nH]c2c1CC[NH+](C)C2 ZINC000096255843 191055940 /nfs/dbraw/zinc/05/59/40/191055940.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP CC(C)[N@@H+](C)Cc1n[nH]c2c1CC[NH+](C)C2 ZINC000096255843 191055942 /nfs/dbraw/zinc/05/59/42/191055942.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP CC(C)[NH+](C)Cc1n[nH]c2c1CC[N@H+](C)C2 ZINC000096255843 191055944 /nfs/dbraw/zinc/05/59/44/191055944.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP CC(C)[NH+](C)Cc1n[nH]c2c1CC[N@@H+](C)C2 ZINC000096255843 191055947 /nfs/dbraw/zinc/05/59/47/191055947.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 1 222.336 1.238 40 0 BDABMP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000072344150 180230045 /nfs/dbraw/zinc/23/00/45/180230045.db2.gz RBXMYSRTWDJWDD-LLVKDONJSA-N 2 1 243.314 1.438 40 0 BDABMP C[N@@H+]1CCCSCCSCCC[NH2+]CC1 ZINC000068604429 188304795 /nfs/dbraw/zinc/30/47/95/188304795.db2.gz PLMDYMIBCKXLEQ-UHFFFAOYSA-N 2 1 248.461 1.768 40 0 BDABMP C[N@H+]1CCCSCCSCCC[NH2+]CC1 ZINC000068604429 188304797 /nfs/dbraw/zinc/30/47/97/188304797.db2.gz PLMDYMIBCKXLEQ-UHFFFAOYSA-N 2 1 248.461 1.768 40 0 BDABMP FC(F)(F)[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000393778579 359684975 /nfs/dbraw/zinc/68/49/75/359684975.db2.gz PZQMKTYYZQOQLZ-MRVPVSSYSA-N 2 1 222.254 1.623 40 0 BDABMP FC(F)(F)[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000393778579 359684978 /nfs/dbraw/zinc/68/49/78/359684978.db2.gz PZQMKTYYZQOQLZ-MRVPVSSYSA-N 2 1 222.254 1.623 40 0 BDABMP [NH3+]CC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC000090608708 181364366 /nfs/dbraw/zinc/36/43/66/181364366.db2.gz ANFFEGIUXFJRJN-UHFFFAOYSA-N 2 1 202.301 1.777 40 0 BDABMP CN(CC[NH3+])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393562 384133907 /nfs/dbraw/zinc/13/39/07/384133907.db2.gz HMTWBNWPPYHXGB-OAHLLOKOSA-N 2 1 247.386 1.399 40 0 BDABMP [NH3+][C@H]1C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000076646001 384233789 /nfs/dbraw/zinc/23/37/89/384233789.db2.gz HRHOQWHMSDKGIB-UONOGXRCSA-N 2 1 216.328 2.000 40 0 BDABMP CC[N@@H+](CCC(N)=[NH2+])Cc1ccccc1 ZINC000020486560 384618415 /nfs/dbraw/zinc/61/84/15/384618415.db2.gz GWICGDRSUPASOY-UHFFFAOYSA-N 2 1 205.305 1.835 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@](C)(CC)[NH+](CC)CC ZINC000072210430 385068553 /nfs/dbraw/zinc/06/85/53/385068553.db2.gz IXTGTFBYFGOFFI-AAEUAGOBSA-N 2 1 244.379 1.635 40 0 BDABMP [NH3+][C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096510435 385249233 /nfs/dbraw/zinc/24/92/33/385249233.db2.gz RAIBDTZTWBNGRW-HUUCEWRRSA-N 2 1 246.354 1.769 40 0 BDABMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000132239010 388357764 /nfs/dbraw/zinc/35/77/64/388357764.db2.gz YWOUFBRDUWRXKT-MNOVXSKESA-N 2 1 212.337 1.095 40 0 BDABMP COCC[N@H+](CCC[NH3+])Cc1cccs1 ZINC000096523780 174291076 /nfs/dbraw/zinc/29/10/76/174291076.db2.gz UCEAOXVYNOVRIZ-UHFFFAOYSA-N 2 1 228.361 1.545 40 0 BDABMP COCC[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000096523780 174291077 /nfs/dbraw/zinc/29/10/77/174291077.db2.gz UCEAOXVYNOVRIZ-UHFFFAOYSA-N 2 1 228.361 1.545 40 0 BDABMP CCn1ncc(C[N@@H+](C)CCCC[NH3+])c1C ZINC000096523770 172255245 /nfs/dbraw/zinc/25/52/45/172255245.db2.gz XUDBXVMTCWPZTQ-UHFFFAOYSA-N 2 1 224.352 1.382 40 0 BDABMP C[NH+]1CCC[C@H]1C[C@H](O)C[C@H]1CCC[N@@H+]1C ZINC000257556144 173057977 /nfs/dbraw/zinc/05/79/77/173057977.db2.gz UOJNOOLFFFFKNA-CLLJXQQHSA-N 2 1 226.364 1.316 40 0 BDABMP C[NH+]1CCC[C@@H]1C[C@@H](O)C[C@@H]1CCC[N@@H+]1C ZINC000257556144 173057980 /nfs/dbraw/zinc/05/79/80/173057980.db2.gz UOJNOOLFFFFKNA-CLLJXQQHSA-N 2 1 226.364 1.316 40 0 BDABMP C[NH+]1CCC[C@@H]1C[C@@H](O)C[C@@H]1CCC[N@H+]1C ZINC000257556144 173057983 /nfs/dbraw/zinc/05/79/83/173057983.db2.gz UOJNOOLFFFFKNA-CLLJXQQHSA-N 2 1 226.364 1.316 40 0 BDABMP C[NH2+]CCC[NH2+]Cc1cc(C)ccc1OC ZINC000095094945 173348616 /nfs/dbraw/zinc/34/86/16/173348616.db2.gz BKICDSCKHFLDIZ-UHFFFAOYSA-N 2 1 222.332 1.703 40 0 BDABMP CCN(CC)Cc1nc([C@H](N)C(C)C)no1 ZINC000070453695 259313781 /nfs/dbraw/zinc/31/37/81/259313781.db2.gz GAUIVOCASWXRMS-SNVBAGLBSA-N 2 1 226.324 1.567 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])[C@@H](C(C)C)[NH+]1CCCC1 ZINC000072210500 259316786 /nfs/dbraw/zinc/31/67/86/259316786.db2.gz WZCJBBPBXGAPGC-VXGBXAGGSA-N 2 1 242.363 1.245 40 0 BDABMP CC(C)(N)c1noc(CN2CCCCC2)n1 ZINC000043401994 342794344 /nfs/dbraw/zinc/79/43/44/342794344.db2.gz AYRAARIEKIGAPS-UHFFFAOYSA-N 2 1 224.308 1.249 40 0 BDABMP CCOc1ccccc1[C@@H]1C[NH2+]C[C@@H]1[NH3+] ZINC000396828553 343810920 /nfs/dbraw/zinc/81/09/20/343810920.db2.gz OXGKTTPGTUEUOF-QWRGUYRKSA-N 2 1 206.289 1.099 40 0 BDABMP C[N@H+](CCc1ccncc1)CC[C@H]1CCC[NH2+]C1 ZINC000051919455 259371970 /nfs/dbraw/zinc/37/19/70/259371970.db2.gz XWJOMHZYWXMGLI-OAHLLOKOSA-N 2 1 247.386 1.946 40 0 BDABMP Nc1cccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)[nH+]1 ZINC000205681076 348573500 /nfs/dbraw/zinc/57/35/00/348573500.db2.gz LHNLTNNRVNIAFW-NSHDSACASA-N 2 1 247.342 1.365 40 0 BDABMP C1CC([N@H+]2CCCNCC2)CCS1 ZINC000042335288 352627000 /nfs/dbraw/zinc/62/70/00/352627000.db2.gz DFJCBZNQKRSIET-UHFFFAOYSA-N 2 1 200.351 1.177 40 0 BDABMP C1CC(N2CCC[NH2+]CC2)CCS1 ZINC000042335288 352627004 /nfs/dbraw/zinc/62/70/04/352627004.db2.gz DFJCBZNQKRSIET-UHFFFAOYSA-N 2 1 200.351 1.177 40 0 BDABMP CC(C)[N@H+](CCO)C[C@H]1CCC[NH+](C)C1 ZINC000079406064 188291948 /nfs/dbraw/zinc/29/19/48/188291948.db2.gz IAWBPFTVCDODPO-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[N@@H+](CCO)C[C@H]1CCC[NH+](C)C1 ZINC000079406064 188291951 /nfs/dbraw/zinc/29/19/51/188291951.db2.gz IAWBPFTVCDODPO-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](CCO)C[C@H]1CCC[N@H+](C)C1 ZINC000079406064 188291954 /nfs/dbraw/zinc/29/19/54/188291954.db2.gz IAWBPFTVCDODPO-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](CCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000079406064 188291955 /nfs/dbraw/zinc/29/19/55/188291955.db2.gz IAWBPFTVCDODPO-LBPRGKRZSA-N 2 1 214.353 1.031 40 0 BDABMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1F ZINC000067802662 188304595 /nfs/dbraw/zinc/30/45/95/188304595.db2.gz NZQYOTZLNYTRSV-UHFFFAOYSA-N 2 1 238.306 1.676 40 0 BDABMP [NH3+]CCOC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079390674 181399410 /nfs/dbraw/zinc/39/94/10/181399410.db2.gz TVTJYNDURJBHRQ-CQSZACIVSA-N 2 1 234.343 1.484 40 0 BDABMP Cc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000082929026 384605176 /nfs/dbraw/zinc/60/51/76/384605176.db2.gz UTTGTIYNDWGBEC-STQMWFEESA-N 2 1 204.317 1.599 40 0 BDABMP CCCC[N@@H+](C)C[C@H]([NH3+])CCSC ZINC000096523856 385268426 /nfs/dbraw/zinc/26/84/26/385268426.db2.gz XYXCYZPHXHFOHR-SNVBAGLBSA-N 2 1 204.383 1.799 40 0 BDABMP C[N@@H+](C[C@H](O)C[NH2+]C1CC1)C1CCCCC1 ZINC000036950401 385825736 /nfs/dbraw/zinc/82/57/36/385825736.db2.gz FHOSPTNVHXYWAO-CYBMUJFWSA-N 2 1 226.364 1.364 40 0 BDABMP CCCN(C)C[C@@H]([NH3+])Cc1ccccc1 ZINC000037098580 397968351 /nfs/dbraw/zinc/96/83/51/397968351.db2.gz HCZKBZPJMAJMJM-ZDUSSCGKSA-N 2 1 206.333 1.898 40 0 BDABMP CCC[N@H+](C)C[C@@H]([NH3+])Cc1ccccc1 ZINC000037098580 397968354 /nfs/dbraw/zinc/96/83/54/397968354.db2.gz HCZKBZPJMAJMJM-ZDUSSCGKSA-N 2 1 206.333 1.898 40 0 BDABMP CCC[N@@H+](C)C[C@@H]([NH3+])Cc1ccccc1 ZINC000037098580 397968359 /nfs/dbraw/zinc/96/83/59/397968359.db2.gz HCZKBZPJMAJMJM-ZDUSSCGKSA-N 2 1 206.333 1.898 40 0 BDABMP C[C@H](NCC[NH+](C)C)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863008 397976538 /nfs/dbraw/zinc/97/65/38/397976538.db2.gz ZLWXLJFFWVRCEU-MJBXVCDLSA-N 2 1 239.407 1.401 40 0 BDABMP C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000083046963 173192710 /nfs/dbraw/zinc/19/27/10/173192710.db2.gz WZBGXWRNEQOOCJ-JQWIXIFHSA-N 2 1 224.735 1.944 40 0 BDABMP C[NH2+]C[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000035225628 173376064 /nfs/dbraw/zinc/37/60/64/173376064.db2.gz HNXYRQIWABISIU-SNVBAGLBSA-N 2 1 203.289 1.257 40 0 BDABMP COc1ccc(OC)c2c(NCC[NH3+])cc[nH+]c12 ZINC000222682250 175170033 /nfs/dbraw/zinc/17/00/33/175170033.db2.gz HLSUEHLMPHXONT-UHFFFAOYSA-N 2 1 247.298 1.623 40 0 BDABMP COc1ccc2c(c1)[C@@H]([NH3+])CC[N@@H+](C)C2 ZINC000096509718 175214446 /nfs/dbraw/zinc/21/44/46/175214446.db2.gz AOPHWVIXVXBXFU-LBPRGKRZSA-N 2 1 206.289 1.531 40 0 BDABMP COc1ccc2c(c1)[C@@H]([NH3+])CC[N@H+](C)C2 ZINC000096509718 175214447 /nfs/dbraw/zinc/21/44/47/175214447.db2.gz AOPHWVIXVXBXFU-LBPRGKRZSA-N 2 1 206.289 1.531 40 0 BDABMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000026895810 176306333 /nfs/dbraw/zinc/30/63/33/176306333.db2.gz GLFBPDDMMVIVQJ-YPMHNXCESA-N 2 1 204.317 1.713 40 0 BDABMP C[C@@H]1C[C@H](NCCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000102761560 177238702 /nfs/dbraw/zinc/23/87/02/177238702.db2.gz ZFMHJCHHDNGZAM-XQQFMLRXSA-N 2 1 227.396 1.256 40 0 BDABMP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000102761560 177238703 /nfs/dbraw/zinc/23/87/03/177238703.db2.gz ZFMHJCHHDNGZAM-XQQFMLRXSA-N 3 1 227.396 1.256 40 0 BDABMP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000102761560 177238704 /nfs/dbraw/zinc/23/87/04/177238704.db2.gz ZFMHJCHHDNGZAM-XQQFMLRXSA-N 3 1 227.396 1.256 40 0 BDABMP C[N@H+]1CCC[C@@]2(C[NH+]=C(c3ccccc3)N2)C1 ZINC000242687719 259326257 /nfs/dbraw/zinc/32/62/57/259326257.db2.gz USIKDRAAQPBJKJ-CQSZACIVSA-N 2 1 229.327 1.501 40 0 BDABMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218854925 398328853 /nfs/dbraw/zinc/32/88/53/398328853.db2.gz BVKHEYIEIBVHII-RYUDHWBXSA-N 2 1 248.326 1.775 40 0 BDABMP Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(C[NH3+])C2)c1 ZINC000096509109 343755048 /nfs/dbraw/zinc/75/50/48/343755048.db2.gz CNRWJJZHBABOCP-KBPBESRZSA-N 2 1 216.328 1.776 40 0 BDABMP NC(=[NH2+])SC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000020459214 181192759 /nfs/dbraw/zinc/19/27/59/181192759.db2.gz XWYJFWSEMHIYBX-ZJUUUORDSA-N 2 1 227.377 1.878 40 0 BDABMP NC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000035677097 383865583 /nfs/dbraw/zinc/86/55/83/383865583.db2.gz PZUVTQYOKUMPDY-QMMMGPOBSA-N 2 1 204.195 1.664 40 0 BDABMP C[N@H+]1CCCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000034679433 383983440 /nfs/dbraw/zinc/98/34/40/383983440.db2.gz HXTIUFSYBPDPFX-AWEZNQCLSA-N 2 1 233.359 1.324 40 0 BDABMP C[N@@H+](CCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393491 384134063 /nfs/dbraw/zinc/13/40/63/384134063.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](CCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393491 384134066 /nfs/dbraw/zinc/13/40/66/384134066.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 2 1 248.370 1.433 40 0 BDABMP C[NH+](CCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393491 384134069 /nfs/dbraw/zinc/13/40/69/384134069.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 2 1 248.370 1.433 40 0 BDABMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079414502 384135343 /nfs/dbraw/zinc/13/53/43/384135343.db2.gz VPGCATPJUSKIPV-HNNXBMFYSA-N 2 1 247.386 1.542 40 0 BDABMP CC[N@@H+](CCN)C1CCC([NH+](C)C)CC1 ZINC000079406235 384137850 /nfs/dbraw/zinc/13/78/50/384137850.db2.gz IAQUTXYNYZIKAY-UHFFFAOYSA-N 2 1 213.369 1.140 40 0 BDABMP CCN(CC[NH3+])C1CCC([NH+](C)C)CC1 ZINC000079406235 384137857 /nfs/dbraw/zinc/13/78/57/384137857.db2.gz IAQUTXYNYZIKAY-UHFFFAOYSA-N 2 1 213.369 1.140 40 0 BDABMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079419444 384143455 /nfs/dbraw/zinc/14/34/55/384143455.db2.gz KAQCAABGQLDDHF-RYUDHWBXSA-N 2 1 241.379 1.055 40 0 BDABMP CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419458 384144032 /nfs/dbraw/zinc/14/40/32/384144032.db2.gz SJWCBRSIHPELSO-SRVKXCTJSA-N 2 1 241.379 1.101 40 0 BDABMP CC[N@@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178511 384279686 /nfs/dbraw/zinc/27/96/86/384279686.db2.gz IAQUTXYNYZIKAY-TXEJJXNPSA-N 2 1 213.369 1.140 40 0 BDABMP CCN(CC[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178511 384279694 /nfs/dbraw/zinc/27/96/94/384279694.db2.gz IAQUTXYNYZIKAY-TXEJJXNPSA-N 2 1 213.369 1.140 40 0 BDABMP CC(C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000100177628 384284298 /nfs/dbraw/zinc/28/42/98/384284298.db2.gz NNXHCQLIIHFSJI-SDDRHHMPSA-N 2 1 241.379 1.101 40 0 BDABMP CCCC[N@@H+](C)Cc1c(C[NH3+])cnn1C ZINC000408715518 384702005 /nfs/dbraw/zinc/70/20/05/384702005.db2.gz BKQKXEXGIMCESE-UHFFFAOYSA-N 2 1 210.325 1.111 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@](C)(CC)[NH+]1CCCC1 ZINC000072210436 385066402 /nfs/dbraw/zinc/06/64/02/385066402.db2.gz DDUUSFCOUXACEG-YPMHNXCESA-N 2 1 242.363 1.389 40 0 BDABMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218872000 386427448 /nfs/dbraw/zinc/42/74/48/386427448.db2.gz SWMLYUSDTCZHHV-WDEREUQCSA-N 2 1 234.299 1.385 40 0 BDABMP Cn1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000124703028 386680026 /nfs/dbraw/zinc/68/00/26/386680026.db2.gz DWWJRXIYRTUOAW-PWSUYJOCSA-N 2 1 222.336 1.027 40 0 BDABMP CCn1cc(C[N@@H+](CC)CCCCC[NH3+])cn1 ZINC000096523838 387039776 /nfs/dbraw/zinc/03/97/76/387039776.db2.gz OHZLFPSFWAEHGI-UHFFFAOYSA-N 2 1 238.379 1.854 40 0 BDABMP C[NH2+]CCC[NH2+]Cc1ccccc1OC ZINC000057362442 173349491 /nfs/dbraw/zinc/34/94/91/173349491.db2.gz XIRCJZZAXJOJRL-UHFFFAOYSA-N 2 1 208.305 1.394 40 0 BDABMP C[NH2+]CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000008377126 173349779 /nfs/dbraw/zinc/34/97/79/173349779.db2.gz LHLNPWPYTLKPQF-UHFFFAOYSA-N 2 1 238.331 1.403 40 0 BDABMP C[NH2+]C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000096509385 173371935 /nfs/dbraw/zinc/37/19/35/173371935.db2.gz GGQRXWZCRLVXAI-LSDHHAIUSA-N 2 1 230.355 1.900 40 0 BDABMP COCC[N@H+]1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257310119 174313089 /nfs/dbraw/zinc/31/30/89/174313089.db2.gz UDTKXOPPLHVMDV-SNVBAGLBSA-N 2 1 209.293 1.154 40 0 BDABMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218872273 175112238 /nfs/dbraw/zinc/11/22/38/175112238.db2.gz QSSMZORTYZYQMX-OLZOCXBDSA-N 2 1 220.316 1.665 40 0 BDABMP [NH3+]C[C@H]1[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]12 ZINC000253614663 527242081 /nfs/dbraw/zinc/24/20/81/527242081.db2.gz BPTZIVDEXNNJCR-ZSBIGDGJSA-N 2 1 220.291 1.462 40 0 BDABMP CN1CCC([N@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000019505606 356720836 /nfs/dbraw/zinc/72/08/36/356720836.db2.gz DJNLEQIRDJCRKS-GFCCVEGCSA-N 2 1 225.380 1.012 40 0 BDABMP CN1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000019505606 356720838 /nfs/dbraw/zinc/72/08/38/356720838.db2.gz DJNLEQIRDJCRKS-GFCCVEGCSA-N 2 1 225.380 1.012 40 0 BDABMP CCOc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041301939 358759173 /nfs/dbraw/zinc/75/91/73/358759173.db2.gz SNFOURPZAJXWBG-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP CCOc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041301939 358759176 /nfs/dbraw/zinc/75/91/76/358759176.db2.gz SNFOURPZAJXWBG-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP NNC(=[NH2+])SC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000017610759 363886552 /nfs/dbraw/zinc/88/65/52/363886552.db2.gz DRDOXVYPEAAFMZ-UWVGGRQHSA-N 2 1 242.392 1.382 40 0 BDABMP CSCCC[NH2+]CC[NH2+]CCCSC ZINC000068605025 384002011 /nfs/dbraw/zinc/00/20/11/384002011.db2.gz OVKVRVFFKUFRIO-UHFFFAOYSA-N 2 1 236.450 1.672 40 0 BDABMP Cc1ccc(F)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000067802666 384166484 /nfs/dbraw/zinc/16/64/84/384166484.db2.gz ZYCHJPYIPHRXQD-UHFFFAOYSA-N 2 1 222.307 1.976 40 0 BDABMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH+]2C)C1 ZINC000225528444 385082490 /nfs/dbraw/zinc/08/24/90/385082490.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 2 1 226.364 1.173 40 0 BDABMP C[C@H](O)C[NH+]1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000225528444 385082499 /nfs/dbraw/zinc/08/24/99/385082499.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 2 1 226.364 1.173 40 0 BDABMP C[C@H](O)C[NH+]1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000225528444 385082506 /nfs/dbraw/zinc/08/25/06/385082506.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 2 1 226.364 1.173 40 0 BDABMP CSCC[C@H]([NH3+])C[NH+]1CCCCCC1 ZINC000096523854 385268036 /nfs/dbraw/zinc/26/80/36/385268036.db2.gz NRNUYOIZDFSDNH-NSHDSACASA-N 2 1 216.394 1.943 40 0 BDABMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306136207 385992273 /nfs/dbraw/zinc/99/22/73/385992273.db2.gz PMQYJEUFNLHXIQ-GFCCVEGCSA-N 2 1 212.337 1.097 40 0 BDABMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218871855 386363704 /nfs/dbraw/zinc/36/37/04/386363704.db2.gz SWMLYUSDTCZHHV-QWRGUYRKSA-N 2 1 234.299 1.385 40 0 BDABMP [NH3+]C[C@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000247634472 386725954 /nfs/dbraw/zinc/72/59/54/386725954.db2.gz DADZZUVKEHQCEL-CLLJXQQHSA-N 2 1 236.746 1.977 40 0 BDABMP [NH3+]C[C@@H]1[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC000247650441 386730065 /nfs/dbraw/zinc/73/00/65/386730065.db2.gz MTVLERFBUUMJEA-ZSOGYDGISA-N 2 1 216.328 1.366 40 0 BDABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000248156225 386746260 /nfs/dbraw/zinc/74/62/60/386746260.db2.gz ZEFJJZJDPDVJSI-VHDGCEQUSA-N 2 1 245.370 1.902 40 0 BDABMP C[N@@H+](CCCCC[NH3+])CCc1ccccn1 ZINC000049580634 386797924 /nfs/dbraw/zinc/79/79/24/386797924.db2.gz QTVKPRWMKKDLMC-UHFFFAOYSA-N 2 1 221.348 1.685 40 0 BDABMP CC[NH+](CC)CCC[NH2+]Cc1cnn(C)c1C ZINC000093649224 387849662 /nfs/dbraw/zinc/84/96/62/387849662.db2.gz KLCYSCHACQEQFV-UHFFFAOYSA-N 2 1 238.379 1.550 40 0 BDABMP [NH3+]C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000110748792 388649998 /nfs/dbraw/zinc/64/99/98/388649998.db2.gz BNOXARHBBQKXRU-UONOGXRCSA-N 2 1 216.328 1.640 40 0 BDABMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011888331 388711324 /nfs/dbraw/zinc/71/13/24/388711324.db2.gz OTPUDEQDIQZGOD-NSHDSACASA-N 2 1 222.307 1.996 40 0 BDABMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011888331 388711326 /nfs/dbraw/zinc/71/13/26/388711326.db2.gz OTPUDEQDIQZGOD-NSHDSACASA-N 2 1 222.307 1.996 40 0 BDABMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000096227981 173003337 /nfs/dbraw/zinc/00/33/37/173003337.db2.gz BDYZAKFUVSPTOY-UHFFFAOYSA-N 2 1 248.374 1.480 40 0 BDABMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccnc1)C2 ZINC000020524008 173206848 /nfs/dbraw/zinc/20/68/48/173206848.db2.gz ICMHXMJFPIFSGH-AGUYFDCRSA-N 2 1 231.343 1.796 40 0 BDABMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccnc1)C2 ZINC000020524008 173206852 /nfs/dbraw/zinc/20/68/52/173206852.db2.gz ICMHXMJFPIFSGH-AGUYFDCRSA-N 2 1 231.343 1.796 40 0 BDABMP COc1ccc(C)c2c(NCC[NH3+])cc[nH+]c12 ZINC000222682517 175070747 /nfs/dbraw/zinc/07/07/47/175070747.db2.gz ICNINXZGBPTDFZ-UHFFFAOYSA-N 2 1 231.299 1.922 40 0 BDABMP Cc1nn(C)cc1C[N@@H+](C)CCCCC[NH3+] ZINC000096523839 180373030 /nfs/dbraw/zinc/37/30/30/180373030.db2.gz WJCMGQXEMQWWDR-UHFFFAOYSA-N 2 1 224.352 1.289 40 0 BDABMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(N)=[NH2+] ZINC000114746301 355972494 /nfs/dbraw/zinc/97/24/94/355972494.db2.gz VTJULCNKQLRXFZ-ZYHUDNBSSA-N 2 1 217.316 1.690 40 0 BDABMP OCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264454 383866320 /nfs/dbraw/zinc/86/63/20/383866320.db2.gz OLMHHSBJCGAUHX-AWEZNQCLSA-N 2 1 234.343 1.090 40 0 BDABMP C[NH+](C)[C@H]1CC[C@H]([N@@H+](CCN)C2CC2)CC1 ZINC000100178502 384281345 /nfs/dbraw/zinc/28/13/45/384281345.db2.gz NLGHULVJSHLZHJ-TXEJJXNPSA-N 2 1 225.380 1.282 40 0 BDABMP C[NH+](C)[C@H]1CC[C@H](N(CC[NH3+])C2CC2)CC1 ZINC000100178502 384281350 /nfs/dbraw/zinc/28/13/50/384281350.db2.gz NLGHULVJSHLZHJ-TXEJJXNPSA-N 2 1 225.380 1.282 40 0 BDABMP Clc1c[nH+]ccc1NC1CC[NH2+]CC1 ZINC000086839707 385052922 /nfs/dbraw/zinc/05/29/22/385052922.db2.gz UGQLKXKZOZFUAR-UHFFFAOYSA-N 2 1 211.696 1.899 40 0 BDABMP CCn1cc(C[N@H+](CC)CCC[NH3+])c(C)n1 ZINC000096523783 385269737 /nfs/dbraw/zinc/26/97/37/385269737.db2.gz PMFFMBGDZCFIAO-UHFFFAOYSA-N 2 1 224.352 1.382 40 0 BDABMP CCn1cc(C[N@@H+](CC)CCC[NH3+])c(C)n1 ZINC000096523783 385269742 /nfs/dbraw/zinc/26/97/42/385269742.db2.gz PMFFMBGDZCFIAO-UHFFFAOYSA-N 2 1 224.352 1.382 40 0 BDABMP CCCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531566 385282595 /nfs/dbraw/zinc/28/25/95/385282595.db2.gz VNESTBPAKXKYRF-UHFFFAOYSA-N 2 1 212.337 1.241 40 0 BDABMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873420 386423918 /nfs/dbraw/zinc/42/39/18/386423918.db2.gz FBZYASFAIZMFDP-NEPJUHHUSA-N 2 1 208.280 1.795 40 0 BDABMP CC(C)(C)OC(=O)[C@H]([NH3+])C[C@H]1CCC[NH2+]C1 ZINC000088247618 386947615 /nfs/dbraw/zinc/94/76/15/386947615.db2.gz HXRMBJYKFKADGB-NXEZZACHSA-N 2 1 228.336 1.045 40 0 BDABMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C)CC2 ZINC000096242671 175206704 /nfs/dbraw/zinc/20/67/04/175206704.db2.gz KEPHKNSPIZVGST-UHFFFAOYSA-N 2 1 246.354 1.762 40 0 BDABMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C)CC2 ZINC000096242671 175206707 /nfs/dbraw/zinc/20/67/07/175206707.db2.gz KEPHKNSPIZVGST-UHFFFAOYSA-N 2 1 246.354 1.762 40 0 BDABMP C[C@@H]1C[C@@H](NCCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000102761558 177239542 /nfs/dbraw/zinc/23/95/42/177239542.db2.gz ZFMHJCHHDNGZAM-YNEHKIRRSA-N 2 1 227.396 1.256 40 0 BDABMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000102761558 177239544 /nfs/dbraw/zinc/23/95/44/177239544.db2.gz ZFMHJCHHDNGZAM-YNEHKIRRSA-N 3 1 227.396 1.256 40 0 BDABMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000102761558 177239546 /nfs/dbraw/zinc/23/95/46/177239546.db2.gz ZFMHJCHHDNGZAM-YNEHKIRRSA-N 3 1 227.396 1.256 40 0 BDABMP CC[C@@H](N)c1noc(CN(CC)CC)n1 ZINC000070453698 259313785 /nfs/dbraw/zinc/31/37/85/259313785.db2.gz SPMCEKQNMMJYIM-MRVPVSSYSA-N 2 1 212.297 1.321 40 0 BDABMP CC[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515796 343757496 /nfs/dbraw/zinc/75/74/96/343757496.db2.gz KKBBBUBRGOOPKF-ONGXEEELSA-N 2 1 234.347 1.903 40 0 BDABMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306220338 359340265 /nfs/dbraw/zinc/34/02/65/359340265.db2.gz HTUKXLQEYOWJFK-DTWKUNHWSA-N 2 1 204.264 1.455 40 0 BDABMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306220338 359340268 /nfs/dbraw/zinc/34/02/68/359340268.db2.gz HTUKXLQEYOWJFK-DTWKUNHWSA-N 2 1 204.264 1.455 40 0 BDABMP [NH3+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000090494811 181335077 /nfs/dbraw/zinc/33/50/77/181335077.db2.gz CLJKDNJPPDVEOJ-UHFFFAOYSA-N 2 1 210.708 1.877 40 0 BDABMP [NH3+]C1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000044029813 181343938 /nfs/dbraw/zinc/34/39/38/181343938.db2.gz RDAIZNZODBCOOG-UHFFFAOYSA-N 2 1 232.327 1.683 40 0 BDABMP CC[N@@H+](CCO)C1CCC([NH+](C)C)CC1 ZINC000079405986 384135639 /nfs/dbraw/zinc/13/56/39/384135639.db2.gz GEUFAFATOXRLKY-UHFFFAOYSA-N 2 1 214.353 1.173 40 0 BDABMP C[N@H+](Cc1ccccc1)C[C@H]1CCN(CC[NH3+])C1 ZINC000079414484 384136982 /nfs/dbraw/zinc/13/69/82/384136982.db2.gz REOHBHQDJUTFKI-OAHLLOKOSA-N 2 1 247.386 1.399 40 0 BDABMP C1CCC([N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC000096049052 384428983 /nfs/dbraw/zinc/42/89/83/384428983.db2.gz JLDMPYWQDGDBRT-CQSZACIVSA-N 2 1 238.375 1.774 40 0 BDABMP C1CCC([N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC000096049052 384428987 /nfs/dbraw/zinc/42/89/87/384428987.db2.gz JLDMPYWQDGDBRT-CQSZACIVSA-N 2 1 238.375 1.774 40 0 BDABMP [NH3+]C[C@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000100387879 384638341 /nfs/dbraw/zinc/63/83/41/384638341.db2.gz UNLBCCJUBAVNHR-CLLJXQQHSA-N 2 1 202.301 1.323 40 0 BDABMP C[C@H]1CCC[N@@H+](Cc2c(C[NH3+])cnn2C)C1 ZINC000408717218 384703492 /nfs/dbraw/zinc/70/34/92/384703492.db2.gz XAMLGUKIBATUAJ-JTQLQIEISA-N 2 1 222.336 1.111 40 0 BDABMP Cc1noc(C)c1CC[N@@H+](C)CCCC[NH3+] ZINC000096523765 385266699 /nfs/dbraw/zinc/26/66/99/385266699.db2.gz JAFSRBFBTDLCTB-UHFFFAOYSA-N 2 1 225.336 1.505 40 0 BDABMP NC[C@H](c1ccccn1)[NH+]1CCCCCC1 ZINC000019395040 385513650 /nfs/dbraw/zinc/51/36/50/385513650.db2.gz LQKHGGQOGXXYGW-CYBMUJFWSA-N 2 1 219.332 1.957 40 0 BDABMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306136208 385991508 /nfs/dbraw/zinc/99/15/08/385991508.db2.gz PMQYJEUFNLHXIQ-LBPRGKRZSA-N 2 1 212.337 1.097 40 0 BDABMP CC(C)[N@@H+](C)Cc1cnc2n1CCN[C@H]2C ZINC000107491733 388616801 /nfs/dbraw/zinc/61/68/01/388616801.db2.gz MGTIVKYUTVTQBE-JTQLQIEISA-N 2 1 222.336 1.388 40 0 BDABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH2+][C@H]2C ZINC000107491733 388616804 /nfs/dbraw/zinc/61/68/04/388616804.db2.gz MGTIVKYUTVTQBE-JTQLQIEISA-N 2 1 222.336 1.388 40 0 BDABMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873643 388585655 /nfs/dbraw/zinc/58/56/55/388585655.db2.gz FBZYASFAIZMFDP-NWDGAFQWSA-N 2 1 208.280 1.795 40 0 BDABMP [NH3+]CC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000029050937 132334397 /nfs/dbraw/zinc/33/43/97/132334397.db2.gz QCXQFRHFMCBJBN-UHFFFAOYSA-N 2 1 231.303 1.133 40 0 BDABMP CCn1cc(C[N@@H+](C)CCCCC[NH3+])c(C)n1 ZINC000096523841 172159944 /nfs/dbraw/zinc/15/99/44/172159944.db2.gz BWDLFIQUAIXNFS-UHFFFAOYSA-N 2 1 238.379 1.772 40 0 BDABMP CCn1nc(C)c(C[N@@H+](C)CCCC[NH3+])c1C ZINC000096523777 172245146 /nfs/dbraw/zinc/24/51/46/172245146.db2.gz GAZJVEBRWFJYJB-UHFFFAOYSA-N 2 1 238.379 1.691 40 0 BDABMP CN1CCC[N@@H+](CC2CCC(C[NH3+])CC2)CC1 ZINC000093426163 173015110 /nfs/dbraw/zinc/01/51/10/173015110.db2.gz BPPMPUXZZJJBQE-UHFFFAOYSA-N 2 1 239.407 1.389 40 0 BDABMP C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccc(Cl)cc2)C1 ZINC000083046965 173183438 /nfs/dbraw/zinc/18/34/38/173183438.db2.gz WZBGXWRNEQOOCJ-PWSUYJOCSA-N 2 1 224.735 1.944 40 0 BDABMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000253614662 527220926 /nfs/dbraw/zinc/22/09/26/527220926.db2.gz BPTZIVDEXNNJCR-CNDDSTCGSA-N 2 1 220.291 1.462 40 0 BDABMP Cc1cc(N(C)C)cc([C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000072386358 178095222 /nfs/dbraw/zinc/09/52/22/178095222.db2.gz ZGYUSKAEGQDCLW-NSHDSACASA-N 2 1 219.332 1.875 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@H](C(C)C)[NH+]1CCCC1 ZINC000072210501 259316906 /nfs/dbraw/zinc/31/69/06/259316906.db2.gz WZCJBBPBXGAPGC-RYUDHWBXSA-N 2 1 242.363 1.245 40 0 BDABMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218854999 398328880 /nfs/dbraw/zinc/32/88/80/398328880.db2.gz BVKHEYIEIBVHII-VXGBXAGGSA-N 2 1 248.326 1.775 40 0 BDABMP [NH3+][C@@H]1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000039343802 343388967 /nfs/dbraw/zinc/38/89/67/343388967.db2.gz HNIYDVDUPHDDRF-DGCLKSJQSA-N 2 1 202.301 1.707 40 0 BDABMP C[C@@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH+]2C)C1 ZINC000225528412 345246505 /nfs/dbraw/zinc/24/65/05/345246505.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 2 1 226.364 1.173 40 0 BDABMP C[C@@H](O)C[NH+]1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000225528412 345246506 /nfs/dbraw/zinc/24/65/06/345246506.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 2 1 226.364 1.173 40 0 BDABMP C[C@@H](O)C[NH+]1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000225528412 345246508 /nfs/dbraw/zinc/24/65/08/345246508.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 2 1 226.364 1.173 40 0 BDABMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000074204493 347252436 /nfs/dbraw/zinc/25/24/36/347252436.db2.gz DPPPALZSPFEMNV-OLZOCXBDSA-N 2 1 204.317 1.508 40 0 BDABMP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000072344151 180230499 /nfs/dbraw/zinc/23/04/99/180230499.db2.gz RBXMYSRTWDJWDD-NSHDSACASA-N 2 1 243.314 1.438 40 0 BDABMP Nc1ccc(C[C@H]2COC3(C2)CC[NH2+]CC3)c[nH+]1 ZINC000205681107 368356175 /nfs/dbraw/zinc/35/61/75/368356175.db2.gz MXJNFFSRXPJSJH-GFCCVEGCSA-N 2 1 247.342 1.365 40 0 BDABMP Cc1[nH+]ccn1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000072355922 383840679 /nfs/dbraw/zinc/84/06/79/383840679.db2.gz MUNMMWDORYZCPR-UHFFFAOYSA-N 2 1 243.314 1.438 40 0 BDABMP CC(C)N(CC[NH3+])C[C@@H]1CCCC[N@H+]1C ZINC000079406290 384134867 /nfs/dbraw/zinc/13/48/67/384134867.db2.gz XIFUVZHNNRYTEM-LBPRGKRZSA-N 2 1 213.369 1.140 40 0 BDABMP CC(C)[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000036190236 384182220 /nfs/dbraw/zinc/18/22/20/384182220.db2.gz ZVZZARITUHLCNK-UHFFFAOYSA-N 2 1 227.396 1.532 40 0 BDABMP C[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591700 384195865 /nfs/dbraw/zinc/19/58/65/384195865.db2.gz IOOZHVUUMQVJIO-ZDUSSCGKSA-N 2 1 225.380 1.014 40 0 BDABMP Clc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000072203552 385056238 /nfs/dbraw/zinc/05/62/38/385056238.db2.gz UOEOFNWUBKKAJY-MRVPVSSYSA-N 2 1 245.779 1.886 40 0 BDABMP [NH3+]C[C@H]1C[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000096509401 385241465 /nfs/dbraw/zinc/24/14/65/385241465.db2.gz BNOXARHBBQKXRU-KGLIPLIRSA-N 2 1 216.328 1.640 40 0 BDABMP CN(C)CC[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC000096523778 385269631 /nfs/dbraw/zinc/26/96/31/385269631.db2.gz FJMPFQLLRSXHSS-UHFFFAOYSA-N 2 1 249.402 1.789 40 0 BDABMP C[NH+](C)CCN(CCCC[NH3+])Cc1ccccc1 ZINC000096523778 385269639 /nfs/dbraw/zinc/26/96/39/385269639.db2.gz FJMPFQLLRSXHSS-UHFFFAOYSA-N 2 1 249.402 1.789 40 0 BDABMP [NH3+]CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040693625 386233401 /nfs/dbraw/zinc/23/34/01/386233401.db2.gz QXDIVQWSHJJBRD-UHFFFAOYSA-N 2 1 239.407 1.676 40 0 BDABMP [NH3+]C[C@H]1[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000247650439 386730567 /nfs/dbraw/zinc/73/05/67/386730567.db2.gz MTVLERFBUUMJEA-BTTYYORXSA-N 2 1 216.328 1.366 40 0 BDABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CC1CC[NH2+]CC1 ZINC000071186784 388508959 /nfs/dbraw/zinc/50/89/59/388508959.db2.gz BGPALDULXGNAOL-JTQLQIEISA-N 2 1 228.336 1.045 40 0 BDABMP C[NH2+]C[C@H]1C[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000096509386 173382436 /nfs/dbraw/zinc/38/24/36/173382436.db2.gz GGQRXWZCRLVXAI-HUUCEWRRSA-N 2 1 230.355 1.900 40 0 BDABMP C[NH+](C)[C@H]1CC[C@H]([N@@H+](CCN)C2CC2)CC1 ZINC000242574943 522103980 /nfs/dbraw/zinc/10/39/80/522103980.db2.gz NLGHULVJSHLZHJ-HAQNSBGRSA-N 2 1 225.380 1.282 40 0 BDABMP C[NH+](C)[C@H]1CC[C@H](N(CC[NH3+])C2CC2)CC1 ZINC000242574943 522103990 /nfs/dbraw/zinc/10/39/90/522103990.db2.gz NLGHULVJSHLZHJ-HAQNSBGRSA-N 2 1 225.380 1.282 40 0 BDABMP CC(C)C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531587 343761444 /nfs/dbraw/zinc/76/14/44/343761444.db2.gz PNXDCYNSECDPBD-UHFFFAOYSA-N 2 1 212.337 1.097 40 0 BDABMP C[N@H+](CCc1ccccn1)CC[C@@H]1CCC[NH2+]C1 ZINC000051919409 259371818 /nfs/dbraw/zinc/37/18/18/259371818.db2.gz FPCCKTKTBHBPDX-AWEZNQCLSA-N 2 1 247.386 1.946 40 0 BDABMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccncc1)C2 ZINC000020524007 344457022 /nfs/dbraw/zinc/45/70/22/344457022.db2.gz MHLIXRSHBGDEJK-AGUYFDCRSA-N 2 1 231.343 1.796 40 0 BDABMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccncc1)C2 ZINC000020524007 344457024 /nfs/dbraw/zinc/45/70/24/344457024.db2.gz MHLIXRSHBGDEJK-AGUYFDCRSA-N 2 1 231.343 1.796 40 0 BDABMP Nc1ccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)c[nH+]1 ZINC000205681127 348573535 /nfs/dbraw/zinc/57/35/35/348573535.db2.gz MXJNFFSRXPJSJH-LBPRGKRZSA-N 2 1 247.342 1.365 40 0 BDABMP CC[NH+]1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918914 358100259 /nfs/dbraw/zinc/10/02/59/358100259.db2.gz SVNWUWKSUKFMLK-CYBMUJFWSA-N 2 1 225.380 1.014 40 0 BDABMP CC(C)[N@@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178176 384282603 /nfs/dbraw/zinc/28/26/03/384282603.db2.gz DBMZECQYIOLMJZ-BETUJISGSA-N 2 1 228.380 1.562 40 0 BDABMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282232 384324949 /nfs/dbraw/zinc/32/49/49/384324949.db2.gz BDRMEZWQCQXSOH-PHIMTYICSA-N 2 1 206.289 1.239 40 0 BDABMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282232 384324955 /nfs/dbraw/zinc/32/49/55/384324955.db2.gz BDRMEZWQCQXSOH-PHIMTYICSA-N 2 1 206.289 1.239 40 0 BDABMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000082380029 384675033 /nfs/dbraw/zinc/67/50/33/384675033.db2.gz WVCJHFSAQOVXDK-CYBMUJFWSA-N 2 1 204.317 2.000 40 0 BDABMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000082380029 384675042 /nfs/dbraw/zinc/67/50/42/384675042.db2.gz WVCJHFSAQOVXDK-CYBMUJFWSA-N 2 1 204.317 2.000 40 0 BDABMP [NH3+][C@H]1CC[N@H+](CCCn2cnc3ccccc32)C1 ZINC000096523479 385269351 /nfs/dbraw/zinc/26/93/51/385269351.db2.gz WELBYCAOOLNBGX-LBPRGKRZSA-N 2 1 244.342 1.459 40 0 BDABMP [NH3+][C@H]1CC[N@@H+](CCCn2cnc3ccccc32)C1 ZINC000096523479 385269356 /nfs/dbraw/zinc/26/93/56/385269356.db2.gz WELBYCAOOLNBGX-LBPRGKRZSA-N 2 1 244.342 1.459 40 0 BDABMP C1CC1[N@H+]1CCOC2(C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000397001566 385329889 /nfs/dbraw/zinc/32/98/89/385329889.db2.gz OCLMUYGZSNWUOP-QYJAPNMZSA-N 2 1 222.332 1.134 40 0 BDABMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218871794 386364194 /nfs/dbraw/zinc/36/41/94/386364194.db2.gz SWMLYUSDTCZHHV-MNOVXSKESA-N 2 1 234.299 1.385 40 0 BDABMP COCC[N@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257310118 174316508 /nfs/dbraw/zinc/31/65/08/174316508.db2.gz UDTKXOPPLHVMDV-JTQLQIEISA-N 2 1 209.293 1.154 40 0 BDABMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218872202 175110473 /nfs/dbraw/zinc/11/04/73/175110473.db2.gz QSSMZORTYZYQMX-CHWSQXEVSA-N 2 1 220.316 1.665 40 0 BDABMP COc1ccc([C@@H]2C[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000083017747 175183562 /nfs/dbraw/zinc/18/35/62/175183562.db2.gz HKMUZIJDOFHNOP-YPMHNXCESA-N 2 1 220.316 1.299 40 0 BDABMP COc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000011888376 175327510 /nfs/dbraw/zinc/32/75/10/175327510.db2.gz NDMLOMNKVNVUMR-GFCCVEGCSA-N 2 1 234.343 1.866 40 0 BDABMP COc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038040493 175329268 /nfs/dbraw/zinc/32/92/68/175329268.db2.gz AEFBWDCWTXVDSN-UHFFFAOYSA-N 2 1 220.316 1.537 40 0 BDABMP C[NH+](C)[C@H]1CC[C@H]([N@@H+](CCO)C2CC2)CC1 ZINC000242649216 522105645 /nfs/dbraw/zinc/10/56/45/522105645.db2.gz RWMPQWMWNWVMTC-HAQNSBGRSA-N 2 1 226.364 1.316 40 0 BDABMP CCOC(=O)[C@@H](C[NH3+])[C@H](C(C)C)[NH+](CC)CC ZINC000072210497 259316867 /nfs/dbraw/zinc/31/68/67/259316867.db2.gz GBNKWVMMVXFDQT-RYUDHWBXSA-N 2 1 244.379 1.491 40 0 BDABMP CC[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242495888 259326011 /nfs/dbraw/zinc/32/60/11/259326011.db2.gz GROOQHFRWPFWFN-UONOGXRCSA-N 2 1 218.344 1.898 40 0 BDABMP [NH3+][C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000110751565 398300813 /nfs/dbraw/zinc/30/08/13/398300813.db2.gz RAIBDTZTWBNGRW-LSDHHAIUSA-N 2 1 246.354 1.769 40 0 BDABMP NC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000035677128 383866130 /nfs/dbraw/zinc/86/61/30/383866130.db2.gz SWWWAQPDPMNNLH-MRVPVSSYSA-N 2 1 215.094 1.408 40 0 BDABMP c1csc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301023 383891242 /nfs/dbraw/zinc/89/12/42/383891242.db2.gz GFLIVYQHZNUSIV-AOOOYVTPSA-N 2 1 208.330 1.399 40 0 BDABMP CC(C)N(C[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407313 384135911 /nfs/dbraw/zinc/13/59/11/384135911.db2.gz MNSZNYKZAOELMJ-RYUDHWBXSA-N 2 1 241.379 1.055 40 0 BDABMP CC(C)[N@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC000079418511 384142367 /nfs/dbraw/zinc/14/23/67/384142367.db2.gz MQMHXTWQPOGGQF-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[N@@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC000079418511 384142373 /nfs/dbraw/zinc/14/23/73/384142373.db2.gz MQMHXTWQPOGGQF-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](C)C[C@H]1CCC[N@H+](CCO)C1 ZINC000079418511 384142380 /nfs/dbraw/zinc/14/23/80/384142380.db2.gz MQMHXTWQPOGGQF-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP CC(C)[NH+](C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000079418511 384142386 /nfs/dbraw/zinc/14/23/86/384142386.db2.gz MQMHXTWQPOGGQF-GFCCVEGCSA-N 2 1 214.353 1.031 40 0 BDABMP [NH3+]CCc1[nH+]c(C2CC2)n2ccccc12 ZINC000011569823 384418870 /nfs/dbraw/zinc/41/88/70/384418870.db2.gz PKORWKGOCZHQTR-UHFFFAOYSA-N 2 1 201.273 1.713 40 0 BDABMP COC[C@@H]1CC2(C[N@H+]1CC1CC1)CC[NH2+]CC2 ZINC000096220369 384442266 /nfs/dbraw/zinc/44/22/66/384442266.db2.gz JJJFSFGQFRGEPL-ZDUSSCGKSA-N 2 1 238.375 1.487 40 0 BDABMP C[C@@H]1CCC[N@@H+](Cc2c(C[NH3+])cnn2C)C1 ZINC000408717219 384705148 /nfs/dbraw/zinc/70/51/48/384705148.db2.gz XAMLGUKIBATUAJ-SNVBAGLBSA-N 2 1 222.336 1.111 40 0 BDABMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218871931 386428063 /nfs/dbraw/zinc/42/80/63/386428063.db2.gz SWMLYUSDTCZHHV-GHMZBOCLSA-N 2 1 234.299 1.385 40 0 BDABMP COC(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000067800556 398039929 /nfs/dbraw/zinc/03/99/29/398039929.db2.gz XDBOCAVQJXOCBY-UHFFFAOYSA-N 2 1 248.326 1.315 40 0 BDABMP COCCNc1ccc(C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000072386643 174340835 /nfs/dbraw/zinc/34/08/35/174340835.db2.gz HOPGJQRVJIPUPS-LBPRGKRZSA-N 2 1 249.358 1.682 40 0 BDABMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000096053716 175103148 /nfs/dbraw/zinc/10/31/48/175103148.db2.gz VEMAWGUTPASWMD-BETUJISGSA-N 2 1 232.327 1.346 40 0 BDABMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000096053716 175103150 /nfs/dbraw/zinc/10/31/50/175103150.db2.gz VEMAWGUTPASWMD-BETUJISGSA-N 2 1 232.327 1.346 40 0 BDABMP C[N@H+]1CCC[C@]2(C[NH+]=C(c3ccccc3)N2)C1 ZINC000242687718 259326020 /nfs/dbraw/zinc/32/60/20/259326020.db2.gz USIKDRAAQPBJKJ-AWEZNQCLSA-N 2 1 229.327 1.501 40 0 BDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414551 343400738 /nfs/dbraw/zinc/40/07/38/343400738.db2.gz MIOJMQKGNXNBQY-OAHLLOKOSA-N 2 1 247.386 1.542 40 0 BDABMP COC[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000396018106 343810850 /nfs/dbraw/zinc/81/08/50/343810850.db2.gz QXLKBMCYPBXAPU-LBPRGKRZSA-N 2 1 212.337 1.239 40 0 BDABMP NNC(=[NH2+])SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000585162727 344247469 /nfs/dbraw/zinc/24/74/69/344247469.db2.gz DRDOXVYPEAAFMZ-VHSXEESVSA-N 2 1 242.392 1.382 40 0 BDABMP Cc1nn(C)c(C)c1C[N@@H+](C)CCCC[NH3+] ZINC000096523774 180335432 /nfs/dbraw/zinc/33/54/32/180335432.db2.gz FJGKTUUTWNNLPF-UHFFFAOYSA-N 2 1 224.352 1.208 40 0 BDABMP COC[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000396018104 359799502 /nfs/dbraw/zinc/79/95/02/359799502.db2.gz QXLKBMCYPBXAPU-GFCCVEGCSA-N 2 1 212.337 1.239 40 0 BDABMP [NH3+]CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390684 181398917 /nfs/dbraw/zinc/39/89/17/181398917.db2.gz SDYPBBWJWPZUGW-OAHLLOKOSA-N 2 1 248.370 1.874 40 0 BDABMP [NH3+]Cc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000238856024 181482608 /nfs/dbraw/zinc/48/26/08/181482608.db2.gz UQNMTLIVIOFSQQ-HNNXBMFYSA-N 2 1 245.370 1.425 40 0 BDABMP CC(C)[N@H+](C)Cc1noc2c1C[NH2+]CC2 ZINC000096259794 384445491 /nfs/dbraw/zinc/44/54/91/384445491.db2.gz BJPKBLDZWNQSAJ-UHFFFAOYSA-N 2 1 209.293 1.161 40 0 BDABMP CC(C)[N@@H+](C)Cc1noc2c1C[NH2+]CC2 ZINC000096259794 384445496 /nfs/dbraw/zinc/44/54/96/384445496.db2.gz BJPKBLDZWNQSAJ-UHFFFAOYSA-N 2 1 209.293 1.161 40 0 BDABMP CCOC(=O)[C@H](C[NH3+])C(C)(C)[NH+](CC)CC ZINC000072210406 385067288 /nfs/dbraw/zinc/06/72/88/385067288.db2.gz IUKPPKDNBJULLZ-JTQLQIEISA-N 2 1 230.352 1.245 40 0 BDABMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253603495 387156838 /nfs/dbraw/zinc/15/68/38/387156838.db2.gz GLFBPDDMMVIVQJ-DGCLKSJQSA-N 2 1 204.317 1.713 40 0 BDABMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1C ZINC000125909752 387852145 /nfs/dbraw/zinc/85/21/45/387852145.db2.gz AEZQWIHTGZNWJY-UHFFFAOYSA-N 2 1 238.379 1.550 40 0 BDABMP C[C@@H](NCC[NH+](C)C)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863011 397976325 /nfs/dbraw/zinc/97/63/25/397976325.db2.gz ZLWXLJFFWVRCEU-MCIONIFRSA-N 2 1 239.407 1.401 40 0 BDABMP C[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515794 173058313 /nfs/dbraw/zinc/05/83/13/173058313.db2.gz ZVFZUUAVIAYGQA-WPRPVWTQSA-N 2 1 220.320 1.513 40 0 BDABMP COc1cccc(CCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041301836 175251482 /nfs/dbraw/zinc/25/14/82/175251482.db2.gz MSOIRQXKEDQAJH-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP COc1cccc(CCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000041301836 175251484 /nfs/dbraw/zinc/25/14/84/175251484.db2.gz MSOIRQXKEDQAJH-UHFFFAOYSA-N 2 1 248.370 1.923 40 0 BDABMP CC[N@@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242495419 521124160 /nfs/dbraw/zinc/12/41/60/521124160.db2.gz GEUFAFATOXRLKY-HAQNSBGRSA-N 2 1 214.353 1.173 40 0 BDABMP