smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NCCC[N@@H+]2CCC[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000091782393 180253655 /nfs/dbraw/zinc/25/36/55/180253655.db2.gz MGDBDEZDMWGGEJ-HNNXBMFYSA-N 2 2 292.427 1.908 50 0 CDAALP Cc1nc(NCCC[N@H+]2CCC[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000091782393 180253656 /nfs/dbraw/zinc/25/36/56/180253656.db2.gz MGDBDEZDMWGGEJ-HNNXBMFYSA-N 2 2 292.427 1.908 50 0 CDAALP Cc1[nH+]cnc(NCCC[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000091781034 180253969 /nfs/dbraw/zinc/25/39/69/180253969.db2.gz YJBRXXQFSCNQRV-CQSZACIVSA-N 2 2 278.400 1.742 50 0 CDAALP Cc1[nH+]cnc(NCCC[N@H+]2CCCC[C@@H]2CO)c1C ZINC000091781034 180253972 /nfs/dbraw/zinc/25/39/72/180253972.db2.gz YJBRXXQFSCNQRV-CQSZACIVSA-N 2 2 278.400 1.742 50 0 CDAALP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000097379047 356107245 /nfs/dbraw/zinc/10/72/45/356107245.db2.gz MFCLFWNXXGYDMO-LBPRGKRZSA-N 2 2 281.425 1.515 50 0 CDAALP Cc1cccc([C@@H](C(=O)NCCn2cc[nH+]c2)[NH+](C)C)c1 ZINC000065375900 357533305 /nfs/dbraw/zinc/53/33/05/357533305.db2.gz OBHYCEHWQVZHMT-HNNXBMFYSA-N 2 2 286.379 1.611 50 0 CDAALP CN(C)c1cc(N(C2CC2)C2CC[NH2+]CC2)nc[nH+]1 ZINC000618254095 358755689 /nfs/dbraw/zinc/75/56/89/358755689.db2.gz DJZXITPBEASASF-UHFFFAOYSA-N 2 2 261.373 1.263 50 0 CDAALP CN(C)c1cc(N(C2CC2)C2CC[NH2+]CC2)[nH+]cn1 ZINC000618254095 358755693 /nfs/dbraw/zinc/75/56/93/358755693.db2.gz DJZXITPBEASASF-UHFFFAOYSA-N 2 2 261.373 1.263 50 0 CDAALP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000097675481 358792672 /nfs/dbraw/zinc/79/26/72/358792672.db2.gz CKUGCDUQQNCSNU-CYBMUJFWSA-N 2 2 276.384 1.600 50 0 CDAALP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000097675481 358792675 /nfs/dbraw/zinc/79/26/75/358792675.db2.gz CKUGCDUQQNCSNU-CYBMUJFWSA-N 2 2 276.384 1.600 50 0 CDAALP Cc1cc(NCc2ccc[nH+]c2N)nc(C2CC2)[nH+]1 ZINC000408524029 359932224 /nfs/dbraw/zinc/93/22/24/359932224.db2.gz WZJNVYLEPZDITN-UHFFFAOYSA-N 2 2 255.325 1.674 50 0 CDAALP CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cn1 ZINC000426697295 360697380 /nfs/dbraw/zinc/69/73/80/360697380.db2.gz GKIRBNNECYAWDT-NMWPEEMBSA-N 2 2 273.380 1.663 50 0 CDAALP CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cn1 ZINC000426697295 360697384 /nfs/dbraw/zinc/69/73/84/360697384.db2.gz GKIRBNNECYAWDT-NMWPEEMBSA-N 2 2 273.380 1.663 50 0 CDAALP Cc1[nH+]c(CNC(=O)C[C@H]2CCCC[N@@H+]2C)n(C)c1C ZINC000426726746 360700131 /nfs/dbraw/zinc/70/01/31/360700131.db2.gz JOCCITCORKYRDC-CYBMUJFWSA-N 2 2 278.400 1.528 50 0 CDAALP Cc1[nH+]c(CNC(=O)C[C@H]2CCCC[N@H+]2C)n(C)c1C ZINC000426726746 360700137 /nfs/dbraw/zinc/70/01/37/360700137.db2.gz JOCCITCORKYRDC-CYBMUJFWSA-N 2 2 278.400 1.528 50 0 CDAALP CC(C)[NH2+]CC[NH+]1CCC(OC2CCOCC2)CC1 ZINC000241435203 369121920 /nfs/dbraw/zinc/12/19/20/369121920.db2.gz NLQFUVGVEVATFS-UHFFFAOYSA-N 2 2 270.417 1.644 50 0 CDAALP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3nccs3)C2)CC1 ZINC000367622492 369201897 /nfs/dbraw/zinc/20/18/97/369201897.db2.gz IFYWRZKSGNZWCX-AWEZNQCLSA-N 2 2 294.468 1.603 50 0 CDAALP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3nccs3)C2)CC1 ZINC000367622492 369201900 /nfs/dbraw/zinc/20/19/00/369201900.db2.gz IFYWRZKSGNZWCX-AWEZNQCLSA-N 2 2 294.468 1.603 50 0 CDAALP C[NH+](Cc1ccc(CO)o1)C[C@]1(C)CC[N@H+](C)C1 ZINC000670437740 482978676 /nfs/dbraw/zinc/97/86/76/482978676.db2.gz NZMQQVGOTQEAFW-CQSZACIVSA-N 2 2 252.358 1.546 50 0 CDAALP C[NH+](Cc1ccc(CO)o1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000670437740 482978682 /nfs/dbraw/zinc/97/86/82/482978682.db2.gz NZMQQVGOTQEAFW-CQSZACIVSA-N 2 2 252.358 1.546 50 0 CDAALP C[N@H+](Cc1ccc(CO)o1)C[C@]1(C)CC[NH+](C)C1 ZINC000670437740 482978667 /nfs/dbraw/zinc/97/86/67/482978667.db2.gz NZMQQVGOTQEAFW-CQSZACIVSA-N 2 2 252.358 1.546 50 0 CDAALP C[N@@H+](Cc1ccc(CO)o1)C[C@]1(C)CC[NH+](C)C1 ZINC000670437740 482978673 /nfs/dbraw/zinc/97/86/73/482978673.db2.gz NZMQQVGOTQEAFW-CQSZACIVSA-N 2 2 252.358 1.546 50 0 CDAALP COCc1noc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000331893920 204270176 /nfs/dbraw/zinc/27/01/76/204270176.db2.gz WHVUNIJXRLVOOK-SNVBAGLBSA-N 2 2 277.328 1.319 50 0 CDAALP COCc1noc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000331893920 204270180 /nfs/dbraw/zinc/27/01/80/204270180.db2.gz WHVUNIJXRLVOOK-SNVBAGLBSA-N 2 2 277.328 1.319 50 0 CDAALP C[Si](CC[NH+]1CC1)(CC[NH+]1CC1)c1ccccc1 ZINC000195791282 372972200 /nfs/dbraw/zinc/97/22/00/372972200.db2.gz ARIURAZTSRXJKY-UHFFFAOYSA-N 2 2 260.457 1.603 50 0 CDAALP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC000095401005 374906503 /nfs/dbraw/zinc/90/65/03/374906503.db2.gz QQYAUVXPQMZOJD-ZDUSSCGKSA-N 2 2 278.400 1.342 50 0 CDAALP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC000095401005 374906506 /nfs/dbraw/zinc/90/65/06/374906506.db2.gz QQYAUVXPQMZOJD-ZDUSSCGKSA-N 2 2 278.400 1.342 50 0 CDAALP CO[C@H]1CN(c2cc(C(C)C)[nH+]c(C)n2)CC[C@H]1[NH3+] ZINC000071763554 379634265 /nfs/dbraw/zinc/63/42/65/379634265.db2.gz IPFGATDERCWMOH-YPMHNXCESA-N 2 2 264.373 1.461 50 0 CDAALP Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc(C)[nH+]1 ZINC000096429722 390516380 /nfs/dbraw/zinc/51/63/80/390516380.db2.gz ARNQRIJCOPLCFS-AWEZNQCLSA-N 2 2 276.384 1.252 50 0 CDAALP Nc1nc(N2CCC(F)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223040828 295366756 /nfs/dbraw/zinc/36/67/56/295366756.db2.gz DZJCXFSNFWQPOZ-UHFFFAOYSA-N 2 2 265.336 1.202 50 0 CDAALP C[N@H+](CCC[C@@H]1CCCO1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072153831 678903863 /nfs/dbraw/zinc/90/38/63/678903863.db2.gz PBYWPJPDINUZQU-OAHLLOKOSA-N 2 2 278.400 1.377 50 0 CDAALP C[N@@H+](CCC[C@@H]1CCCO1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072153831 678903865 /nfs/dbraw/zinc/90/38/65/678903865.db2.gz PBYWPJPDINUZQU-OAHLLOKOSA-N 2 2 278.400 1.377 50 0 CDAALP Nc1nc(NCCCc2ccncc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222840439 230398527 /nfs/dbraw/zinc/39/85/27/230398527.db2.gz PTEYUIXMSYLLKJ-UHFFFAOYSA-N 2 2 298.394 1.703 50 0 CDAALP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000097200653 342217138 /nfs/dbraw/zinc/21/71/38/342217138.db2.gz QBQYGQJINRHXCR-JHJVBQTASA-N 2 2 275.352 1.519 50 0 CDAALP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000097200653 342217139 /nfs/dbraw/zinc/21/71/39/342217139.db2.gz QBQYGQJINRHXCR-JHJVBQTASA-N 2 2 275.352 1.519 50 0 CDAALP CCC[C@@H](CNc1nc(N(C)C)c(C)c[nH+]1)[NH+](C)C ZINC000584896867 349357978 /nfs/dbraw/zinc/35/79/78/349357978.db2.gz YUDCEUNFJOBJBH-LBPRGKRZSA-N 2 2 265.405 1.993 50 0 CDAALP CCOc1ccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)cc1 ZINC000000314668 355903575 /nfs/dbraw/zinc/90/35/75/355903575.db2.gz XABUHKCLFIROTA-UHFFFAOYSA-N 2 2 261.329 1.507 50 0 CDAALP COCC[N@@H+]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422078 357342377 /nfs/dbraw/zinc/34/23/77/357342377.db2.gz LGXAVSAEYBGXIJ-INIZCTEOSA-N 2 2 274.408 1.854 50 0 CDAALP COCC[N@H+]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422078 357342378 /nfs/dbraw/zinc/34/23/78/357342378.db2.gz LGXAVSAEYBGXIJ-INIZCTEOSA-N 2 2 274.408 1.854 50 0 CDAALP Cc1[nH]c2ccc(CC(=O)N[C@@H]3CC[C@@H]([NH3+])C3)cc2[nH+]1 ZINC000067975204 357642297 /nfs/dbraw/zinc/64/22/97/357642297.db2.gz ZKCIRFKEPKDUPC-VXGBXAGGSA-N 2 2 272.352 1.410 50 0 CDAALP Cc1[nH]c2cc(CC(=O)N[C@@H]3CC[C@@H]([NH3+])C3)ccc2[nH+]1 ZINC000067975204 357642303 /nfs/dbraw/zinc/64/23/03/357642303.db2.gz ZKCIRFKEPKDUPC-VXGBXAGGSA-N 2 2 272.352 1.410 50 0 CDAALP C[NH2+][C@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000178593907 189129678 /nfs/dbraw/zinc/12/96/78/189129678.db2.gz SNXLLBFQUGGENC-LBPRGKRZSA-N 2 2 272.352 1.087 50 0 CDAALP O=C(C1CCC1)N1CCc2[nH+]c[nH]c2C12CC[NH2+]CC2 ZINC000247874307 361206377 /nfs/dbraw/zinc/20/63/77/361206377.db2.gz NCOBLZMXAOGJJD-UHFFFAOYSA-N 2 2 274.368 1.173 50 0 CDAALP CC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C[C@H](C)O ZINC000107136557 373798456 /nfs/dbraw/zinc/79/84/56/373798456.db2.gz KSTFUXVVZPKJAJ-RYUDHWBXSA-N 2 2 289.383 1.239 50 0 CDAALP CC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1C[C@H](C)O ZINC000107136557 373798465 /nfs/dbraw/zinc/79/84/65/373798465.db2.gz KSTFUXVVZPKJAJ-RYUDHWBXSA-N 2 2 289.383 1.239 50 0 CDAALP Cc1c[nH+]c(N)nc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000091650019 135072664 /nfs/dbraw/zinc/07/26/64/135072664.db2.gz NMDXNAZJRQEBLL-UHFFFAOYSA-N 2 2 284.367 1.843 50 0 CDAALP CCC[NH+]1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000022455512 171388095 /nfs/dbraw/zinc/38/80/95/171388095.db2.gz LTHPORCSYRPGLH-UHFFFAOYSA-N 2 2 253.434 1.936 50 0 CDAALP CCCC(=O)NCCNc1cc(-n2cc[nH+]c2C)nc[nH+]1 ZINC000035598081 172287351 /nfs/dbraw/zinc/28/73/51/172287351.db2.gz GHXBFIWGHWCYCY-UHFFFAOYSA-N 2 2 288.355 1.299 50 0 CDAALP CCCn1cc[nH+]c1CN1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072156493 176328452 /nfs/dbraw/zinc/32/84/52/176328452.db2.gz HJKAPBPZLAFOEQ-GDBMZVCRSA-N 2 2 292.427 1.230 50 0 CDAALP Nc1ncccc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077379389 177260614 /nfs/dbraw/zinc/26/06/14/177260614.db2.gz XVXIUACZBBREIS-MRXNPFEDSA-N 2 2 290.411 1.087 50 0 CDAALP Nc1ncccc1C[N@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077379389 177260616 /nfs/dbraw/zinc/26/06/16/177260616.db2.gz XVXIUACZBBREIS-MRXNPFEDSA-N 2 2 290.411 1.087 50 0 CDAALP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000178285903 273967836 /nfs/dbraw/zinc/96/78/36/273967836.db2.gz NWNVRGRXGASSIN-GFCCVEGCSA-N 2 2 258.325 1.158 50 0 CDAALP Cc1nn(C)c2nc[nH+]c(NCCCCCC[NH3+])c12 ZINC000072438511 327110520 /nfs/dbraw/zinc/11/05/20/327110520.db2.gz ZZCIQHDOWORNKP-UHFFFAOYSA-N 2 2 262.361 1.603 50 0 CDAALP CCCCc1[nH]c(C[N@@H+]2CC[C@@H](CC(=O)NC)C2)c[nH+]1 ZINC000670433954 482967550 /nfs/dbraw/zinc/96/75/50/482967550.db2.gz RJXQDZFHPNHXEN-LBPRGKRZSA-N 2 2 278.400 1.710 50 0 CDAALP CCCCc1[nH]c(C[N@H+]2CC[C@@H](CC(=O)NC)C2)c[nH+]1 ZINC000670433954 482967553 /nfs/dbraw/zinc/96/75/53/482967553.db2.gz RJXQDZFHPNHXEN-LBPRGKRZSA-N 2 2 278.400 1.710 50 0 CDAALP CN(CCC[NH+]1CCOCC1)c1[nH+]cnc2[nH]ccc21 ZINC000670467211 483058133 /nfs/dbraw/zinc/05/81/33/483058133.db2.gz BNENFMMLHKSGGE-UHFFFAOYSA-N 2 2 275.356 1.116 50 0 CDAALP CC[NH+](CC)CCCNC(=O)N1CCc2[nH]c(C)[nH+]c2C1 ZINC000426495892 682384090 /nfs/dbraw/zinc/38/40/90/682384090.db2.gz XUJPBTALGUJOAR-UHFFFAOYSA-N 2 2 293.415 1.518 50 0 CDAALP CC[NH+](CC)CCCNC(=O)N1CCc2[nH+]c(C)[nH]c2C1 ZINC000426495892 682384101 /nfs/dbraw/zinc/38/41/01/682384101.db2.gz XUJPBTALGUJOAR-UHFFFAOYSA-N 2 2 293.415 1.518 50 0 CDAALP COc1ncc(C[N@H+](C)CCn2cc[nH+]c2C)cn1 ZINC000824851785 925839467 /nfs/dbraw/zinc/83/94/67/925839467.db2.gz HALSPEWIWSALGQ-UHFFFAOYSA-N 2 2 261.329 1.122 50 0 CDAALP COc1ncc(C[N@@H+](C)CCn2cc[nH+]c2C)cn1 ZINC000824851785 925839471 /nfs/dbraw/zinc/83/94/71/925839471.db2.gz HALSPEWIWSALGQ-UHFFFAOYSA-N 2 2 261.329 1.122 50 0 CDAALP Cc1[nH+]c(N)nc(NCC[N@@H+]2CCC[C@@H](CO)C2)c1Cl ZINC000828711179 926169156 /nfs/dbraw/zinc/16/91/56/926169156.db2.gz NGYZSOLDPQHTBH-SNVBAGLBSA-N 2 2 299.806 1.137 50 0 CDAALP Cc1[nH+]c(N)nc(NCC[N@H+]2CCC[C@@H](CO)C2)c1Cl ZINC000828711179 926169159 /nfs/dbraw/zinc/16/91/59/926169159.db2.gz NGYZSOLDPQHTBH-SNVBAGLBSA-N 2 2 299.806 1.137 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC001506402447 975150466 /nfs/dbraw/zinc/15/04/66/975150466.db2.gz NOXRADWJASNUSB-GFCCVEGCSA-N 2 2 287.367 1.338 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC001506402447 975150467 /nfs/dbraw/zinc/15/04/67/975150467.db2.gz NOXRADWJASNUSB-GFCCVEGCSA-N 2 2 287.367 1.338 50 0 CDAALP [NH3+][C@@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000050243253 365572499 /nfs/dbraw/zinc/57/24/99/365572499.db2.gz GQECXAZGOCZJAF-SNVBAGLBSA-N 2 2 250.733 1.521 50 0 CDAALP Nc1nc(NCCCc2cccnc2)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244773871 361861502 /nfs/dbraw/zinc/86/15/02/361861502.db2.gz PIEHJURSZLDBQR-JOCQHMNTSA-N 2 2 298.394 1.703 50 0 CDAALP CC1CC[NH+](CCCNC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000584888490 349347206 /nfs/dbraw/zinc/34/72/06/349347206.db2.gz UARHBBATXOTWRG-UHFFFAOYSA-N 2 2 293.415 1.673 50 0 CDAALP Cc1cc(F)cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091914963 180286193 /nfs/dbraw/zinc/28/61/93/180286193.db2.gz DGRPCLUZKQLHNZ-HUUCEWRRSA-N 2 2 280.387 1.736 50 0 CDAALP Cc1cc(F)cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091914963 180286195 /nfs/dbraw/zinc/28/61/95/180286195.db2.gz DGRPCLUZKQLHNZ-HUUCEWRRSA-N 2 2 280.387 1.736 50 0 CDAALP CN(CCC[NH+](C)C)c1cc(NC2CC2)[nH+]c(N)n1 ZINC000065394115 357535996 /nfs/dbraw/zinc/53/59/96/357535996.db2.gz AWUGTFRHNIEDFH-UHFFFAOYSA-N 2 2 264.377 1.021 50 0 CDAALP CN(CCC[NH+](C)C)c1cc(NC2CC2)nc(N)[nH+]1 ZINC000065394115 357535998 /nfs/dbraw/zinc/53/59/98/357535998.db2.gz AWUGTFRHNIEDFH-UHFFFAOYSA-N 2 2 264.377 1.021 50 0 CDAALP Cc1cc(F)ccc1NC(=O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000067818666 357628904 /nfs/dbraw/zinc/62/89/04/357628904.db2.gz PTNXDMAQRXCVMG-LBPRGKRZSA-N 2 2 290.342 1.947 50 0 CDAALP c1cc2ccc(N3CC[NH+](CCn4cc[nH+]c4)CC3)nc2[nH]1 ZINC000072462575 357837080 /nfs/dbraw/zinc/83/70/80/357837080.db2.gz OBJKWHVEIWTYAH-UHFFFAOYSA-N 2 2 296.378 1.582 50 0 CDAALP Cc1[nH+]cnc(NCC2([NH+](C)C)CCOCC2)c1C ZINC000095358549 358684778 /nfs/dbraw/zinc/68/47/78/358684778.db2.gz PREQXJXNAZPNBQ-UHFFFAOYSA-N 2 2 264.373 1.616 50 0 CDAALP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000248160861 361289187 /nfs/dbraw/zinc/28/91/87/361289187.db2.gz LGKZVCBBCHTRHM-UONOGXRCSA-N 2 2 290.411 1.579 50 0 CDAALP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000248160861 361289190 /nfs/dbraw/zinc/28/91/90/361289190.db2.gz LGKZVCBBCHTRHM-UONOGXRCSA-N 2 2 290.411 1.579 50 0 CDAALP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)[nH]n1 ZINC000670455415 483028523 /nfs/dbraw/zinc/02/85/23/483028523.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 2 2 250.390 1.880 50 0 CDAALP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)[nH]n1 ZINC000670455415 483028530 /nfs/dbraw/zinc/02/85/30/483028530.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 2 2 250.390 1.880 50 0 CDAALP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)[nH]n1 ZINC000670455415 483028538 /nfs/dbraw/zinc/02/85/38/483028538.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 2 2 250.390 1.880 50 0 CDAALP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)[nH]n1 ZINC000670455415 483028543 /nfs/dbraw/zinc/02/85/43/483028543.db2.gz IWIVPJHXZVGUGY-LBPRGKRZSA-N 2 2 250.390 1.880 50 0 CDAALP CC(C)C[NH+]1CCC([NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000095423588 393148498 /nfs/dbraw/zinc/14/84/98/393148498.db2.gz KNAOSYALZVLYKG-UHFFFAOYSA-N 2 2 290.473 1.520 50 0 CDAALP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000585093602 482828895 /nfs/dbraw/zinc/82/88/95/482828895.db2.gz KEQQHIKEKHCBOC-OAHLLOKOSA-N 2 2 278.400 1.246 50 0 CDAALP Nc1cc(-c2cc3c(c(F)c2)O[C@@H](C[NH3+])C3)cc[nH+]1 ZINC000067789493 684904518 /nfs/dbraw/zinc/90/45/18/684904518.db2.gz OCKAPYWOAZXUPL-LLVKDONJSA-N 2 2 259.284 1.732 50 0 CDAALP Cc1[nH+]c(N)nc(NC[C@@H]2CCCC[N@H+]2C)c1Cl ZINC001506409042 975153241 /nfs/dbraw/zinc/15/32/41/975153241.db2.gz ODUFVUATBBXRCP-VIFPVBQESA-N 2 2 269.780 1.917 50 0 CDAALP Cc1[nH+]c(N)nc(NC[C@@H]2CCCC[N@@H+]2C)c1Cl ZINC001506409042 975153246 /nfs/dbraw/zinc/15/32/46/975153246.db2.gz ODUFVUATBBXRCP-VIFPVBQESA-N 2 2 269.780 1.917 50 0 CDAALP c1c[nH+]c(CC[NH2+][C@@H]2CCN(c3ccccc3)C2)[nH]1 ZINC001506418394 975156983 /nfs/dbraw/zinc/15/69/83/975156983.db2.gz XNDDXDYHSKOLPQ-CYBMUJFWSA-N 2 2 256.353 1.821 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428312 975162030 /nfs/dbraw/zinc/16/20/30/975162030.db2.gz PXFIOUNQOJRUBC-ZQDZILKHSA-N 3 2 276.428 1.573 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428312 975162032 /nfs/dbraw/zinc/16/20/32/975162032.db2.gz PXFIOUNQOJRUBC-ZQDZILKHSA-N 3 2 276.428 1.573 50 0 CDAALP c1cc(CC[NH+]2CCC([NH+]3CCOCC3)CC2)ccn1 ZINC000585116279 362043503 /nfs/dbraw/zinc/04/35/03/362043503.db2.gz OSYCTDNSJHKJRO-UHFFFAOYSA-N 2 2 275.396 1.421 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000585117549 362046364 /nfs/dbraw/zinc/04/63/64/362046364.db2.gz LFRLBLBTBNEXCR-DZGCQCFKSA-N 2 2 275.396 1.969 50 0 CDAALP Cc1cc(N2CCN(c3cccc[nH+]3)CC2)nc(C)[nH+]1 ZINC000033935001 362259964 /nfs/dbraw/zinc/25/99/64/362259964.db2.gz PAPMRONHMBVEIK-UHFFFAOYSA-N 2 2 269.352 1.815 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000584896030 349357218 /nfs/dbraw/zinc/35/72/18/349357218.db2.gz LGFMOHMSYUYQEX-GFCCVEGCSA-N 3 2 261.373 1.629 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCCCC[N@@H+]2C)[nH+]1 ZINC000091535072 180182082 /nfs/dbraw/zinc/18/20/82/180182082.db2.gz JGXYGGPWGDEONK-GFCCVEGCSA-N 2 2 264.373 1.551 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCCCC[N@H+]2C)[nH+]1 ZINC000091535072 180182083 /nfs/dbraw/zinc/18/20/83/180182083.db2.gz JGXYGGPWGDEONK-GFCCVEGCSA-N 2 2 264.373 1.551 50 0 CDAALP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1O ZINC000015423800 356415540 /nfs/dbraw/zinc/41/55/40/356415540.db2.gz FUBMOVYOFWIFLM-UHFFFAOYSA-N 2 2 250.342 1.714 50 0 CDAALP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097475446 358778962 /nfs/dbraw/zinc/77/89/62/358778962.db2.gz GKKJCBZTYNPOKB-KGLIPLIRSA-N 2 2 270.380 1.827 50 0 CDAALP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097475446 358778964 /nfs/dbraw/zinc/77/89/64/358778964.db2.gz GKKJCBZTYNPOKB-KGLIPLIRSA-N 2 2 270.380 1.827 50 0 CDAALP Cc1cccc(N2CCC([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CC2)c1C ZINC000426677765 360695739 /nfs/dbraw/zinc/69/57/39/360695739.db2.gz ROQNBEAVBBIQLN-NVXWUHKLSA-N 2 2 289.423 1.276 50 0 CDAALP Cc1cccc(N2CCC([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CC2)c1C ZINC000426677765 360695747 /nfs/dbraw/zinc/69/57/47/360695747.db2.gz ROQNBEAVBBIQLN-NVXWUHKLSA-N 2 2 289.423 1.276 50 0 CDAALP O=C(c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1)N1CCCC1 ZINC000071278754 296207887 /nfs/dbraw/zinc/20/78/87/296207887.db2.gz WRWFNNINSCENTH-INIZCTEOSA-N 2 2 287.407 1.764 50 0 CDAALP CCc1c[nH+]c(N)nc1N(C)CCCc1[nH+]ccn1C ZINC000095387385 374896820 /nfs/dbraw/zinc/89/68/20/374896820.db2.gz WFFKOKRSJSJUEQ-UHFFFAOYSA-N 2 2 274.372 1.424 50 0 CDAALP [NH2+]=c1n(CCO)c2ccccc2n1CC[NH+]1CCCCC1 ZINC000004794063 170018300 /nfs/dbraw/zinc/01/83/00/170018300.db2.gz MJKQHDSLMAFJOR-UHFFFAOYSA-N 2 2 288.395 1.400 50 0 CDAALP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000037813980 173761923 /nfs/dbraw/zinc/76/19/23/173761923.db2.gz SMSNMKWUHPHENS-GFCCVEGCSA-N 2 2 264.373 1.285 50 0 CDAALP C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C[C@H]21 ZINC000077503847 177276146 /nfs/dbraw/zinc/27/61/46/177276146.db2.gz VFHWNFYMFUYPJU-LSDHHAIUSA-N 2 2 296.374 1.853 50 0 CDAALP C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C[C@H]21 ZINC000077503847 177276148 /nfs/dbraw/zinc/27/61/48/177276148.db2.gz VFHWNFYMFUYPJU-LSDHHAIUSA-N 2 2 296.374 1.853 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077505878 177276240 /nfs/dbraw/zinc/27/62/40/177276240.db2.gz VYZKZZACHREVBV-HNNXBMFYSA-N 2 2 278.400 1.141 50 0 CDAALP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000262758824 278312732 /nfs/dbraw/zinc/31/27/32/278312732.db2.gz PVXXYQHDFPBGBJ-YPMHNXCESA-N 2 2 272.352 1.676 50 0 CDAALP Cc1cc(C(N)=O)c(N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]c1C ZINC000534632450 328332020 /nfs/dbraw/zinc/33/20/20/328332020.db2.gz AUOFLRKQJDHMCF-MRXNPFEDSA-N 2 2 288.395 1.377 50 0 CDAALP CCn1ccnc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000083843633 323207297 /nfs/dbraw/zinc/20/72/97/323207297.db2.gz LGOCWKVHEQELPQ-LBPRGKRZSA-N 2 2 259.357 1.767 50 0 CDAALP Cc1n[nH]cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000097159291 567904984 /nfs/dbraw/zinc/90/49/84/567904984.db2.gz LGZGUOTUVUSZNN-UHFFFAOYSA-N 2 2 268.324 1.589 50 0 CDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H](C)[NH+](C)C ZINC000426551744 688490166 /nfs/dbraw/zinc/49/01/66/688490166.db2.gz CZWULQVBKLTIQG-SNVBAGLBSA-N 2 2 270.402 1.018 50 0 CDAALP CC(C)Nc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC000067885141 936620396 /nfs/dbraw/zinc/62/03/96/936620396.db2.gz WPDRMEDVEGLHMG-HNNXBMFYSA-N 2 2 275.400 1.877 50 0 CDAALP CC(C)Nc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC000067885141 936620397 /nfs/dbraw/zinc/62/03/97/936620397.db2.gz WPDRMEDVEGLHMG-HNNXBMFYSA-N 2 2 275.400 1.877 50 0 CDAALP Cc1nonc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000585089989 930920029 /nfs/dbraw/zinc/92/00/29/930920029.db2.gz WVTGMKGFSZBLQB-UHFFFAOYSA-N 2 2 273.340 1.485 50 0 CDAALP Cc1nonc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000585089989 930920037 /nfs/dbraw/zinc/92/00/37/930920037.db2.gz WVTGMKGFSZBLQB-UHFFFAOYSA-N 2 2 273.340 1.485 50 0 CDAALP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000244873070 361866489 /nfs/dbraw/zinc/86/64/89/361866489.db2.gz WJNZECWVYANNOZ-ZIAGYGMSSA-N 2 2 290.411 1.343 50 0 CDAALP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000244873070 361866490 /nfs/dbraw/zinc/86/64/90/361866490.db2.gz WJNZECWVYANNOZ-ZIAGYGMSSA-N 2 2 290.411 1.343 50 0 CDAALP [NH3+]C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000178581627 362246926 /nfs/dbraw/zinc/24/69/26/362246926.db2.gz XQXWUNKUCQUVFF-GFCCVEGCSA-N 2 2 270.336 1.293 50 0 CDAALP CCC[C@H](CNc1nc(N(C)C)c(C)c[nH+]1)[NH+](C)C ZINC000584896866 349358435 /nfs/dbraw/zinc/35/84/35/349358435.db2.gz YUDCEUNFJOBJBH-GFCCVEGCSA-N 2 2 265.405 1.993 50 0 CDAALP O=C1CCC2(CC[NH2+]CC2)CN1CCCc1[nH]cc[nH+]1 ZINC000091644516 180214876 /nfs/dbraw/zinc/21/48/76/180214876.db2.gz OBFDVOIKJQDJIP-UHFFFAOYSA-N 2 2 276.384 1.335 50 0 CDAALP CCn1cc[nH+]c1C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000091931063 180288180 /nfs/dbraw/zinc/28/81/80/180288180.db2.gz HVEGRAWWWGPISN-UHFFFAOYSA-N 2 2 264.373 1.171 50 0 CDAALP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000067740770 356007241 /nfs/dbraw/zinc/00/72/41/356007241.db2.gz WSIUJQUKNRFNAR-INIZCTEOSA-N 2 2 270.380 1.773 50 0 CDAALP Cn1cc[nH+]c1[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000019735767 356498093 /nfs/dbraw/zinc/49/80/93/356498093.db2.gz BISLYFJHPWWIIU-AWEZNQCLSA-N 2 2 256.353 1.415 50 0 CDAALP c1n[nH]cc1CCC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000032553506 356782698 /nfs/dbraw/zinc/78/26/98/356782698.db2.gz JUDBQYSXZHEMQZ-UHFFFAOYSA-N 2 2 294.468 1.856 50 0 CDAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)CCC2 ZINC000084257766 357120782 /nfs/dbraw/zinc/12/07/82/357120782.db2.gz LGXQDCOBIBFFOI-HNNXBMFYSA-N 2 2 298.390 1.958 50 0 CDAALP CCCc1nc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC000065410268 357539259 /nfs/dbraw/zinc/53/92/59/357539259.db2.gz CEFZUFWDTOIMAW-KBPBESRZSA-N 2 2 290.411 1.383 50 0 CDAALP O[C@@]1(C[NH2+]Cc2coc(-c3ccccc3)n2)CC[NH2+]C1 ZINC000072426234 357834672 /nfs/dbraw/zinc/83/46/72/357834672.db2.gz KUGYOZXVEXPTSF-HNNXBMFYSA-N 2 2 273.336 1.156 50 0 CDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](C)C1 ZINC000072474882 357837885 /nfs/dbraw/zinc/83/78/85/357837885.db2.gz RXIQZSQYKYEZLW-LBPRGKRZSA-N 2 2 263.389 1.220 50 0 CDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072474882 357837890 /nfs/dbraw/zinc/83/78/90/357837890.db2.gz RXIQZSQYKYEZLW-LBPRGKRZSA-N 2 2 263.389 1.220 50 0 CDAALP Cn1c[nH+]cc1-c1ccc(OCCC[NH+](C)C)nc1 ZINC000096153706 358710257 /nfs/dbraw/zinc/71/02/57/358710257.db2.gz ATGJPWGWSCAMQT-UHFFFAOYSA-N 2 2 260.341 1.813 50 0 CDAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000097619547 358788258 /nfs/dbraw/zinc/78/82/58/358788258.db2.gz ZFYQNPVVVRSVDY-ZDUSSCGKSA-N 2 2 278.400 1.641 50 0 CDAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000097619547 358788259 /nfs/dbraw/zinc/78/82/59/358788259.db2.gz ZFYQNPVVVRSVDY-ZDUSSCGKSA-N 2 2 278.400 1.641 50 0 CDAALP c1cncc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097766850 358797925 /nfs/dbraw/zinc/79/79/25/358797925.db2.gz ATFCXTIPWYGGOR-MRXNPFEDSA-N 2 2 275.396 1.768 50 0 CDAALP CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)nc1 ZINC000215485660 358891526 /nfs/dbraw/zinc/89/15/26/358891526.db2.gz ROESBPAAMSFGEH-KRWDZBQOSA-N 2 2 288.439 1.466 50 0 CDAALP Cc1[nH+]ccn1[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000426580715 360685110 /nfs/dbraw/zinc/68/51/10/360685110.db2.gz IVCICWBQVRNAMM-NSHDSACASA-N 2 2 261.329 1.156 50 0 CDAALP [NH3+]CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178719193 189139857 /nfs/dbraw/zinc/13/98/57/189139857.db2.gz BQAYKDRXDYNPEB-UHFFFAOYSA-N 2 2 270.336 1.784 50 0 CDAALP CC(C)=CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000096489099 393187169 /nfs/dbraw/zinc/18/71/69/393187169.db2.gz FOHYRMPEJKLCIR-CQSZACIVSA-N 2 2 265.401 1.367 50 0 CDAALP CC(C)=CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000096489099 393187175 /nfs/dbraw/zinc/18/71/75/393187175.db2.gz FOHYRMPEJKLCIR-CQSZACIVSA-N 2 2 265.401 1.367 50 0 CDAALP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000193443495 393341631 /nfs/dbraw/zinc/34/16/31/393341631.db2.gz STKSFKJAMMUNRG-AWEZNQCLSA-N 2 2 283.460 1.859 50 0 CDAALP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000193443495 393341635 /nfs/dbraw/zinc/34/16/35/393341635.db2.gz STKSFKJAMMUNRG-AWEZNQCLSA-N 2 2 283.460 1.859 50 0 CDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccncc2)C1 ZINC000077503990 177276112 /nfs/dbraw/zinc/27/61/12/177276112.db2.gz JOUJIJHPSIEXJL-INIZCTEOSA-N 2 2 275.396 1.504 50 0 CDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccncc2)C1 ZINC000077503990 177276114 /nfs/dbraw/zinc/27/61/14/177276114.db2.gz JOUJIJHPSIEXJL-INIZCTEOSA-N 2 2 275.396 1.504 50 0 CDAALP Cc1nc(NC[C@@H](O)C[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000091365226 293228721 /nfs/dbraw/zinc/22/87/21/293228721.db2.gz NJHFZWVGXSMXKD-CQSZACIVSA-N 2 2 278.400 1.661 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395364874 1159633433 /nfs/dbraw/zinc/63/34/33/1159633433.db2.gz YPCXKSDYQDOKOW-LBPRGKRZSA-N 2 2 251.374 1.446 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395364874 1159633436 /nfs/dbraw/zinc/63/34/36/1159633436.db2.gz YPCXKSDYQDOKOW-LBPRGKRZSA-N 2 2 251.374 1.446 50 0 CDAALP Cc1[nH+]c(CN2CCC([NH+](C)C)CC2)n(C)c1C ZINC000670459226 483041024 /nfs/dbraw/zinc/04/10/24/483041024.db2.gz TUFIORKSAJEXHW-UHFFFAOYSA-N 2 2 250.390 1.563 50 0 CDAALP Cc1cc(C)n(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2)n1 ZINC001506416663 975155255 /nfs/dbraw/zinc/15/52/55/975155255.db2.gz KLMBRDKOHTWFQS-CYBMUJFWSA-N 2 2 261.373 1.765 50 0 CDAALP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)Cn1cc[nH+]c1 ZINC000096446805 230374818 /nfs/dbraw/zinc/37/48/18/230374818.db2.gz HBFKEXVBNRJNAD-CABCVRRESA-N 2 2 292.427 1.900 50 0 CDAALP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3C[C@H](C)OC3=O)C2)[nH+]1 ZINC000097200925 342217095 /nfs/dbraw/zinc/21/70/95/342217095.db2.gz MAZKFEKODWWMNF-MELADBBJSA-N 2 2 289.379 1.828 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584896518 349358142 /nfs/dbraw/zinc/35/81/42/349358142.db2.gz LBXAKDMITGSSEB-ZDUSSCGKSA-N 3 2 250.390 1.736 50 0 CDAALP CC(C)c1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1 ZINC000019990549 356520929 /nfs/dbraw/zinc/52/09/29/356520929.db2.gz YQAZCKAREPWUCF-CYBMUJFWSA-N 2 2 250.386 1.870 50 0 CDAALP CCNc1cc[nH+]c(NCC2([NH+](C)C)CCOCC2)n1 ZINC000065504048 357545313 /nfs/dbraw/zinc/54/53/13/357545313.db2.gz JUNZFNWCIQPKPC-UHFFFAOYSA-N 2 2 279.388 1.431 50 0 CDAALP O=C1CCCN1c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000426550701 360683305 /nfs/dbraw/zinc/68/33/05/360683305.db2.gz YEPQSUOASFQEFW-GOEBONIOSA-N 2 2 285.391 1.607 50 0 CDAALP O=C1CCCN1c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000426550701 360683310 /nfs/dbraw/zinc/68/33/10/360683310.db2.gz YEPQSUOASFQEFW-GOEBONIOSA-N 2 2 285.391 1.607 50 0 CDAALP C[NH2+][C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000178606318 189130572 /nfs/dbraw/zinc/13/05/72/189130572.db2.gz LKWNBWXIMUIUOW-ZDUSSCGKSA-N 2 2 285.351 1.091 50 0 CDAALP CC1(C)NC(=[NH2+])NC(Nc2ccc(Cl)cc2)=[NH+]1 ZINC000000230586 366698149 /nfs/dbraw/zinc/69/81/49/366698149.db2.gz PAAHLTWCKCGCRD-UHFFFAOYSA-N 2 2 251.721 1.762 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000293603047 370709267 /nfs/dbraw/zinc/70/92/67/370709267.db2.gz LGSJUNCURCYXLE-GJZGRUSLSA-N 2 2 296.436 1.878 50 0 CDAALP CCCc1noc(C[N@H+](C)CCn2cc[nH+]c2C)n1 ZINC000011664305 260049998 /nfs/dbraw/zinc/04/99/98/260049998.db2.gz XXBHIQCKWMQWFU-UHFFFAOYSA-N 2 2 263.345 1.659 50 0 CDAALP CCCc1noc(C[N@@H+](C)CCn2cc[nH+]c2C)n1 ZINC000011664305 260049999 /nfs/dbraw/zinc/04/99/99/260049999.db2.gz XXBHIQCKWMQWFU-UHFFFAOYSA-N 2 2 263.345 1.659 50 0 CDAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOC)C1 ZINC000091486374 390890065 /nfs/dbraw/zinc/89/00/65/390890065.db2.gz SFTOKYKMXWQANN-CYBMUJFWSA-N 2 2 267.373 1.355 50 0 CDAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000091486374 390890068 /nfs/dbraw/zinc/89/00/68/390890068.db2.gz SFTOKYKMXWQANN-CYBMUJFWSA-N 2 2 267.373 1.355 50 0 CDAALP C[C@@H]1C[NH2+]CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000097162634 397981305 /nfs/dbraw/zinc/98/13/05/397981305.db2.gz XMRSIAUBHYTSKP-LLVKDONJSA-N 2 2 262.382 1.728 50 0 CDAALP O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CCn2c[nH+]cc2C1 ZINC000072169973 176332404 /nfs/dbraw/zinc/33/24/04/176332404.db2.gz GMAXEFOYVPWIGE-OLZOCXBDSA-N 2 2 274.368 1.100 50 0 CDAALP O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCn2c[nH+]cc2C1 ZINC000072169973 176332405 /nfs/dbraw/zinc/33/24/05/176332405.db2.gz GMAXEFOYVPWIGE-OLZOCXBDSA-N 2 2 274.368 1.100 50 0 CDAALP C[N@@H+](Cc1nc(-c2ccncc2)no1)C[C@H]1CC[NH2+]C1 ZINC000077519453 177277419 /nfs/dbraw/zinc/27/74/19/177277419.db2.gz RMESZVDONGYPLK-NSHDSACASA-N 2 2 273.340 1.173 50 0 CDAALP C[N@H+](Cc1nc(-c2ccncc2)no1)C[C@H]1CC[NH2+]C1 ZINC000077519453 177277420 /nfs/dbraw/zinc/27/74/20/177277420.db2.gz RMESZVDONGYPLK-NSHDSACASA-N 2 2 273.340 1.173 50 0 CDAALP C[C@H](C[NH+]1CCCCCC1)NCCc1[nH]cc[nH+]1 ZINC000534588325 328316636 /nfs/dbraw/zinc/31/66/36/328316636.db2.gz SFQOKZROCFMZAY-CYBMUJFWSA-N 2 2 250.390 1.806 50 0 CDAALP C[C@H](CN1CCCCCC1)[NH2+]CCc1[nH]cc[nH+]1 ZINC000534588325 328316637 /nfs/dbraw/zinc/31/66/37/328316637.db2.gz SFQOKZROCFMZAY-CYBMUJFWSA-N 2 2 250.390 1.806 50 0 CDAALP CC[NH+](CC)CCCNc1nnc(C[NH+](C)C)o1 ZINC001772708737 1159443419 /nfs/dbraw/zinc/44/34/19/1159443419.db2.gz JDDILGNPNZEBAH-UHFFFAOYSA-N 2 2 255.366 1.275 50 0 CDAALP OC[C@H]1C[N@H+](Cc2ccncc2)C[C@H]1C[NH+]1CCCC1 ZINC000091738540 482579338 /nfs/dbraw/zinc/57/93/38/482579338.db2.gz GWDMGSAGADRXKH-HZPDHXFCSA-N 2 2 275.396 1.218 50 0 CDAALP OC[C@H]1C[N@@H+](Cc2ccncc2)C[C@H]1C[NH+]1CCCC1 ZINC000091738540 482579345 /nfs/dbraw/zinc/57/93/45/482579345.db2.gz GWDMGSAGADRXKH-HZPDHXFCSA-N 2 2 275.396 1.218 50 0 CDAALP Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000585092407 482828577 /nfs/dbraw/zinc/82/85/77/482828577.db2.gz VJRQKINAHPVSQX-GHMZBOCLSA-N 2 2 274.372 1.504 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nncn1C(C)C ZINC000670450639 483009930 /nfs/dbraw/zinc/00/99/30/483009930.db2.gz ZFSVDUJZTKNGGZ-LBPRGKRZSA-N 2 2 276.388 1.796 50 0 CDAALP Cc1cccc(NCC[NH+]2CCN(c3ncccn3)CC2)[nH+]1 ZINC000097096677 567903980 /nfs/dbraw/zinc/90/39/80/567903980.db2.gz LQKNXFOEUVJOQB-UHFFFAOYSA-N 2 2 298.394 1.414 50 0 CDAALP Cc1nc(CO[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000675017052 899873198 /nfs/dbraw/zinc/87/31/98/899873198.db2.gz PGFMDQZGKGAMCA-AWEZNQCLSA-N 2 2 294.399 1.453 50 0 CDAALP Cc1nc(CO[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000675017052 899873199 /nfs/dbraw/zinc/87/31/99/899873199.db2.gz PGFMDQZGKGAMCA-AWEZNQCLSA-N 2 2 294.399 1.453 50 0 CDAALP CC(C)Oc1cc(NC[C@@H]2CCCC[N@@H+]2C)nc(N)[nH+]1 ZINC001506418568 975156736 /nfs/dbraw/zinc/15/67/36/975156736.db2.gz ZYUGCNAAGIAJTD-NSHDSACASA-N 2 2 279.388 1.742 50 0 CDAALP CC(C)Oc1cc(NC[C@@H]2CCCC[N@H+]2C)nc(N)[nH+]1 ZINC001506418568 975156738 /nfs/dbraw/zinc/15/67/38/975156738.db2.gz ZYUGCNAAGIAJTD-NSHDSACASA-N 2 2 279.388 1.742 50 0 CDAALP CC(C)c1nnc(C[N@H+](C)CCCc2[nH+]ccn2C)o1 ZINC000244601886 361853272 /nfs/dbraw/zinc/85/32/72/361853272.db2.gz DTPKLRGZYMOCGV-UHFFFAOYSA-N 2 2 277.372 1.991 50 0 CDAALP CC(C)c1nnc(C[N@@H+](C)CCCc2[nH+]ccn2C)o1 ZINC000244601886 361853280 /nfs/dbraw/zinc/85/32/80/361853280.db2.gz DTPKLRGZYMOCGV-UHFFFAOYSA-N 2 2 277.372 1.991 50 0 CDAALP C[NH+](C)CC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000585124090 362054163 /nfs/dbraw/zinc/05/41/63/362054163.db2.gz PUMLVGRODNZUKC-CYBMUJFWSA-N 2 2 276.315 1.316 50 0 CDAALP CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC)C1 ZINC000091965009 180293908 /nfs/dbraw/zinc/29/39/08/180293908.db2.gz SIQBNIRUURBARJ-LBPRGKRZSA-N 2 2 264.373 1.219 50 0 CDAALP CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2CC)C1 ZINC000091965009 180293910 /nfs/dbraw/zinc/29/39/10/180293910.db2.gz SIQBNIRUURBARJ-LBPRGKRZSA-N 2 2 264.373 1.219 50 0 CDAALP COCC[C@@]1(CO)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000091877170 180278896 /nfs/dbraw/zinc/27/88/96/180278896.db2.gz FRMRYJTYLUUVNV-HNNXBMFYSA-N 2 2 281.400 1.384 50 0 CDAALP COCC[C@@]1(CO)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000091877170 180278897 /nfs/dbraw/zinc/27/88/97/180278897.db2.gz FRMRYJTYLUUVNV-HNNXBMFYSA-N 2 2 281.400 1.384 50 0 CDAALP CCc1c(C)[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092019742 180307909 /nfs/dbraw/zinc/30/79/09/180307909.db2.gz BMXWLVHCBADEQL-ZIAGYGMSSA-N 2 2 292.427 1.262 50 0 CDAALP Cc1n[nH]cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932235 363294624 /nfs/dbraw/zinc/29/46/24/363294624.db2.gz DSKOBDCEOGLQNE-UHFFFAOYSA-N 2 2 271.368 1.872 50 0 CDAALP CCc1c[nH+]c(C)nc1N(C)CCn1cc[nH+]c1C ZINC000065406852 357538659 /nfs/dbraw/zinc/53/86/59/357538659.db2.gz CZDCDJDHKAYXKI-UHFFFAOYSA-N 2 2 259.357 1.989 50 0 CDAALP COc1c(F)cc(C[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1F ZINC000072432953 357834559 /nfs/dbraw/zinc/83/45/59/357834559.db2.gz KFRUWTJHOUQHMQ-CQSZACIVSA-N 2 2 286.322 1.178 50 0 CDAALP Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc(N)[nH+]1 ZINC000097200868 358188825 /nfs/dbraw/zinc/18/88/25/358188825.db2.gz SJBSXYWSINWTSP-LBPRGKRZSA-N 2 2 284.367 1.701 50 0 CDAALP Cc1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC000095360270 358684228 /nfs/dbraw/zinc/68/42/28/358684228.db2.gz PVSSIRAMKSKHEQ-HNNXBMFYSA-N 2 2 260.385 1.934 50 0 CDAALP Cc1nc(N2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC000095360270 358684233 /nfs/dbraw/zinc/68/42/33/358684233.db2.gz PVSSIRAMKSKHEQ-HNNXBMFYSA-N 2 2 260.385 1.934 50 0 CDAALP COc1ccc2ccccc2c1C[NH2+]CC[NH2+]C[C@@H](C)O ZINC000096318716 358732353 /nfs/dbraw/zinc/73/23/53/358732353.db2.gz FIYUUQWXOFFGNT-CYBMUJFWSA-N 2 2 288.391 1.908 50 0 CDAALP CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1[nH+]ccn1C ZINC000221246468 359221248 /nfs/dbraw/zinc/22/12/48/359221248.db2.gz IPAYFAWOLGZSSI-GFCCVEGCSA-N 2 2 264.373 1.301 50 0 CDAALP CC[C@@H]1CCCC[N@H+]1CC(=O)NCc1[nH+]ccn1C ZINC000221246468 359221252 /nfs/dbraw/zinc/22/12/52/359221252.db2.gz IPAYFAWOLGZSSI-GFCCVEGCSA-N 2 2 264.373 1.301 50 0 CDAALP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000113516563 359454013 /nfs/dbraw/zinc/45/40/13/359454013.db2.gz MRJMMBWGEOCFFY-OAHLLOKOSA-N 2 2 281.444 1.566 50 0 CDAALP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000113516563 359454014 /nfs/dbraw/zinc/45/40/14/359454014.db2.gz MRJMMBWGEOCFFY-OAHLLOKOSA-N 2 2 281.444 1.566 50 0 CDAALP C[NH2+][C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000178606305 189130758 /nfs/dbraw/zinc/13/07/58/189130758.db2.gz LKWNBWXIMUIUOW-CYBMUJFWSA-N 2 2 285.351 1.091 50 0 CDAALP Cc1[nH+]c[nH]c1CNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299792367 372764034 /nfs/dbraw/zinc/76/40/34/372764034.db2.gz 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328331796 /nfs/dbraw/zinc/33/17/96/328331796.db2.gz UNJXITBVZKHDPM-JTQLQIEISA-N 2 2 279.344 1.289 50 0 CDAALP CCCC(=O)N1CCC([NH2+]CCc2[nH]cc[nH+]2)CC1 ZINC000534667428 328345886 /nfs/dbraw/zinc/34/58/86/328345886.db2.gz LXYBQHHBPLVYDJ-UHFFFAOYSA-N 2 2 264.373 1.333 50 0 CDAALP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](F)C2)cc1 ZINC000952976601 615884647 /nfs/dbraw/zinc/88/46/47/615884647.db2.gz LGIHPKVUSWGJLI-HZPDHXFCSA-N 2 2 296.386 1.532 50 0 CDAALP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](F)C2)cc1 ZINC000952976601 615884649 /nfs/dbraw/zinc/88/46/49/615884649.db2.gz LGIHPKVUSWGJLI-HZPDHXFCSA-N 2 2 296.386 1.532 50 0 CDAALP Cc1nc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000952993438 732340784 /nfs/dbraw/zinc/34/07/84/732340784.db2.gz XSVFDCYFANUKPK-STQMWFEESA-N 2 2 264.348 1.634 50 0 CDAALP Cc1nc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000952993438 732340789 /nfs/dbraw/zinc/34/07/89/732340789.db2.gz XSVFDCYFANUKPK-STQMWFEESA-N 2 2 264.348 1.634 50 0 CDAALP OC[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]cc1F ZINC000828710957 926168815 /nfs/dbraw/zinc/16/88/15/926168815.db2.gz RHYCFMJWYUEHTG-GFCCVEGCSA-N 2 2 267.348 1.291 50 0 CDAALP OC[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]cc1F ZINC000828710957 926168820 /nfs/dbraw/zinc/16/88/20/926168820.db2.gz RHYCFMJWYUEHTG-GFCCVEGCSA-N 2 2 267.348 1.291 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC001506402448 975150604 /nfs/dbraw/zinc/15/06/04/975150604.db2.gz NOXRADWJASNUSB-LBPRGKRZSA-N 2 2 287.367 1.338 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC001506402448 975150605 /nfs/dbraw/zinc/15/06/05/975150605.db2.gz NOXRADWJASNUSB-LBPRGKRZSA-N 2 2 287.367 1.338 50 0 CDAALP Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000065460487 357543242 /nfs/dbraw/zinc/54/32/42/357543242.db2.gz GPXWEWGKQVMWII-AWEZNQCLSA-N 2 2 284.363 1.616 50 0 CDAALP COc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3cc[nH+]c3)nc2c1 ZINC000067724481 357621494 /nfs/dbraw/zinc/62/14/94/357621494.db2.gz SLHJFNVHNOGVOR-NSHDSACASA-N 2 2 285.351 1.946 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cnc(NC(C)C)nc1 ZINC000215395655 358886913 /nfs/dbraw/zinc/88/69/13/358886913.db2.gz NHMOIVKUMTZAQU-UHFFFAOYSA-N 2 2 288.399 1.934 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cnc(NC(C)C)nc1 ZINC000215395655 358886919 /nfs/dbraw/zinc/88/69/19/358886919.db2.gz NHMOIVKUMTZAQU-UHFFFAOYSA-N 2 2 288.399 1.934 50 0 CDAALP CSc1ncc(C[N@@H+](C)CCCc2[nH+]ccn2C)cn1 ZINC000216405279 358944154 /nfs/dbraw/zinc/94/41/54/358944154.db2.gz QYYDICONCZJZMU-UHFFFAOYSA-N 2 2 291.424 1.997 50 0 CDAALP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000261943030 359592179 /nfs/dbraw/zinc/59/21/79/359592179.db2.gz DZSWMFWNFBXRIO-INIZCTEOSA-N 2 2 274.364 1.643 50 0 CDAALP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000261943030 359592186 /nfs/dbraw/zinc/59/21/86/359592186.db2.gz DZSWMFWNFBXRIO-INIZCTEOSA-N 2 2 274.364 1.643 50 0 CDAALP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000178982864 189159683 /nfs/dbraw/zinc/15/96/83/189159683.db2.gz HUIGQSMURBRHPU-NSHDSACASA-N 2 2 258.325 1.016 50 0 CDAALP COC[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000377544274 371573062 /nfs/dbraw/zinc/57/30/62/371573062.db2.gz UIYOOSJMPPMMAD-OAHLLOKOSA-N 2 2 264.369 1.670 50 0 CDAALP COC[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000377544274 371573068 /nfs/dbraw/zinc/57/30/68/371573068.db2.gz UIYOOSJMPPMMAD-OAHLLOKOSA-N 2 2 264.369 1.670 50 0 CDAALP NC(=[NH2+])N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000006590923 170217406 /nfs/dbraw/zinc/21/74/06/170217406.db2.gz UUCVVJKCLYKUIH-UHFFFAOYSA-N 2 2 282.775 1.230 50 0 CDAALP Cc1ncc2c(c1-c1noc(Cn3cc[nH+]c3)n1)CC[NH2+]C2 ZINC000020859192 171276229 /nfs/dbraw/zinc/27/62/29/171276229.db2.gz JDGWELQAQFDMHZ-UHFFFAOYSA-N 2 2 296.334 1.331 50 0 CDAALP C[N@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000035334644 172131617 /nfs/dbraw/zinc/13/16/17/172131617.db2.gz ZUCOJIJCKVVZRQ-UHFFFAOYSA-N 2 2 262.353 1.941 50 0 CDAALP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000035334644 172131619 /nfs/dbraw/zinc/13/16/19/172131619.db2.gz ZUCOJIJCKVVZRQ-UHFFFAOYSA-N 2 2 262.353 1.941 50 0 CDAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000215452896 277111679 /nfs/dbraw/zinc/11/16/79/277111679.db2.gz PZSRQJOFORNUMT-LBPRGKRZSA-N 2 2 283.803 1.755 50 0 CDAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000215452896 277111680 /nfs/dbraw/zinc/11/16/80/277111680.db2.gz PZSRQJOFORNUMT-LBPRGKRZSA-N 2 2 283.803 1.755 50 0 CDAALP COc1cc2[nH+]c(C)nc(N3CC[NH2+]CC3)c2cc1OC ZINC000026467696 277857520 /nfs/dbraw/zinc/85/75/20/277857520.db2.gz WNDCWPNNDOJLCC-UHFFFAOYSA-N 2 2 288.351 1.365 50 0 CDAALP Cc1[nH+]cn(CC[NH2+][C@@H](C)CN(C)C(C)C)c1C ZINC000670457318 483036086 /nfs/dbraw/zinc/03/60/86/483036086.db2.gz ZGTHVUQOZGMSGU-LBPRGKRZSA-N 2 2 252.406 1.818 50 0 CDAALP CCn1nc(C[NH2+]C[C@@]2(O)CCC[NH2+]C2)c2ccccc21 ZINC000072481476 733521557 /nfs/dbraw/zinc/52/15/57/733521557.db2.gz ZIWDFHZIULCPEP-MRXNPFEDSA-N 2 2 288.395 1.260 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC([NH+]2CCSCC2)CC1 ZINC000244874406 735222401 /nfs/dbraw/zinc/22/24/01/735222401.db2.gz XAUXQGFQCAKTLP-UHFFFAOYSA-N 2 2 280.441 1.731 50 0 CDAALP COCC[NH+]1CCC(C[N@H+](C)Cc2nnc(C)s2)CC1 ZINC001529138589 968990182 /nfs/dbraw/zinc/99/01/82/968990182.db2.gz FXKVYCASSMAPSC-UHFFFAOYSA-N 2 2 298.456 1.637 50 0 CDAALP COCC[NH+]1CCC(C[N@@H+](C)Cc2nnc(C)s2)CC1 ZINC001529138589 968990190 /nfs/dbraw/zinc/99/01/90/968990190.db2.gz FXKVYCASSMAPSC-UHFFFAOYSA-N 2 2 298.456 1.637 50 0 CDAALP Cn1cc[nH+]c1[C@H](NC(=O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000095955441 185041535 /nfs/dbraw/zinc/04/15/35/185041535.db2.gz IIFMFAKNZHFZQI-MRXNPFEDSA-N 2 2 298.390 1.720 50 0 CDAALP Cn1cc[nH+]c1[C@H](NC(=O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000095955441 185041536 /nfs/dbraw/zinc/04/15/36/185041536.db2.gz IIFMFAKNZHFZQI-MRXNPFEDSA-N 2 2 298.390 1.720 50 0 CDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000225219007 539097096 /nfs/dbraw/zinc/09/70/96/539097096.db2.gz ODBBIHYUFPAAHP-OLZOCXBDSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000225219007 539097097 /nfs/dbraw/zinc/09/70/97/539097097.db2.gz ODBBIHYUFPAAHP-OLZOCXBDSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@@H+]([C@H]3C[C@@H](C)OC3=O)C2)[nH+]c1 ZINC000230165291 349774044 /nfs/dbraw/zinc/77/40/44/349774044.db2.gz VSASMZSSGSEMJL-RDBSUJKOSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@H+]([C@H]3C[C@@H](C)OC3=O)C2)[nH+]c1 ZINC000230165291 349774046 /nfs/dbraw/zinc/77/40/46/349774046.db2.gz VSASMZSSGSEMJL-RDBSUJKOSA-N 2 2 289.379 1.828 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000584892147 349351368 /nfs/dbraw/zinc/35/13/68/349351368.db2.gz QYCNSMYVRQMDGR-SNVBAGLBSA-N 2 2 287.367 1.654 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000584892147 349351371 /nfs/dbraw/zinc/35/13/71/349351371.db2.gz QYCNSMYVRQMDGR-SNVBAGLBSA-N 2 2 287.367 1.654 50 0 CDAALP CCn1cc[nH+]c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000013694488 365961527 /nfs/dbraw/zinc/96/15/27/365961527.db2.gz GBRQZNGSGKKHCY-UHFFFAOYSA-N 2 2 271.368 1.620 50 0 CDAALP CC[NH+](CC)CCn1c2ccccc2n(CCO)c1=[NH2+] ZINC000000305750 355903824 /nfs/dbraw/zinc/90/38/24/355903824.db2.gz MZQWKMKJXAYBAS-UHFFFAOYSA-N 2 2 276.384 1.256 50 0 CDAALP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1N ZINC000072462515 357837303 /nfs/dbraw/zinc/83/73/03/357837303.db2.gz FUYXUUSJJDUCMK-AWEZNQCLSA-N 2 2 262.401 1.970 50 0 CDAALP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1cccnc1N ZINC000072462515 357837308 /nfs/dbraw/zinc/83/73/08/357837308.db2.gz FUYXUUSJJDUCMK-AWEZNQCLSA-N 2 2 262.401 1.970 50 0 CDAALP CC(C)[NH+]1CCC(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000095354637 358683486 /nfs/dbraw/zinc/68/34/86/358683486.db2.gz RRMIVOPNKIRXSM-UHFFFAOYSA-N 2 2 278.400 1.499 50 0 CDAALP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097619285 358788525 /nfs/dbraw/zinc/78/85/25/358788525.db2.gz DEYZAGFLZIAJJL-PFWMLDTASA-N 2 2 299.418 1.454 50 0 CDAALP C[NH2+][C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000178598154 189130200 /nfs/dbraw/zinc/13/02/00/189130200.db2.gz IWXKDMJKGUPSRZ-LBPRGKRZSA-N 2 2 258.325 1.158 50 0 CDAALP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945022 299320070 /nfs/dbraw/zinc/32/00/70/299320070.db2.gz YMQXQUKAMNASFG-GJZGRUSLSA-N 2 2 290.455 1.649 50 0 CDAALP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945022 299320075 /nfs/dbraw/zinc/32/00/75/299320075.db2.gz YMQXQUKAMNASFG-GJZGRUSLSA-N 2 2 290.455 1.649 50 0 CDAALP Fc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000097773035 361081608 /nfs/dbraw/zinc/08/16/08/361081608.db2.gz HBNGERYMWVNDKA-CYBMUJFWSA-N 2 2 297.805 1.959 50 0 CDAALP CCNC(=O)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003604 367006716 /nfs/dbraw/zinc/00/67/16/367006716.db2.gz ARTWZSGOQRNEIU-CYBMUJFWSA-N 2 2 278.400 1.201 50 0 CDAALP CCNC(=O)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003604 367006723 /nfs/dbraw/zinc/00/67/23/367006723.db2.gz ARTWZSGOQRNEIU-CYBMUJFWSA-N 2 2 278.400 1.201 50 0 CDAALP CN(CCCc1[nH+]ccn1C)C(=O)c1ccc(C[NH3+])cc1 ZINC000299760070 372747009 /nfs/dbraw/zinc/74/70/09/372747009.db2.gz UYQOZNNFDVFSKJ-UHFFFAOYSA-N 2 2 286.379 1.584 50 0 CDAALP Cc1ccc(NC(=O)N2CCC[N@H+](C)CC2)c(N(C)C)[nH+]1 ZINC000096000109 375050226 /nfs/dbraw/zinc/05/02/26/375050226.db2.gz ZBCPSVKDVRAFBG-UHFFFAOYSA-N 2 2 291.399 1.625 50 0 CDAALP Cc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)c(N(C)C)[nH+]1 ZINC000096000109 375050229 /nfs/dbraw/zinc/05/02/29/375050229.db2.gz ZBCPSVKDVRAFBG-UHFFFAOYSA-N 2 2 291.399 1.625 50 0 CDAALP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067742641 377235762 /nfs/dbraw/zinc/23/57/62/377235762.db2.gz MKSLQIWQPSVLOB-AWEZNQCLSA-N 2 2 282.819 1.957 50 0 CDAALP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067742641 377235770 /nfs/dbraw/zinc/23/57/70/377235770.db2.gz MKSLQIWQPSVLOB-AWEZNQCLSA-N 2 2 282.819 1.957 50 0 CDAALP C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000246641648 392981668 /nfs/dbraw/zinc/98/16/68/392981668.db2.gz ZNGIQUBZGCYFTO-SMDDNHRTSA-N 2 2 281.787 1.892 50 0 CDAALP CC(C)=CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000096489100 393186878 /nfs/dbraw/zinc/18/68/78/393186878.db2.gz FOHYRMPEJKLCIR-AWEZNQCLSA-N 2 2 265.401 1.367 50 0 CDAALP CC(C)=CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000096489100 393186886 /nfs/dbraw/zinc/18/68/86/393186886.db2.gz FOHYRMPEJKLCIR-AWEZNQCLSA-N 2 2 265.401 1.367 50 0 CDAALP Cn1c[nH+]cc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC000215922444 294483215 /nfs/dbraw/zinc/48/32/15/294483215.db2.gz CWWJRBCEGICUHS-AWEZNQCLSA-N 2 2 262.401 1.870 50 0 CDAALP CCCCc1[nH]c(C[N@H+](C)C[C@H]2CC(=O)N(C)C2)c[nH+]1 ZINC000670469387 483063447 /nfs/dbraw/zinc/06/34/47/483063447.db2.gz NMRNSDLIFYJQPP-GFCCVEGCSA-N 2 2 278.400 1.662 50 0 CDAALP CCCCc1[nH]c(C[N@@H+](C)C[C@H]2CC(=O)N(C)C2)c[nH+]1 ZINC000670469387 483063453 /nfs/dbraw/zinc/06/34/53/483063453.db2.gz NMRNSDLIFYJQPP-GFCCVEGCSA-N 2 2 278.400 1.662 50 0 CDAALP C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067982850 524690832 /nfs/dbraw/zinc/69/08/32/524690832.db2.gz YKHMIWPLEWYBHE-ZDUSSCGKSA-N 2 2 284.363 1.583 50 0 CDAALP C[C@H]1CNC(=O)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067982850 524690839 /nfs/dbraw/zinc/69/08/39/524690839.db2.gz YKHMIWPLEWYBHE-ZDUSSCGKSA-N 2 2 284.363 1.583 50 0 CDAALP C/C=C(\C)C(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000015064325 935533514 /nfs/dbraw/zinc/53/35/14/935533514.db2.gz DPGQARWKGYRQOU-HIICFIELSA-N 2 2 279.428 1.627 50 0 CDAALP C/C=C(\C)C(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000015064325 935533518 /nfs/dbraw/zinc/53/35/18/935533518.db2.gz DPGQARWKGYRQOU-HIICFIELSA-N 2 2 279.428 1.627 50 0 CDAALP COC1(OC)CCOC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000685943208 539046018 /nfs/dbraw/zinc/04/60/18/539046018.db2.gz GBFWSHGBCPXDCW-CQSZACIVSA-N 2 2 280.368 1.300 50 0 CDAALP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3C[C@@H](C)OC3=O)C2)[nH+]1 ZINC000230165754 349774580 /nfs/dbraw/zinc/77/45/80/349774580.db2.gz MAZKFEKODWWMNF-RDBSUJKOSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3C[C@@H](C)OC3=O)C2)[nH+]1 ZINC000230165754 349774586 /nfs/dbraw/zinc/77/45/86/349774586.db2.gz MAZKFEKODWWMNF-RDBSUJKOSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1nn(CCO)cc1C[N@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072430388 357834795 /nfs/dbraw/zinc/83/47/95/357834795.db2.gz CXZSYBOGZVZBSP-MRXNPFEDSA-N 2 2 294.443 1.490 50 0 CDAALP Cc1nn(CCO)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072430388 357834797 /nfs/dbraw/zinc/83/47/97/357834797.db2.gz CXZSYBOGZVZBSP-MRXNPFEDSA-N 2 2 294.443 1.490 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000097081559 357945087 /nfs/dbraw/zinc/94/50/87/357945087.db2.gz DSJQXTFZCMWRTL-WDEREUQCSA-N 2 2 254.374 1.400 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000097081559 357945088 /nfs/dbraw/zinc/94/50/88/357945088.db2.gz DSJQXTFZCMWRTL-WDEREUQCSA-N 2 2 254.374 1.400 50 0 CDAALP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CCC2)CC1 ZINC000095981752 283320962 /nfs/dbraw/zinc/32/09/62/283320962.db2.gz HVDZGBRRFCXTJC-AWEZNQCLSA-N 2 2 265.401 1.201 50 0 CDAALP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CCC2)CC1 ZINC000095981752 283320964 /nfs/dbraw/zinc/32/09/64/283320964.db2.gz HVDZGBRRFCXTJC-AWEZNQCLSA-N 2 2 265.401 1.201 50 0 CDAALP c1cn(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)c[nH+]1 ZINC000082137763 358148905 /nfs/dbraw/zinc/14/89/05/358148905.db2.gz GTAZQRIVXMZHSW-AWEZNQCLSA-N 2 2 279.384 1.591 50 0 CDAALP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000426404429 360664754 /nfs/dbraw/zinc/66/47/54/360664754.db2.gz ZJNVXKXWIQPANJ-PKOBYXMFSA-N 3 2 299.462 1.987 50 0 CDAALP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000426404429 360664761 /nfs/dbraw/zinc/66/47/61/360664761.db2.gz ZJNVXKXWIQPANJ-PKOBYXMFSA-N 3 2 299.462 1.987 50 0 CDAALP Cn1c[nH+]cc1-c1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000426493981 360676079 /nfs/dbraw/zinc/67/60/79/360676079.db2.gz ICSOSWVVLWTJMX-UHFFFAOYSA-N 2 2 298.390 1.913 50 0 CDAALP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC(=O)Nc1ccccc1 ZINC000252585490 368161164 /nfs/dbraw/zinc/16/11/64/368161164.db2.gz IYOLJEVPJAZLTI-DZGCQCFKSA-N 2 2 275.396 1.897 50 0 CDAALP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC(=O)Nc1ccccc1 ZINC000252585490 368161169 /nfs/dbraw/zinc/16/11/69/368161169.db2.gz IYOLJEVPJAZLTI-DZGCQCFKSA-N 2 2 275.396 1.897 50 0 CDAALP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1 ZINC000252585490 368161173 /nfs/dbraw/zinc/16/11/73/368161173.db2.gz IYOLJEVPJAZLTI-DZGCQCFKSA-N 2 2 275.396 1.897 50 0 CDAALP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000252585490 368161178 /nfs/dbraw/zinc/16/11/78/368161178.db2.gz IYOLJEVPJAZLTI-DZGCQCFKSA-N 2 2 275.396 1.897 50 0 CDAALP c1cc(OC[C@@H]2CCC[NH2+]C2)ccc1C[NH+]1CCOCC1 ZINC000299777233 372755395 /nfs/dbraw/zinc/75/53/95/372755395.db2.gz BKSSCABHNAATLV-MRXNPFEDSA-N 2 2 290.407 1.897 50 0 CDAALP c1ccc(C2CC[NH+]([C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000299804107 372773161 /nfs/dbraw/zinc/77/31/61/372773161.db2.gz ZTSJOCXYRZHPSP-INIZCTEOSA-N 2 2 260.381 1.854 50 0 CDAALP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000095422303 374924287 /nfs/dbraw/zinc/92/42/87/374924287.db2.gz WOMKCFSAAIHWEW-WMLDXEAASA-N 2 2 293.430 1.982 50 0 CDAALP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000095422303 374924292 /nfs/dbraw/zinc/92/42/92/374924292.db2.gz WOMKCFSAAIHWEW-WMLDXEAASA-N 2 2 293.430 1.982 50 0 CDAALP C[N@H+](CCn1cncn1)C1CCN(c2cccc[nH+]2)CC1 ZINC000095964230 375042332 /nfs/dbraw/zinc/04/23/32/375042332.db2.gz QRCFTANGJBHQED-UHFFFAOYSA-N 2 2 286.383 1.274 50 0 CDAALP C[N@@H+](CCn1cncn1)C1CCN(c2cccc[nH+]2)CC1 ZINC000095964230 375042339 /nfs/dbraw/zinc/04/23/39/375042339.db2.gz QRCFTANGJBHQED-UHFFFAOYSA-N 2 2 286.383 1.274 50 0 CDAALP C[C@@H](C(=O)NCCNc1cccc[nH+]1)[NH+]1CCCCCC1 ZINC000096435986 390518831 /nfs/dbraw/zinc/51/88/31/390518831.db2.gz YCOLHNGTWLTKAI-AWEZNQCLSA-N 2 2 290.411 1.874 50 0 CDAALP O=c1[nH]c2ccccc2cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020506073 171228363 /nfs/dbraw/zinc/22/83/63/171228363.db2.gz AJYPHJVPANXMBY-UHFFFAOYSA-N 2 2 282.347 1.905 50 0 CDAALP CCCc1c[nH+]c(C)nc1N1CCOC[C@H](C[NH+](C)C)C1 ZINC000072130962 176321685 /nfs/dbraw/zinc/32/16/85/176321685.db2.gz HKSWFXCUKJZBDJ-CQSZACIVSA-N 2 2 292.427 1.752 50 0 CDAALP Oc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077459752 177271346 /nfs/dbraw/zinc/27/13/46/177271346.db2.gz IJVJQJVUGFCLQT-KRWDZBQOSA-N 2 2 290.407 1.815 50 0 CDAALP Oc1cccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077459752 177271348 /nfs/dbraw/zinc/27/13/48/177271348.db2.gz IJVJQJVUGFCLQT-KRWDZBQOSA-N 2 2 290.407 1.815 50 0 CDAALP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089401065 277071917 /nfs/dbraw/zinc/07/19/17/277071917.db2.gz DWHZMQTVBGTBTC-NWDGAFQWSA-N 2 2 267.373 1.044 50 0 CDAALP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000089401065 277071918 /nfs/dbraw/zinc/07/19/18/277071918.db2.gz DWHZMQTVBGTBTC-NWDGAFQWSA-N 2 2 267.373 1.044 50 0 CDAALP COc1cc2c(cc1OC)C[N@@H+](C1CC[NH2+]CC1)CC2 ZINC000002559689 277393770 /nfs/dbraw/zinc/39/37/70/277393770.db2.gz GAGMAKLCMYOEKJ-UHFFFAOYSA-N 2 2 276.380 1.814 50 0 CDAALP COc1cc2c(cc1OC)C[N@H+](C1CC[NH2+]CC1)CC2 ZINC000002559689 277393771 /nfs/dbraw/zinc/39/37/71/277393771.db2.gz GAGMAKLCMYOEKJ-UHFFFAOYSA-N 2 2 276.380 1.814 50 0 CDAALP C[C@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000107014598 279197734 /nfs/dbraw/zinc/19/77/34/279197734.db2.gz WRVXAEMEHRWOKH-UONOGXRCSA-N 2 2 290.411 1.736 50 0 CDAALP C[C@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000107014598 279197737 /nfs/dbraw/zinc/19/77/37/279197737.db2.gz WRVXAEMEHRWOKH-UONOGXRCSA-N 2 2 290.411 1.736 50 0 CDAALP CCn1cc[nH+]c1CN(C)C(=O)NCC(C)(C)[N@H+](C)CC ZINC000534633481 328332528 /nfs/dbraw/zinc/33/25/28/328332528.db2.gz PNIBRXUOVMTASN-UHFFFAOYSA-N 2 2 295.431 1.775 50 0 CDAALP CCn1cc[nH+]c1CN(C)C(=O)NCC(C)(C)[N@@H+](C)CC ZINC000534633481 328332529 /nfs/dbraw/zinc/33/25/29/328332529.db2.gz PNIBRXUOVMTASN-UHFFFAOYSA-N 2 2 295.431 1.775 50 0 CDAALP C[N@@H+]1CCO[C@@H]2CCN(c3cc[nH+]cc3Cl)C[C@H]21 ZINC000285130088 567904853 /nfs/dbraw/zinc/90/48/53/567904853.db2.gz SANOBTUFOWEENW-CHWSQXEVSA-N 2 2 267.760 1.644 50 0 CDAALP C[N@H+]1CCO[C@@H]2CCN(c3cc[nH+]cc3Cl)C[C@H]21 ZINC000285130088 567904855 /nfs/dbraw/zinc/90/48/55/567904855.db2.gz SANOBTUFOWEENW-CHWSQXEVSA-N 2 2 267.760 1.644 50 0 CDAALP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000097141818 567905035 /nfs/dbraw/zinc/90/50/35/567905035.db2.gz WHWBPOBTWPQBDS-SNVBAGLBSA-N 2 2 254.296 1.372 50 0 CDAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)Cc1ccoc1 ZINC001704333149 1177691294 /nfs/dbraw/zinc/69/12/94/1177691294.db2.gz WSQMMNRBIODHHN-UHFFFAOYSA-N 2 2 262.357 1.875 50 0 CDAALP CC[NH+](CC)CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000002180671 355962022 /nfs/dbraw/zinc/96/20/22/355962022.db2.gz VMXUYNLNOJCHFU-UHFFFAOYSA-N 2 2 288.395 1.803 50 0 CDAALP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000067757386 356007960 /nfs/dbraw/zinc/00/79/60/356007960.db2.gz BAVPTOFGTQLWEJ-LBPRGKRZSA-N 2 2 265.405 1.586 50 0 CDAALP O=C(C[NH+]1CCCCC1)Nc1c[nH+]c2n1CCCC2 ZINC000067910005 357635955 /nfs/dbraw/zinc/63/59/55/357635955.db2.gz XJBKHCLWSWYFJG-UHFFFAOYSA-N 2 2 262.357 1.644 50 0 CDAALP Cc1cccnc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000077424973 358018573 /nfs/dbraw/zinc/01/85/73/358018573.db2.gz IOVFIGUIYYLEES-AWEZNQCLSA-N 2 2 260.385 1.122 50 0 CDAALP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[NH2+]C[C@H](O)C2)cc1 ZINC000097744677 358795778 /nfs/dbraw/zinc/79/57/78/358795778.db2.gz GQPCRQHBUISWGN-HNNXBMFYSA-N 2 2 286.379 1.151 50 0 CDAALP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[NH2+]C[C@H](O)C2)cc1 ZINC000097744677 358795780 /nfs/dbraw/zinc/79/57/80/358795780.db2.gz GQPCRQHBUISWGN-HNNXBMFYSA-N 2 2 286.379 1.151 50 0 CDAALP Cc1ccc2[nH+]c(CNC(=O)C[C@@H]3CC[NH2+]C3)cn2c1 ZINC000299787901 372762089 /nfs/dbraw/zinc/76/20/89/372762089.db2.gz SXJUQPCSQFVOFG-LBPRGKRZSA-N 2 2 272.352 1.259 50 0 CDAALP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@H]1C ZINC000093193982 374735287 /nfs/dbraw/zinc/73/52/87/374735287.db2.gz MFJCFWOMZNGVGY-UONOGXRCSA-N 2 2 267.417 1.127 50 0 CDAALP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@H]1C ZINC000093193982 374735291 /nfs/dbraw/zinc/73/52/91/374735291.db2.gz MFJCFWOMZNGVGY-UONOGXRCSA-N 2 2 267.417 1.127 50 0 CDAALP CN(C)c1nc(N2CCn3c[nH+]cc3C2)c2c([nH+]1)CCCC2 ZINC000072157691 390625514 /nfs/dbraw/zinc/62/55/14/390625514.db2.gz WJUONOGVSJWMMK-UHFFFAOYSA-N 2 2 298.394 1.638 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000020865499 171276772 /nfs/dbraw/zinc/27/67/72/171276772.db2.gz JAJCIDJDPMTPMG-HZSPNIEDSA-N 2 2 256.390 1.064 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000020865499 171276773 /nfs/dbraw/zinc/27/67/73/171276773.db2.gz JAJCIDJDPMTPMG-HZSPNIEDSA-N 2 2 256.390 1.064 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000020865499 171276774 /nfs/dbraw/zinc/27/67/74/171276774.db2.gz JAJCIDJDPMTPMG-HZSPNIEDSA-N 2 2 256.390 1.064 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000020865499 171276775 /nfs/dbraw/zinc/27/67/75/171276775.db2.gz JAJCIDJDPMTPMG-HZSPNIEDSA-N 2 2 256.390 1.064 50 0 CDAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C)CC1 ZINC000077471521 177272552 /nfs/dbraw/zinc/27/25/52/177272552.db2.gz LHHYZFCUFGLQLC-UHFFFAOYSA-N 2 2 263.389 1.220 50 0 CDAALP CCCc1c[nH+]c(C)nc1N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534641485 328336257 /nfs/dbraw/zinc/33/62/57/328336257.db2.gz ZJZXGVRVOHJZND-NMWPEEMBSA-N 2 2 272.396 1.924 50 0 CDAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000534652972 328338299 /nfs/dbraw/zinc/33/82/99/328338299.db2.gz CLDXLTYUSQAGQW-OAHLLOKOSA-N 2 2 296.374 1.418 50 0 CDAALP Cn1cccc1[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000097103526 323207596 /nfs/dbraw/zinc/20/75/96/323207596.db2.gz BMDWMMFXBPXYGZ-OAHLLOKOSA-N 2 2 274.368 1.685 50 0 CDAALP Cn1cccc1[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000097103526 323207598 /nfs/dbraw/zinc/20/75/98/323207598.db2.gz BMDWMMFXBPXYGZ-OAHLLOKOSA-N 2 2 274.368 1.685 50 0 CDAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)[C@H]1CC=CCC1 ZINC001704312298 1177684185 /nfs/dbraw/zinc/68/41/85/1177684185.db2.gz OYFNXQMOIAZFJQ-AWEZNQCLSA-N 2 2 290.411 1.965 50 0 CDAALP Cc1[nH+]cn(CCNc2nc(N(C)C)c(C)c[nH+]2)c1C ZINC001506403461 975150283 /nfs/dbraw/zinc/15/02/83/975150283.db2.gz BMODKPSLROBITQ-UHFFFAOYSA-N 2 2 274.372 1.776 50 0 CDAALP O=C1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCN1 ZINC000584895292 349355996 /nfs/dbraw/zinc/35/59/96/349355996.db2.gz LNDWFAKCFGTPEE-AWEZNQCLSA-N 2 2 284.363 1.631 50 0 CDAALP CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002380315 355968656 /nfs/dbraw/zinc/96/86/56/355968656.db2.gz RKOCZCYQGXYZGD-UHFFFAOYSA-N 2 2 278.396 1.897 50 0 CDAALP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000097675482 358792726 /nfs/dbraw/zinc/79/27/26/358792726.db2.gz CKUGCDUQQNCSNU-ZDUSSCGKSA-N 2 2 276.384 1.600 50 0 CDAALP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000097675482 358792731 /nfs/dbraw/zinc/79/27/31/358792731.db2.gz CKUGCDUQQNCSNU-ZDUSSCGKSA-N 2 2 276.384 1.600 50 0 CDAALP CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1[nH+]ccn1C ZINC000221246524 359222335 /nfs/dbraw/zinc/22/23/35/359222335.db2.gz IPAYFAWOLGZSSI-LBPRGKRZSA-N 2 2 264.373 1.301 50 0 CDAALP CC[C@H]1CCCC[N@H+]1CC(=O)NCc1[nH+]ccn1C ZINC000221246524 359222340 /nfs/dbraw/zinc/22/23/40/359222340.db2.gz IPAYFAWOLGZSSI-LBPRGKRZSA-N 2 2 264.373 1.301 50 0 CDAALP Nc1nc(NCCOc2ccccc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223139965 359403139 /nfs/dbraw/zinc/40/31/39/359403139.db2.gz VNYQVJQWZFPXLO-UHFFFAOYSA-N 2 2 299.378 1.754 50 0 CDAALP Cc1cccc(CCSc2nnc(CC[NH3+])n2C)[nH+]1 ZINC000426510131 360677473 /nfs/dbraw/zinc/67/74/73/360677473.db2.gz MQXWKBQKRRTTQE-UHFFFAOYSA-N 2 2 277.397 1.355 50 0 CDAALP CCCCc1[nH]c(CN2CCO[C@H](CC[NH3+])C2)c[nH+]1 ZINC000426715922 360698422 /nfs/dbraw/zinc/69/84/22/360698422.db2.gz MJLWCOBAEOKGOB-CYBMUJFWSA-N 2 2 266.389 1.302 50 0 CDAALP CCCCc1[nH]cc(CN2CCO[C@H](CC[NH3+])C2)[nH+]1 ZINC000426715922 360698427 /nfs/dbraw/zinc/69/84/27/360698427.db2.gz MJLWCOBAEOKGOB-CYBMUJFWSA-N 2 2 266.389 1.302 50 0 CDAALP Cn1cc[nH+]c1-c1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000426719980 361609639 /nfs/dbraw/zinc/60/96/39/361609639.db2.gz PVKUAQVNTIPNHW-UHFFFAOYSA-N 2 2 298.390 1.913 50 0 CDAALP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000241132794 376017680 /nfs/dbraw/zinc/01/76/80/376017680.db2.gz JLQPUSKJVUEMNM-DJIMGWMZSA-N 3 2 295.471 1.560 50 0 CDAALP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000241132794 376017686 /nfs/dbraw/zinc/01/76/86/376017686.db2.gz JLQPUSKJVUEMNM-DJIMGWMZSA-N 3 2 295.471 1.560 50 0 CDAALP CCCc1nc(NCC[NH+]2CCC(O)CC2)cc(C)[nH+]1 ZINC000065381700 390549910 /nfs/dbraw/zinc/54/99/10/390549910.db2.gz LHFFQWXAKKWWKH-UHFFFAOYSA-N 2 2 278.400 1.606 50 0 CDAALP Cc1[nH]c(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c[nH+]1 ZINC000020540201 171241453 /nfs/dbraw/zinc/24/14/53/171241453.db2.gz VRALWMWOZJZRCS-HNNXBMFYSA-N 2 2 280.416 1.243 50 0 CDAALP Cc1[nH]c(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c[nH+]1 ZINC000020540201 171241454 /nfs/dbraw/zinc/24/14/54/171241454.db2.gz VRALWMWOZJZRCS-HNNXBMFYSA-N 2 2 280.416 1.243 50 0 CDAALP Cc1[nH]cc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)[nH+]1 ZINC000020540201 171241456 /nfs/dbraw/zinc/24/14/56/171241456.db2.gz VRALWMWOZJZRCS-HNNXBMFYSA-N 2 2 280.416 1.243 50 0 CDAALP Cc1[nH]cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)[nH+]1 ZINC000020540201 171241457 /nfs/dbraw/zinc/24/14/57/171241457.db2.gz VRALWMWOZJZRCS-HNNXBMFYSA-N 2 2 280.416 1.243 50 0 CDAALP Oc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077459753 177271159 /nfs/dbraw/zinc/27/11/59/177271159.db2.gz IJVJQJVUGFCLQT-QGZVFWFLSA-N 2 2 290.407 1.815 50 0 CDAALP Oc1cccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077459753 177271162 /nfs/dbraw/zinc/27/11/62/177271162.db2.gz IJVJQJVUGFCLQT-QGZVFWFLSA-N 2 2 290.407 1.815 50 0 CDAALP CCC[NH+]1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000370663757 276004760 /nfs/dbraw/zinc/00/47/60/276004760.db2.gz YEGARTBOAYUKGM-AWEZNQCLSA-N 2 2 262.401 1.731 50 0 CDAALP c1c[nH+]c(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000534661972 328350012 /nfs/dbraw/zinc/35/00/12/328350012.db2.gz YNYZRROTCPGNSH-UHFFFAOYSA-N 3 2 262.401 1.949 50 0 CDAALP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261745934 534680320 /nfs/dbraw/zinc/68/03/20/534680320.db2.gz BWJSHFZPKPNDAR-NSHDSACASA-N 2 2 279.388 1.285 50 0 CDAALP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261745934 534680324 /nfs/dbraw/zinc/68/03/24/534680324.db2.gz BWJSHFZPKPNDAR-NSHDSACASA-N 2 2 279.388 1.285 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000065982233 750056221 /nfs/dbraw/zinc/05/62/21/750056221.db2.gz DPOYDWRAZUDUFK-NSHDSACASA-N 2 2 272.776 1.991 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000065982233 750056224 /nfs/dbraw/zinc/05/62/24/750056224.db2.gz DPOYDWRAZUDUFK-NSHDSACASA-N 2 2 272.776 1.991 50 0 CDAALP CCc1[nH+]ccn1CCc1ncnn1-c1cc[nH+]cc1 ZINC000823557421 925711182 /nfs/dbraw/zinc/71/11/82/925711182.db2.gz QGGZNTUCAFZRLT-UHFFFAOYSA-N 2 2 268.324 1.664 50 0 CDAALP C[N@H+](CCc1[nH]cc[nH+]1)C[C@@H]1COc2ccccc2O1 ZINC000823690350 925721654 /nfs/dbraw/zinc/72/16/54/925721654.db2.gz WHXQHLNCGHIYSM-GFCCVEGCSA-N 2 2 273.336 1.724 50 0 CDAALP C[N@@H+](CCc1[nH]cc[nH+]1)C[C@@H]1COc2ccccc2O1 ZINC000823690350 925721665 /nfs/dbraw/zinc/72/16/65/925721665.db2.gz WHXQHLNCGHIYSM-GFCCVEGCSA-N 2 2 273.336 1.724 50 0 CDAALP C[N@@H+]1CCC[C@H](CCC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000823770641 925726588 /nfs/dbraw/zinc/72/65/88/925726588.db2.gz STOUEYVCTWWCCD-GFCCVEGCSA-N 2 2 264.373 1.190 50 0 CDAALP C[N@H+]1CCC[C@H](CCC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000823770641 925726594 /nfs/dbraw/zinc/72/65/94/925726594.db2.gz STOUEYVCTWWCCD-GFCCVEGCSA-N 2 2 264.373 1.190 50 0 CDAALP COCC[N@@H+]1CC[C@H](CNc2cc(N)nc(SC)[nH+]2)C1 ZINC001529158729 968997525 /nfs/dbraw/zinc/99/75/25/968997525.db2.gz JSYHBCXRQBLDRR-SNVBAGLBSA-N 2 2 297.428 1.161 50 0 CDAALP COCC[N@H+]1CC[C@H](CNc2cc(N)nc(SC)[nH+]2)C1 ZINC001529158729 968997534 /nfs/dbraw/zinc/99/75/34/968997534.db2.gz JSYHBCXRQBLDRR-SNVBAGLBSA-N 2 2 297.428 1.161 50 0 CDAALP CCC[C@]1(CO)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000091486105 180167181 /nfs/dbraw/zinc/16/71/81/180167181.db2.gz DHXBJQYCBZNXTG-AWEZNQCLSA-N 2 2 251.374 1.758 50 0 CDAALP CCC[C@]1(CO)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000091486105 180167182 /nfs/dbraw/zinc/16/71/82/180167182.db2.gz DHXBJQYCBZNXTG-AWEZNQCLSA-N 2 2 251.374 1.758 50 0 CDAALP C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097110954 357986742 /nfs/dbraw/zinc/98/67/42/357986742.db2.gz VUZZMUCDIAPGBP-OLZOCXBDSA-N 2 2 277.416 1.558 50 0 CDAALP C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110954 357986745 /nfs/dbraw/zinc/98/67/45/357986745.db2.gz VUZZMUCDIAPGBP-OLZOCXBDSA-N 2 2 277.416 1.558 50 0 CDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccccn2)C1 ZINC000077437337 358018804 /nfs/dbraw/zinc/01/88/04/358018804.db2.gz UVRLBQMZYSUUGG-INIZCTEOSA-N 2 2 275.396 1.504 50 0 CDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccn2)C1 ZINC000077437337 358018805 /nfs/dbraw/zinc/01/88/05/358018805.db2.gz UVRLBQMZYSUUGG-INIZCTEOSA-N 2 2 275.396 1.504 50 0 CDAALP CCc1cc(N(C)Cc2ccc(N)[nH+]c2)nc(C)[nH+]1 ZINC000195572340 358567406 /nfs/dbraw/zinc/56/74/06/358567406.db2.gz CLJXBROGYQPGSQ-UHFFFAOYSA-N 2 2 257.341 1.961 50 0 CDAALP CC(C)n1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097594947 358786264 /nfs/dbraw/zinc/78/62/64/358786264.db2.gz ARGFFVGVQRSCKQ-MRXNPFEDSA-N 2 2 291.443 1.286 50 0 CDAALP CC(C)n1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097594947 358786273 /nfs/dbraw/zinc/78/62/73/358786273.db2.gz ARGFFVGVQRSCKQ-MRXNPFEDSA-N 2 2 291.443 1.286 50 0 CDAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000022029641 359014069 /nfs/dbraw/zinc/01/40/69/359014069.db2.gz MYZHMUCEOWWVOD-CABCVRRESA-N 2 2 278.396 1.500 50 0 CDAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000022029641 359014075 /nfs/dbraw/zinc/01/40/75/359014075.db2.gz MYZHMUCEOWWVOD-CABCVRRESA-N 2 2 278.396 1.500 50 0 CDAALP CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000426599773 360688001 /nfs/dbraw/zinc/68/80/01/360688001.db2.gz RJKNWRHSDAEVAP-AWEZNQCLSA-N 2 2 264.373 1.190 50 0 CDAALP CC[N@H+]1CCC[C@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000426599773 360688004 /nfs/dbraw/zinc/68/80/04/360688004.db2.gz RJKNWRHSDAEVAP-AWEZNQCLSA-N 2 2 264.373 1.190 50 0 CDAALP Cc1cnc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)nc1 ZINC000095357008 390910896 /nfs/dbraw/zinc/91/08/96/390910896.db2.gz UXXDDNGXXXOFGC-OAHLLOKOSA-N 2 2 289.427 1.249 50 0 CDAALP Cc1cnc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC000095357008 390910897 /nfs/dbraw/zinc/91/08/97/390910897.db2.gz UXXDDNGXXXOFGC-OAHLLOKOSA-N 2 2 289.427 1.249 50 0 CDAALP CC1(C)C[C@H](O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000395349646 391807875 /nfs/dbraw/zinc/80/78/75/391807875.db2.gz QZQIFXUTQFYYRH-CYBMUJFWSA-N 2 2 251.374 1.756 50 0 CDAALP CC1(C)C[C@H](O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000395349646 391807877 /nfs/dbraw/zinc/80/78/77/391807877.db2.gz QZQIFXUTQFYYRH-CYBMUJFWSA-N 2 2 251.374 1.756 50 0 CDAALP CCOc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1Cl ZINC000020177142 171042839 /nfs/dbraw/zinc/04/28/39/171042839.db2.gz AZYOJBWVEGJPNO-LLVKDONJSA-N 2 2 286.803 1.799 50 0 CDAALP CC(C)n1cc[nH+]c1CN1CC2(CC1=O)CC[NH+](C)CC2 ZINC000095519636 275786362 /nfs/dbraw/zinc/78/63/62/275786362.db2.gz BVOFPMQNPPSULN-UHFFFAOYSA-N 2 2 290.411 1.908 50 0 CDAALP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000176703357 288270900 /nfs/dbraw/zinc/27/09/00/288270900.db2.gz ZNGIQUBZGCYFTO-RISCZKNCSA-N 2 2 281.787 1.892 50 0 CDAALP CC[C@@H](C(=O)NCCCn1cc[nH+]c1)[N@H+](C)CC ZINC000822555097 1161928815 /nfs/dbraw/zinc/92/88/15/1161928815.db2.gz QBHMKZMZURSTOH-LBPRGKRZSA-N 2 2 252.362 1.120 50 0 CDAALP CC[C@@H](C(=O)NCCCn1cc[nH+]c1)[N@@H+](C)CC ZINC000822555097 1161928818 /nfs/dbraw/zinc/92/88/18/1161928818.db2.gz QBHMKZMZURSTOH-LBPRGKRZSA-N 2 2 252.362 1.120 50 0 CDAALP C[C@@H](C[NH+]1CCCC1)C(=O)N(C)CCn1cc[nH+]c1 ZINC000827627207 925951086 /nfs/dbraw/zinc/95/10/86/925951086.db2.gz QOQWQWVMIPUCMR-ZDUSSCGKSA-N 2 2 264.373 1.073 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000584892144 349351233 /nfs/dbraw/zinc/35/12/33/349351233.db2.gz QYCNSMYVRQMDGR-JTQLQIEISA-N 2 2 287.367 1.654 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[N@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000584892144 349351238 /nfs/dbraw/zinc/35/12/38/349351238.db2.gz QYCNSMYVRQMDGR-JTQLQIEISA-N 2 2 287.367 1.654 50 0 CDAALP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082119926 358147967 /nfs/dbraw/zinc/14/79/67/358147967.db2.gz AJTFYJNTEYBBMA-ZDUSSCGKSA-N 2 2 278.400 1.468 50 0 CDAALP CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082119926 358147970 /nfs/dbraw/zinc/14/79/70/358147970.db2.gz AJTFYJNTEYBBMA-ZDUSSCGKSA-N 2 2 278.400 1.468 50 0 CDAALP C[NH+](C)[C@@H](C(=O)NCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000095389047 358692347 /nfs/dbraw/zinc/69/23/47/358692347.db2.gz RRHJGZUDBTVBEP-OAHLLOKOSA-N 2 2 293.386 1.640 50 0 CDAALP CN(C)c1cc(NC(=O)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000000198570 359289894 /nfs/dbraw/zinc/28/98/94/359289894.db2.gz WYUMTIGEFJLITO-UHFFFAOYSA-N 2 2 272.352 1.801 50 0 biogenic CDAALP CN(Cc1cn2c([nH+]1)CCCC2)C[C@@H]1CCC[NH2+]C1 ZINC000261966942 359591434 /nfs/dbraw/zinc/59/14/34/359591434.db2.gz PZBQJXUIEWJRLH-CYBMUJFWSA-N 2 2 262.401 1.651 50 0 CDAALP CC[NH+](CC)CCn1c2ccccc2c2n[nH+]c(NN)nc21 ZINC000000530405 366535888 /nfs/dbraw/zinc/53/58/88/366535888.db2.gz UNSHOJAQTQULGG-UHFFFAOYSA-N 2 2 299.382 1.607 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000293603059 370709412 /nfs/dbraw/zinc/70/94/12/370709412.db2.gz LGSJUNCURCYXLE-LSDHHAIUSA-N 2 2 296.436 1.878 50 0 CDAALP COCc1noc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000331893919 204270120 /nfs/dbraw/zinc/27/01/20/204270120.db2.gz WHVUNIJXRLVOOK-JTQLQIEISA-N 2 2 277.328 1.319 50 0 CDAALP COCc1noc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000331893919 204270124 /nfs/dbraw/zinc/27/01/24/204270124.db2.gz WHVUNIJXRLVOOK-JTQLQIEISA-N 2 2 277.328 1.319 50 0 CDAALP Cc1[nH+]c[nH]c1CNc1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000299792357 372765225 /nfs/dbraw/zinc/76/52/25/372765225.db2.gz GDQCWQKCIICRLI-SECBINFHSA-N 2 2 274.328 1.206 50 0 CDAALP CC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C[C@H](C)O ZINC000107136554 373798687 /nfs/dbraw/zinc/79/86/87/373798687.db2.gz KSTFUXVVZPKJAJ-NWDGAFQWSA-N 2 2 289.383 1.239 50 0 CDAALP CC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1C[C@H](C)O ZINC000107136554 373798692 /nfs/dbraw/zinc/79/86/92/373798692.db2.gz KSTFUXVVZPKJAJ-NWDGAFQWSA-N 2 2 289.383 1.239 50 0 CDAALP CCOC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000067975568 390577146 /nfs/dbraw/zinc/57/71/46/390577146.db2.gz XIYGXTYZULYWIR-UHFFFAOYSA-N 2 2 277.368 1.465 50 0 CDAALP CCOC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000067975568 390577155 /nfs/dbraw/zinc/57/71/55/390577155.db2.gz XIYGXTYZULYWIR-UHFFFAOYSA-N 2 2 277.368 1.465 50 0 CDAALP Cc1c[nH]c(CNC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000426661366 391860093 /nfs/dbraw/zinc/86/00/93/391860093.db2.gz RAXPSKWSWUNTQG-LBPRGKRZSA-N 2 2 291.399 1.486 50 0 CDAALP Cc1c[nH]c(CNC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000426661366 391860095 /nfs/dbraw/zinc/86/00/95/391860095.db2.gz RAXPSKWSWUNTQG-LBPRGKRZSA-N 2 2 291.399 1.486 50 0 CDAALP C[N@H+](Cc1ccsc1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072166700 176331517 /nfs/dbraw/zinc/33/15/17/176331517.db2.gz ZMLKLMGFCWNFII-UHFFFAOYSA-N 2 2 262.382 1.680 50 0 CDAALP C[N@@H+](Cc1ccsc1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072166700 176331518 /nfs/dbraw/zinc/33/15/18/176331518.db2.gz ZMLKLMGFCWNFII-UHFFFAOYSA-N 2 2 262.382 1.680 50 0 CDAALP CCc1ccccc1OCC[N@@H+]1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772705226 1159439646 /nfs/dbraw/zinc/43/96/46/1159439646.db2.gz GAWAPFNLOXJMJS-NVXWUHKLSA-N 2 2 290.407 1.142 50 0 CDAALP CCc1ccccc1OCC[N@H+]1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772705226 1159439648 /nfs/dbraw/zinc/43/96/48/1159439648.db2.gz GAWAPFNLOXJMJS-NVXWUHKLSA-N 2 2 290.407 1.142 50 0 CDAALP CNc1ncccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000426622946 902750552 /nfs/dbraw/zinc/75/05/52/902750552.db2.gz MOKQUWPAWWWQOB-OAHLLOKOSA-N 2 2 260.385 1.699 50 0 CDAALP CNc1ncccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000426622946 902750561 /nfs/dbraw/zinc/75/05/61/902750561.db2.gz MOKQUWPAWWWQOB-OAHLLOKOSA-N 2 2 260.385 1.699 50 0 CDAALP Cc1[nH+]ccn1CCCN(C)C[C@H]1CCCC[N@@H+]1C ZINC000243956736 937588639 /nfs/dbraw/zinc/58/86/39/937588639.db2.gz CCZLXCAKDBMDIK-OAHLLOKOSA-N 2 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CCCN(C)C[C@H]1CCCC[N@H+]1C ZINC000243956736 937588640 /nfs/dbraw/zinc/58/86/40/937588640.db2.gz CCZLXCAKDBMDIK-OAHLLOKOSA-N 2 2 264.417 1.998 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000585117552 362046310 /nfs/dbraw/zinc/04/63/10/362046310.db2.gz LFRLBLBTBNEXCR-ZFWWWQNUSA-N 2 2 275.396 1.969 50 0 CDAALP Cc1cc(N2CC[NH+](C)CC2)[nH+]c2ccc(N)cc12 ZINC000017014089 356451888 /nfs/dbraw/zinc/45/18/88/356451888.db2.gz AEYTVTXTVQVNJQ-UHFFFAOYSA-N 2 2 256.353 1.877 50 0 CDAALP [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255602089 356759191 /nfs/dbraw/zinc/75/91/91/356759191.db2.gz MLWYFTSHBBNXSJ-BYPUDFOVSA-N 2 2 296.374 1.693 50 0 CDAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000095376079 358689564 /nfs/dbraw/zinc/68/95/64/358689564.db2.gz HGHVJBNSSSHUCA-CYBMUJFWSA-N 2 2 278.400 1.738 50 0 CDAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000095376079 358689566 /nfs/dbraw/zinc/68/95/66/358689566.db2.gz HGHVJBNSSSHUCA-CYBMUJFWSA-N 2 2 278.400 1.738 50 0 CDAALP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1Cl ZINC000094195521 363937691 /nfs/dbraw/zinc/93/76/91/363937691.db2.gz QTYLFVMBAFYLPO-SNVBAGLBSA-N 2 2 255.749 1.868 50 0 CDAALP CC(C)NC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000107515641 412800390 /nfs/dbraw/zinc/80/03/90/412800390.db2.gz RVLZQKRZMPYGSR-MELADBBJSA-N 2 2 269.433 1.608 50 0 CDAALP CC(C)NC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000107515641 412800393 /nfs/dbraw/zinc/80/03/93/412800393.db2.gz RVLZQKRZMPYGSR-MELADBBJSA-N 2 2 269.433 1.608 50 0 CDAALP CCc1nccc(C[N@H+](C)CCCc2[nH+]ccn2C)n1 ZINC000215960574 391003130 /nfs/dbraw/zinc/00/31/30/391003130.db2.gz WXKLXCBRICIJDO-UHFFFAOYSA-N 2 2 273.384 1.837 50 0 CDAALP CCc1nccc(C[N@@H+](C)CCCc2[nH+]ccn2C)n1 ZINC000215960574 391003135 /nfs/dbraw/zinc/00/31/35/391003135.db2.gz WXKLXCBRICIJDO-UHFFFAOYSA-N 2 2 273.384 1.837 50 0 CDAALP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000178006578 391755546 /nfs/dbraw/zinc/75/55/46/391755546.db2.gz DDWUKJXXZBTJCR-UHFFFAOYSA-N 2 2 274.368 1.364 50 0 CDAALP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261689181 140375041 /nfs/dbraw/zinc/37/50/41/140375041.db2.gz HMXZQTBFDPHWMX-ZDUSSCGKSA-N 2 2 278.400 1.676 50 0 CDAALP C[C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H]1C[NH3+] ZINC000179226521 274289844 /nfs/dbraw/zinc/28/98/44/274289844.db2.gz HARKAPMUXJLUDN-OCCSQVGLSA-N 2 2 299.378 1.467 50 0 CDAALP CCn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000585093601 482828788 /nfs/dbraw/zinc/82/87/88/482828788.db2.gz KEQQHIKEKHCBOC-HNNXBMFYSA-N 2 2 278.400 1.246 50 0 CDAALP C[NH+](C)C1(CNc2ncc(Cl)cn2)CC[NH+](C)CC1 ZINC000670456858 483035998 /nfs/dbraw/zinc/03/59/98/483035998.db2.gz LYPPAGOJIZVFFI-UHFFFAOYSA-N 2 2 283.807 1.568 50 0 CDAALP CSCC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000670458889 483040512 /nfs/dbraw/zinc/04/05/12/483040512.db2.gz MLCXUULUGFJNFC-UHFFFAOYSA-N 2 2 299.484 1.226 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000670459548 483040968 /nfs/dbraw/zinc/04/09/68/483040968.db2.gz MYCAPIZWBKORPG-UHFFFAOYSA-N 2 2 259.357 1.565 50 0 CDAALP Cc1cc(C(N)=O)c(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]c1C ZINC001704313376 1177686628 /nfs/dbraw/zinc/68/66/28/1177686628.db2.gz OXAZKAKFOBKDGR-CYBMUJFWSA-N 2 2 290.411 1.941 50 0 CDAALP Cc1cc(C(N)=O)c(NCC[C@H]2CCC[N@H+](C)C2)[nH+]c1C ZINC001704313376 1177686634 /nfs/dbraw/zinc/68/66/34/1177686634.db2.gz OXAZKAKFOBKDGR-CYBMUJFWSA-N 2 2 290.411 1.941 50 0 CDAALP COC(C)(C)CNc1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000252551378 362393496 /nfs/dbraw/zinc/39/34/96/362393496.db2.gz UDKXWUFTQKGCKX-DTORHVGOSA-N 2 2 265.361 1.100 50 0 CDAALP Nc1nc(N2CCC(F)(F)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222326552 136583642 /nfs/dbraw/zinc/58/36/42/136583642.db2.gz CKENLCVQJMTVAS-UHFFFAOYSA-N 2 2 283.326 1.499 50 0 CDAALP C[C@H](C[N@H+](C)CCO)[NH2+]Cc1cnc2ccccc2c1 ZINC000584888931 349346972 /nfs/dbraw/zinc/34/69/72/349346972.db2.gz HCJWPRSNEMGYMV-CYBMUJFWSA-N 2 2 273.380 1.637 50 0 CDAALP C[C@H](C[N@@H+](C)CCO)[NH2+]Cc1cnc2ccccc2c1 ZINC000584888931 349346977 /nfs/dbraw/zinc/34/69/77/349346977.db2.gz HCJWPRSNEMGYMV-CYBMUJFWSA-N 2 2 273.380 1.637 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCCCC[N@@H+]2C)[nH+]1 ZINC000091535069 180182169 /nfs/dbraw/zinc/18/21/69/180182169.db2.gz JGXYGGPWGDEONK-LBPRGKRZSA-N 2 2 264.373 1.551 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCCCC[N@H+]2C)[nH+]1 ZINC000091535069 180182171 /nfs/dbraw/zinc/18/21/71/180182171.db2.gz JGXYGGPWGDEONK-LBPRGKRZSA-N 2 2 264.373 1.551 50 0 CDAALP CCc1[nH+]ccn1CCCNc1nc(N)[nH+]cc1C ZINC000092046427 180310902 /nfs/dbraw/zinc/31/09/02/180310902.db2.gz CVULMTFDWRHZJV-UHFFFAOYSA-N 2 2 260.345 1.628 50 0 CDAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000013694380 365960823 /nfs/dbraw/zinc/96/08/23/365960823.db2.gz MUGFJOQBFDVQOP-UHFFFAOYSA-N 2 2 274.343 1.881 50 0 CDAALP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@H]1C ZINC000093193981 351321174 /nfs/dbraw/zinc/32/11/74/351321174.db2.gz MFJCFWOMZNGVGY-ZIAGYGMSSA-N 2 2 267.417 1.127 50 0 CDAALP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002380317 355968203 /nfs/dbraw/zinc/96/82/03/355968203.db2.gz SLWQNNULQQDKPW-UHFFFAOYSA-N 2 2 264.369 1.507 50 0 CDAALP CNc1cc[nH+]c(N(C)CC[N@@H+]2CCCC[C@H]2C)n1 ZINC000065405013 357538071 /nfs/dbraw/zinc/53/80/71/357538071.db2.gz CQZPUYVQCBICBE-GFCCVEGCSA-N 2 2 263.389 1.829 50 0 CDAALP CNc1cc[nH+]c(N(C)CC[N@H+]2CCCC[C@H]2C)n1 ZINC000065405013 357538073 /nfs/dbraw/zinc/53/80/73/357538073.db2.gz CQZPUYVQCBICBE-GFCCVEGCSA-N 2 2 263.389 1.829 50 0 CDAALP O=C(C[NH+]1CCCCCC1)NCC1(Cn2cc[nH+]c2)CC1 ZINC000065409858 357539360 /nfs/dbraw/zinc/53/93/60/357539360.db2.gz NBIQEJQDCKMWBU-UHFFFAOYSA-N 2 2 290.411 1.656 50 0 CDAALP Cc1cc[nH+]c(NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000195539188 358559906 /nfs/dbraw/zinc/55/99/06/358559906.db2.gz SUWUCNZSPNSSFJ-UHFFFAOYSA-N 2 2 292.427 1.192 50 0 CDAALP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1c[nH+]c[nH]1 ZINC000095368325 358686630 /nfs/dbraw/zinc/68/66/30/358686630.db2.gz MAULNXPKWLLDCH-OAHLLOKOSA-N 2 2 284.363 1.125 50 0 CDAALP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1c[nH+]c[nH]1 ZINC000095368325 358686632 /nfs/dbraw/zinc/68/66/32/358686632.db2.gz MAULNXPKWLLDCH-OAHLLOKOSA-N 2 2 284.363 1.125 50 0 CDAALP CC[NH+](CC)CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000014964123 359082253 /nfs/dbraw/zinc/08/22/53/359082253.db2.gz AKHUUTCXDYKXON-UHFFFAOYSA-N 2 2 264.373 1.106 50 0 CDAALP Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)nc(C)[nH+]1 ZINC000040051217 359548741 /nfs/dbraw/zinc/54/87/41/359548741.db2.gz JLOFFVYRMSPKBD-UHFFFAOYSA-N 2 2 299.378 1.937 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000293603040 391658444 /nfs/dbraw/zinc/65/84/44/391658444.db2.gz LGSJUNCURCYXLE-CABCVRRESA-N 2 2 296.436 1.878 50 0 CDAALP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000534576053 328309793 /nfs/dbraw/zinc/30/97/93/328309793.db2.gz ORIJUWCBFOFVIJ-LLVKDONJSA-N 2 2 274.372 1.297 50 0 CDAALP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000534659528 328342269 /nfs/dbraw/zinc/34/22/69/328342269.db2.gz HOLHRQPAQGHXLL-GFCCVEGCSA-N 2 2 291.399 1.220 50 0 CDAALP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000534659528 328342270 /nfs/dbraw/zinc/34/22/70/328342270.db2.gz HOLHRQPAQGHXLL-GFCCVEGCSA-N 2 2 291.399 1.220 50 0 CDAALP C[NH+](C)[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000534676913 328352111 /nfs/dbraw/zinc/35/21/11/328352111.db2.gz RHYWQNRGBXEUHF-CQSZACIVSA-N 2 2 290.342 1.510 50 0 CDAALP Cc1cc(NC[C@@H]2CC[NH2+]C[C@H]2O)nc(-c2ccccc2)[nH+]1 ZINC000072438355 327110479 /nfs/dbraw/zinc/11/04/79/327110479.db2.gz BWROFYHDOHAMFN-LSDHHAIUSA-N 2 2 298.390 1.834 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nncn1C(C)C ZINC000670450638 483009193 /nfs/dbraw/zinc/00/91/93/483009193.db2.gz ZFSVDUJZTKNGGZ-GFCCVEGCSA-N 2 2 276.388 1.796 50 0 CDAALP COC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000096008646 185064018 /nfs/dbraw/zinc/06/40/18/185064018.db2.gz QDOGYEBINDMVAX-CYBMUJFWSA-N 2 2 279.384 1.937 50 0 CDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000097019596 185152474 /nfs/dbraw/zinc/15/24/74/185152474.db2.gz UAEOLGVUDHYLTM-LLVKDONJSA-N 2 2 272.352 1.158 50 0 CDAALP C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000125582456 187191678 /nfs/dbraw/zinc/19/16/78/187191678.db2.gz NSQVXHDSSXLMRW-GBXSZLQWSA-N 2 2 296.374 1.706 50 0 CDAALP Cc1c[nH+]c(N[C@H](C)CC[NH+]2CCOCC2)nc1N(C)C ZINC000065431047 357541394 /nfs/dbraw/zinc/54/13/94/357541394.db2.gz NWTAOPQKVFQIJL-CYBMUJFWSA-N 2 2 293.415 1.374 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2nonc2c1 ZINC000067563158 357613191 /nfs/dbraw/zinc/61/31/91/357613191.db2.gz QFKLWOVHYMYTJF-JTQLQIEISA-N 2 2 257.297 1.598 50 0 CDAALP Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000067894474 357635376 /nfs/dbraw/zinc/63/53/76/357635376.db2.gz DCPXXILVFNFJSO-UHFFFAOYSA-N 2 2 286.383 1.612 50 0 CDAALP CC(=O)NCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200741 358188402 /nfs/dbraw/zinc/18/84/02/358188402.db2.gz YZSQZTHVIIWSEE-CQSZACIVSA-N 2 2 276.384 1.342 50 0 CDAALP CC(=O)NCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200741 358188403 /nfs/dbraw/zinc/18/84/03/358188403.db2.gz YZSQZTHVIIWSEE-CQSZACIVSA-N 2 2 276.384 1.342 50 0 CDAALP C[NH2+]CCCNC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097272486 358763859 /nfs/dbraw/zinc/76/38/59/358763859.db2.gz CUJIKHNHCVWIGE-UHFFFAOYSA-N 2 2 258.325 1.416 50 0 CDAALP C[C@H]1C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@@H+]1C ZINC000095421833 374924178 /nfs/dbraw/zinc/92/41/78/374924178.db2.gz XUILBISTRDRGNR-RYUDHWBXSA-N 2 2 271.405 1.583 50 0 CDAALP C[C@H]1C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@H+]1C ZINC000095421833 374924182 /nfs/dbraw/zinc/92/41/82/374924182.db2.gz XUILBISTRDRGNR-RYUDHWBXSA-N 2 2 271.405 1.583 50 0 CDAALP CCCCCNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972685 375044717 /nfs/dbraw/zinc/04/47/17/375044717.db2.gz WGZYRFHELRMAEX-ZDUSSCGKSA-N 2 2 278.400 1.896 50 0 CDAALP CCCCCNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972685 375044724 /nfs/dbraw/zinc/04/47/24/375044724.db2.gz WGZYRFHELRMAEX-ZDUSSCGKSA-N 2 2 278.400 1.896 50 0 CDAALP [NH3+]C[C@H]1C[N@H+](Cc2cccc3cnccc32)CCO1 ZINC000426535469 391566809 /nfs/dbraw/zinc/56/68/09/391566809.db2.gz LWJYAGPOVBBZHQ-AWEZNQCLSA-N 2 2 257.337 1.394 50 0 CDAALP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCO1 ZINC000426535469 391566811 /nfs/dbraw/zinc/56/68/11/391566811.db2.gz LWJYAGPOVBBZHQ-AWEZNQCLSA-N 2 2 257.337 1.394 50 0 CDAALP Cc1cc(C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)no1 ZINC000020820147 171273482 /nfs/dbraw/zinc/27/34/82/171273482.db2.gz LXFOKBXGURQZEA-AWEZNQCLSA-N 2 2 293.411 1.916 50 0 CDAALP COc1cc2nc(N(C)CCC[NH3+])[nH+]c(N)c2cc1OC ZINC000022048332 171350678 /nfs/dbraw/zinc/35/06/78/171350678.db2.gz HVTJQTPDNHTWGI-UHFFFAOYSA-N 2 2 291.355 1.014 50 0 in-vitro CDAALP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077456196 177271419 /nfs/dbraw/zinc/27/14/19/177271419.db2.gz GTWQSTIVQCENSY-HNNXBMFYSA-N 2 2 290.411 1.750 50 0 CDAALP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000534576055 328309786 /nfs/dbraw/zinc/30/97/86/328309786.db2.gz ORIJUWCBFOFVIJ-NSHDSACASA-N 2 2 274.372 1.297 50 0 CDAALP Cc1cc(N2CC[NH+](Cc3cccn3C)CC2)nc(C)[nH+]1 ZINC000092703907 482633257 /nfs/dbraw/zinc/63/32/57/482633257.db2.gz QDANLMGAIUMACG-UHFFFAOYSA-N 2 2 285.395 1.754 50 0 CDAALP Cc1nc(NCC2(O)CC[NH+](C)CC2)c(C(C)C)c[nH+]1 ZINC000670467125 483057695 /nfs/dbraw/zinc/05/76/95/483057695.db2.gz VWHRLTNEDPFWEB-UHFFFAOYSA-N 2 2 278.400 1.777 50 0 CDAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](C)CC1 ZINC000077438207 537706516 /nfs/dbraw/zinc/70/65/16/537706516.db2.gz NGDJTWJKMWKYRX-UHFFFAOYSA-N 2 2 251.378 1.169 50 0 CDAALP CN(C)c1ncc(C[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690446 925721585 /nfs/dbraw/zinc/72/15/85/925721585.db2.gz YBRDPBBZIVRXTC-CQSZACIVSA-N 2 2 291.443 1.705 50 0 CDAALP CN(C)c1ncc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690446 925721594 /nfs/dbraw/zinc/72/15/94/925721594.db2.gz YBRDPBBZIVRXTC-CQSZACIVSA-N 2 2 291.443 1.705 50 0 CDAALP CN(C)c1ncc(C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)cn1 ZINC000823690446 925721608 /nfs/dbraw/zinc/72/16/08/925721608.db2.gz YBRDPBBZIVRXTC-CQSZACIVSA-N 2 2 291.443 1.705 50 0 CDAALP CN(C)c1ncc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)cn1 ZINC000823690446 925721613 /nfs/dbraw/zinc/72/16/13/925721613.db2.gz YBRDPBBZIVRXTC-CQSZACIVSA-N 2 2 291.443 1.705 50 0 CDAALP COCCC[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC001529089681 968979684 /nfs/dbraw/zinc/97/96/84/968979684.db2.gz WLCHZXLFJLCZHW-LBPRGKRZSA-N 2 2 267.348 1.413 50 0 CDAALP COCCC[N@H+]1CC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC001529089681 968979691 /nfs/dbraw/zinc/97/96/91/968979691.db2.gz WLCHZXLFJLCZHW-LBPRGKRZSA-N 2 2 267.348 1.413 50 0 CDAALP O[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC001506406602 975151760 /nfs/dbraw/zinc/15/17/60/975151760.db2.gz LYUODQQMGGJVAR-IRXDYDNUSA-N 2 2 299.374 1.117 50 0 CDAALP CCNC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065542370 361914387 /nfs/dbraw/zinc/91/43/87/361914387.db2.gz BZVMTIHHIKSTAA-CYBMUJFWSA-N 2 2 276.384 1.342 50 0 CDAALP CCNC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065542370 361914390 /nfs/dbraw/zinc/91/43/90/361914390.db2.gz BZVMTIHHIKSTAA-CYBMUJFWSA-N 2 2 276.384 1.342 50 0 CDAALP COCc1nc(C[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000584889329 349347853 /nfs/dbraw/zinc/34/78/53/349347853.db2.gz PLGVNQKJELISJQ-UHFFFAOYSA-N 2 2 273.340 1.405 50 0 CDAALP OC[C@H]1C[N@H+](Cc2ccccn2)C[C@H]1C[NH+]1CCCC1 ZINC000091694014 180228752 /nfs/dbraw/zinc/22/87/52/180228752.db2.gz LKASZRDHYJUQPE-HUUCEWRRSA-N 2 2 275.396 1.218 50 0 CDAALP OC[C@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C[NH+]1CCCC1 ZINC000091694014 180228753 /nfs/dbraw/zinc/22/87/53/180228753.db2.gz LKASZRDHYJUQPE-HUUCEWRRSA-N 2 2 275.396 1.218 50 0 CDAALP [NH3+]C1CC[NH+](C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000114836768 350861718 /nfs/dbraw/zinc/86/17/18/350861718.db2.gz FYVPTKUQGAZWIY-HIFRSBDPSA-N 3 2 251.418 1.674 50 0 CDAALP [NH3+]C1CC[NH+](C[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000114836768 350861722 /nfs/dbraw/zinc/86/17/22/350861722.db2.gz FYVPTKUQGAZWIY-HIFRSBDPSA-N 3 2 251.418 1.674 50 0 CDAALP C[C@@H](CN(C)c1[nH+]cnc2[nH]ccc21)[NH+]1CCOCC1 ZINC000065456397 363277445 /nfs/dbraw/zinc/27/74/45/363277445.db2.gz UAKNEWCXIOJCIE-NSHDSACASA-N 2 2 275.356 1.115 50 0 CDAALP COc1ccc(OC)c(C[NH2+]CCC[NH+](C)C)c1 ZINC000019737217 356498880 /nfs/dbraw/zinc/49/88/80/356498880.db2.gz ONGQSFWKBSVVEB-UHFFFAOYSA-N 2 2 252.358 1.745 50 0 CDAALP CC(C)c1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1 ZINC000019990554 356520788 /nfs/dbraw/zinc/52/07/88/356520788.db2.gz YQAZCKAREPWUCF-ZDUSSCGKSA-N 2 2 250.386 1.870 50 0 CDAALP Cc1cc(F)ccc1NC(=O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000067818672 357628461 /nfs/dbraw/zinc/62/84/61/357628461.db2.gz PTNXDMAQRXCVMG-GFCCVEGCSA-N 2 2 290.342 1.947 50 0 CDAALP Cc1cccnc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000077424970 358018723 /nfs/dbraw/zinc/01/87/23/358018723.db2.gz IOVFIGUIYYLEES-CQSZACIVSA-N 2 2 260.385 1.122 50 0 CDAALP CCn1cc(C[N@H+](C)C[C@@H]2CC[NH+](CCOC)C2)cn1 ZINC000097532338 358782597 /nfs/dbraw/zinc/78/25/97/358782597.db2.gz ADKAZLIEYUEZAJ-AWEZNQCLSA-N 2 2 280.416 1.303 50 0 CDAALP CCn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](CCOC)C2)cn1 ZINC000097532338 358782601 /nfs/dbraw/zinc/78/26/01/358782601.db2.gz ADKAZLIEYUEZAJ-AWEZNQCLSA-N 2 2 280.416 1.303 50 0 CDAALP CCn1cc(C[NH+](C)C[C@@H]2CC[N@H+](CCOC)C2)cn1 ZINC000097532338 358782603 /nfs/dbraw/zinc/78/26/03/358782603.db2.gz ADKAZLIEYUEZAJ-AWEZNQCLSA-N 2 2 280.416 1.303 50 0 CDAALP CCn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000097532338 358782607 /nfs/dbraw/zinc/78/26/07/358782607.db2.gz ADKAZLIEYUEZAJ-AWEZNQCLSA-N 2 2 280.416 1.303 50 0 CDAALP Cc1cc(C)nc(NC(=[NH2+])NCCCn2cc[nH+]c2)n1 ZINC000003765658 370773248 /nfs/dbraw/zinc/77/32/48/370773248.db2.gz CHHZVWUPROCBKC-UHFFFAOYSA-N 2 2 273.344 1.317 50 0 CDAALP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000370663758 370119169 /nfs/dbraw/zinc/11/91/69/370119169.db2.gz YEGARTBOAYUKGM-CQSZACIVSA-N 2 2 262.401 1.731 50 0 CDAALP CCNC(=O)C[N@@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000108323220 412825042 /nfs/dbraw/zinc/82/50/42/412825042.db2.gz BXXHIUKYTMFACF-UXLLHSPISA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[N@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000108323220 412825046 /nfs/dbraw/zinc/82/50/46/412825046.db2.gz BXXHIUKYTMFACF-UXLLHSPISA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[NH+]1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000108323220 412825049 /nfs/dbraw/zinc/82/50/49/412825049.db2.gz BXXHIUKYTMFACF-UXLLHSPISA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[NH+]1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000108323220 412825051 /nfs/dbraw/zinc/82/50/51/412825051.db2.gz BXXHIUKYTMFACF-UXLLHSPISA-N 2 2 287.407 1.357 50 0 CDAALP COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C2)cn1 ZINC000095420410 374923586 /nfs/dbraw/zinc/92/35/86/374923586.db2.gz MEFLVUJUMLGTMG-GXTWGEPZSA-N 2 2 279.384 1.289 50 0 CDAALP COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C2)cn1 ZINC000095420410 374923589 /nfs/dbraw/zinc/92/35/89/374923589.db2.gz MEFLVUJUMLGTMG-GXTWGEPZSA-N 2 2 279.384 1.289 50 0 CDAALP CCCc1[nH+]ccn1C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000095438669 374939034 /nfs/dbraw/zinc/93/90/34/374939034.db2.gz RTOIJHSTFSBJHW-HZSPNIEDSA-N 2 2 281.400 1.306 50 0 CDAALP CCCc1[nH+]ccn1C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000095438669 374939041 /nfs/dbraw/zinc/93/90/41/374939041.db2.gz RTOIJHSTFSBJHW-HZSPNIEDSA-N 2 2 281.400 1.306 50 0 CDAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cnc(N)s2)C1 ZINC000670466649 483056517 /nfs/dbraw/zinc/05/65/17/483056517.db2.gz VTRXNYZEMBHRGK-LLVKDONJSA-N 2 2 284.429 1.125 50 0 CDAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cnc(N)s2)C1 ZINC000670466649 483056525 /nfs/dbraw/zinc/05/65/25/483056525.db2.gz VTRXNYZEMBHRGK-LLVKDONJSA-N 2 2 284.429 1.125 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cnc(N)s2)C1 ZINC000670466649 483056530 /nfs/dbraw/zinc/05/65/30/483056530.db2.gz VTRXNYZEMBHRGK-LLVKDONJSA-N 2 2 284.429 1.125 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cnc(N)s2)C1 ZINC000670466649 483056534 /nfs/dbraw/zinc/05/65/34/483056534.db2.gz VTRXNYZEMBHRGK-LLVKDONJSA-N 2 2 284.429 1.125 50 0 CDAALP COc1cccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000223887512 533518326 /nfs/dbraw/zinc/51/83/26/533518326.db2.gz XTQYULZWCHSZDY-UHFFFAOYSA-N 2 2 299.378 1.884 50 0 CDAALP C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccn2c[nH+]cc2c1 ZINC000097107139 397605255 /nfs/dbraw/zinc/60/52/55/397605255.db2.gz IASRCMGFDBMWAX-GFCCVEGCSA-N 2 2 289.335 1.212 50 0 CDAALP CC1CC[NH+](CCC[NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000026226192 171476230 /nfs/dbraw/zinc/47/62/30/171476230.db2.gz MAWJUTSZKDCCCO-INIZCTEOSA-N 2 2 289.423 1.925 50 0 CDAALP FC(F)(F)C1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072169486 176332606 /nfs/dbraw/zinc/33/26/06/176332606.db2.gz RVXHWCSQPSXDQD-UHFFFAOYSA-N 2 2 288.317 1.761 50 0 CDAALP Oc1cccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077392943 177262949 /nfs/dbraw/zinc/26/29/49/177262949.db2.gz XBDRDYYWYPCPLL-QGZVFWFLSA-N 2 2 290.407 1.815 50 0 CDAALP Oc1cccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077392943 177262950 /nfs/dbraw/zinc/26/29/50/177262950.db2.gz XBDRDYYWYPCPLL-QGZVFWFLSA-N 2 2 290.407 1.815 50 0 CDAALP OC1CC[NH+](CCCNc2[nH+]ccc3ccccc32)CC1 ZINC000527851565 281205963 /nfs/dbraw/zinc/20/59/63/281205963.db2.gz KZCDUQYZZSLWDT-UHFFFAOYSA-N 2 2 285.391 1.915 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+]1CCc2nocc2C1 ZINC000670446636 482997977 /nfs/dbraw/zinc/99/79/77/482997977.db2.gz OUXWIGKWWMXIKX-NSHDSACASA-N 2 2 260.341 1.880 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[N@H+]1CCc2nocc2C1 ZINC000670446636 482997979 /nfs/dbraw/zinc/99/79/79/482997979.db2.gz OUXWIGKWWMXIKX-NSHDSACASA-N 2 2 260.341 1.880 50 0 CDAALP CC(C)CC1(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1 ZINC000827530303 925944246 /nfs/dbraw/zinc/94/42/46/925944246.db2.gz GBQDGTAADUVLFG-ZDUSSCGKSA-N 2 2 278.400 1.612 50 0 CDAALP Nc1nc(NCc2[nH]nc3c2CCC3)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000252527844 362392179 /nfs/dbraw/zinc/39/21/79/362392179.db2.gz DMHAPOQOXFOWTH-DTORHVGOSA-N 2 2 299.382 1.087 50 0 CDAALP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000104719989 348727994 /nfs/dbraw/zinc/72/79/94/348727994.db2.gz LEJDIVVJKCPEIB-CQSZACIVSA-N 2 2 277.368 1.391 50 0 CDAALP C[C@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)OCO2 ZINC000090649271 180018059 /nfs/dbraw/zinc/01/80/59/180018059.db2.gz LIRPGXFIBQLNJG-GXTWGEPZSA-N 2 2 289.379 1.066 50 0 CDAALP OC[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091665152 180221243 /nfs/dbraw/zinc/22/12/43/180221243.db2.gz PAOWGMVNXPBOSH-HUUCEWRRSA-N 2 2 292.427 1.326 50 0 CDAALP C[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc(OCCO)cc2)C1 ZINC000092037556 180310090 /nfs/dbraw/zinc/31/00/90/180310090.db2.gz RZYIXOFWCHKFDC-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc(OCCO)cc2)C1 ZINC000092037556 180310092 /nfs/dbraw/zinc/31/00/92/180310092.db2.gz RZYIXOFWCHKFDC-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP C[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(OCCO)cc2)C1 ZINC000092037556 180310094 /nfs/dbraw/zinc/31/00/94/180310094.db2.gz RZYIXOFWCHKFDC-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(OCCO)cc2)C1 ZINC000092037556 180310097 /nfs/dbraw/zinc/31/00/97/180310097.db2.gz RZYIXOFWCHKFDC-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP Cc1[nH]c(CN(C)CC(C)(C)C[NH+]2CCOCC2)[nH+]c1C ZINC000583651313 366009747 /nfs/dbraw/zinc/00/97/47/366009747.db2.gz KTKFPJISFWWLFL-UHFFFAOYSA-N 2 2 294.443 1.817 50 0 CDAALP COC(=O)CC1([NH2+]Cc2cccc(O)c2)CC[NH+](C)CC1 ZINC000088744431 366495307 /nfs/dbraw/zinc/49/53/07/366495307.db2.gz ASDWOWRUKSVXRZ-UHFFFAOYSA-N 2 2 292.379 1.509 50 0 CDAALP CCc1[nH+]c(C)ccc1OCC(=O)NCC[NH+](C)C ZINC000002024798 367639131 /nfs/dbraw/zinc/63/91/31/367639131.db2.gz XQRSCXQMNOQZLL-UHFFFAOYSA-N 2 2 265.357 1.009 50 0 CDAALP CCCc1c[nH+]c(C)nc1NCCC[NH+]1CCC(O)CC1 ZINC000670460778 483046251 /nfs/dbraw/zinc/04/62/51/483046251.db2.gz VJEJOQOXURHTEL-UHFFFAOYSA-N 2 2 292.427 1.996 50 0 CDAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000670469367 483063368 /nfs/dbraw/zinc/06/33/68/483063368.db2.gz KTXXYUILYVPBAK-UHFFFAOYSA-N 2 2 283.379 1.811 50 0 CDAALP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000090648929 483281946 /nfs/dbraw/zinc/28/19/46/483281946.db2.gz PUANHGYPGMECAR-CHWSQXEVSA-N 2 2 265.426 1.707 50 0 CDAALP CC(C)n1c[nH+]cc1CSc1nnc(CC[NH3+])n1C ZINC000720990868 792426509 /nfs/dbraw/zinc/42/65/09/792426509.db2.gz YYYKGVMDLPMQQN-UHFFFAOYSA-N 2 2 280.401 1.386 50 0 CDAALP O=C1CC[C@@H]([NH+]2CCC(Cn3cc[nH+]c3)CC2)CCN1 ZINC000828305666 926098140 /nfs/dbraw/zinc/09/81/40/926098140.db2.gz RXRDGARDZUUREH-CQSZACIVSA-N 2 2 276.384 1.264 50 0 CDAALP COc1coc(C[N@H+](C)CCn2cc[nH+]c2C)cc1=O ZINC000244811460 361865205 /nfs/dbraw/zinc/86/52/05/361865205.db2.gz SDCWFYAFXLYWAW-UHFFFAOYSA-N 2 2 277.324 1.285 50 0 CDAALP COc1coc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1=O ZINC000244811460 361865213 /nfs/dbraw/zinc/86/52/13/361865213.db2.gz SDCWFYAFXLYWAW-UHFFFAOYSA-N 2 2 277.324 1.285 50 0 CDAALP CCn1c(C[N@H+](C)CCSC)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253378475 362425539 /nfs/dbraw/zinc/42/55/39/362425539.db2.gz GJQKLOOMOWVREN-PHIMTYICSA-N 2 2 283.445 1.298 50 0 CDAALP CCn1c(C[N@@H+](C)CCSC)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253378475 362425547 /nfs/dbraw/zinc/42/55/47/362425547.db2.gz GJQKLOOMOWVREN-PHIMTYICSA-N 2 2 283.445 1.298 50 0 CDAALP [NH3+]Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000019276381 356478738 /nfs/dbraw/zinc/47/87/38/356478738.db2.gz YPTGVBTULAQOKA-UHFFFAOYSA-N 2 2 269.352 1.262 50 0 CDAALP CC(C)C[NH+]1CCC([NH2+]CCSc2c[nH]nn2)CC1 ZINC000067605237 357614232 /nfs/dbraw/zinc/61/42/32/357614232.db2.gz URHVVUPEGHAFGN-UHFFFAOYSA-N 2 2 283.445 1.607 50 0 CDAALP CC(C)C[NH+]1CCC([NH2+]CCSc2cn[nH]n2)CC1 ZINC000067605237 357614241 /nfs/dbraw/zinc/61/42/41/357614241.db2.gz URHVVUPEGHAFGN-UHFFFAOYSA-N 2 2 283.445 1.607 50 0 CDAALP C[NH+](C)[C@@H](C(=O)NCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000095354260 358683939 /nfs/dbraw/zinc/68/39/39/358683939.db2.gz WJCQBAQRZFLVBX-OAHLLOKOSA-N 2 2 293.386 1.640 50 0 CDAALP Cc1nn(CCO)c(C)c1C[N@H+](C)CCn1cc[nH+]c1C ZINC000215287058 358882249 /nfs/dbraw/zinc/88/22/49/358882249.db2.gz CHTZBXBBGVLYSA-UHFFFAOYSA-N 2 2 291.399 1.129 50 0 CDAALP Cc1nn(CCO)c(C)c1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000215287058 358882252 /nfs/dbraw/zinc/88/22/52/358882252.db2.gz CHTZBXBBGVLYSA-UHFFFAOYSA-N 2 2 291.399 1.129 50 0 CDAALP Cc1[nH]c(CN2CCC(O)(C[NH+]3CCCC3)CC2)c[nH+]1 ZINC000216460686 358946698 /nfs/dbraw/zinc/94/66/98/358946698.db2.gz UMWGTODJRDCMOP-UHFFFAOYSA-N 2 2 278.400 1.141 50 0 CDAALP Cc1[nH]cc(CN2CCC(O)(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000216460686 358946701 /nfs/dbraw/zinc/94/67/01/358946701.db2.gz UMWGTODJRDCMOP-UHFFFAOYSA-N 2 2 278.400 1.141 50 0 CDAALP CCOCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000096425913 390517402 /nfs/dbraw/zinc/51/74/02/390517402.db2.gz OMFUOUGAUWGSAD-UHFFFAOYSA-N 2 2 297.443 1.089 50 0 CDAALP C[C@@H]1CCCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000089929840 135060883 /nfs/dbraw/zinc/06/08/83/135060883.db2.gz WAHFVMYYARNGSH-CYBMUJFWSA-N 2 2 275.400 1.465 50 0 CDAALP C[C@@H](CCC(=O)N1CCn2c[nH+]cc2C1)[NH+]1CCCC1 ZINC000072161682 176329806 /nfs/dbraw/zinc/32/98/06/176329806.db2.gz GGSAGRUTVDYOOR-ZDUSSCGKSA-N 2 2 276.384 1.490 50 0 CDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H](C)[NH+](C)C ZINC000426551743 902601017 /nfs/dbraw/zinc/60/10/17/902601017.db2.gz CZWULQVBKLTIQG-JTQLQIEISA-N 2 2 270.402 1.018 50 0 CDAALP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)CCCn2cc[nH+]c2)C1 ZINC001506402948 975150574 /nfs/dbraw/zinc/15/05/74/975150574.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 3 2 264.417 1.935 50 0 CDAALP CC(C)[N@H+]1CC[C@@H](C[NH+](C)CCCn2cc[nH+]c2)C1 ZINC001506402948 975150575 /nfs/dbraw/zinc/15/05/75/975150575.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 3 2 264.417 1.935 50 0 CDAALP CC(C)[NH+]1CC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC001506402948 975150577 /nfs/dbraw/zinc/15/05/77/975150577.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 3 2 264.417 1.935 50 0 CDAALP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC001506402948 975150578 /nfs/dbraw/zinc/15/05/78/975150578.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 3 2 264.417 1.935 50 0 CDAALP Cc1cc(N2CCC[N@@H+](CCc3[nH+]ccn3C)CC2)cc[nH+]1 ZINC001506418295 975157445 /nfs/dbraw/zinc/15/74/45/975157445.db2.gz GYGIWFSGYHXDMS-UHFFFAOYSA-N 3 2 299.422 1.878 50 0 CDAALP Cc1cc(N2CCC[N@H+](CCc3[nH+]ccn3C)CC2)cc[nH+]1 ZINC001506418295 975157446 /nfs/dbraw/zinc/15/74/46/975157446.db2.gz GYGIWFSGYHXDMS-UHFFFAOYSA-N 3 2 299.422 1.878 50 0 CDAALP C[C@H](CCc1ccccc1)NC(=O)C[NH2+]CCC[NH+](C)C ZINC000002632784 230367353 /nfs/dbraw/zinc/36/73/53/230367353.db2.gz DLOHZKDIBOAONQ-OAHLLOKOSA-N 2 2 291.439 1.665 50 0 CDAALP CCn1cc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)cn1 ZINC000244708092 361858368 /nfs/dbraw/zinc/85/83/68/361858368.db2.gz KNJLWRKPCPMHIP-PHIMTYICSA-N 2 2 287.371 1.092 50 0 CDAALP COC1(OC)CCOC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000685943206 539046033 /nfs/dbraw/zinc/04/60/33/539046033.db2.gz GBFWSHGBCPXDCW-AWEZNQCLSA-N 2 2 280.368 1.300 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@@H+]([C@H]3C[C@H](C)OC3=O)C2)[nH+]c1 ZINC000230165295 349773701 /nfs/dbraw/zinc/77/37/01/349773701.db2.gz VSASMZSSGSEMJL-IHRRRGAJSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@H+]([C@H]3C[C@H](C)OC3=O)C2)[nH+]c1 ZINC000230165295 349773706 /nfs/dbraw/zinc/77/37/06/349773706.db2.gz VSASMZSSGSEMJL-IHRRRGAJSA-N 2 2 289.379 1.828 50 0 CDAALP OCC[NH2+]CC[NH2+]Cc1cccc(Br)c1 ZINC000023256562 356637830 /nfs/dbraw/zinc/63/78/30/356637830.db2.gz ANVIRLPLCAWTGU-UHFFFAOYSA-N 2 2 273.174 1.121 50 0 CDAALP CCCc1nc(NCC[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000065369903 357531877 /nfs/dbraw/zinc/53/18/77/357531877.db2.gz GJWONJRMXLOBGI-UHFFFAOYSA-N 2 2 264.373 1.482 50 0 CDAALP C[C@H]1CNC(=O)CC[N@@H+]1C1CC[NH+](Cc2ccco2)CC1 ZINC000065419881 357540206 /nfs/dbraw/zinc/54/02/06/357540206.db2.gz CQJPTYJANHPWLY-ZDUSSCGKSA-N 2 2 291.395 1.454 50 0 CDAALP C[C@H]1CNC(=O)CC[N@H+]1C1CC[NH+](Cc2ccco2)CC1 ZINC000065419881 357540209 /nfs/dbraw/zinc/54/02/09/357540209.db2.gz CQJPTYJANHPWLY-ZDUSSCGKSA-N 2 2 291.395 1.454 50 0 CDAALP CC(C)n1c[nH+]cc1CN1CC[NH+](CCCCO)CC1 ZINC000097636638 358789344 /nfs/dbraw/zinc/78/93/44/358789344.db2.gz NOMLPVCLUZGNBB-UHFFFAOYSA-N 2 2 280.416 1.354 50 0 CDAALP Cn1c[nH+]cc1CSc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000426387797 360662398 /nfs/dbraw/zinc/66/23/98/360662398.db2.gz CZCOCPMYCLAFRZ-JTQLQIEISA-N 2 2 292.412 1.308 50 0 CDAALP C1=CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000245745822 360747891 /nfs/dbraw/zinc/74/78/91/360747891.db2.gz MSTSDPOUJXITSU-HOTGVXAUSA-N 2 2 264.413 1.997 50 0 CDAALP C1=CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000245745822 360747895 /nfs/dbraw/zinc/74/78/95/360747895.db2.gz MSTSDPOUJXITSU-HOTGVXAUSA-N 2 2 264.413 1.997 50 0 CDAALP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H](O)COC(C)(C)C)[C@H]2C1 ZINC000253417073 373726703 /nfs/dbraw/zinc/72/67/03/373726703.db2.gz LENXEFFBRGIKCU-MCIONIFRSA-N 2 2 270.417 1.188 50 0 CDAALP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H](O)COC(C)(C)C)[C@H]2C1 ZINC000253417073 373726709 /nfs/dbraw/zinc/72/67/09/373726709.db2.gz LENXEFFBRGIKCU-MCIONIFRSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]2C1 ZINC000253417073 373726713 /nfs/dbraw/zinc/72/67/13/373726713.db2.gz LENXEFFBRGIKCU-MCIONIFRSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@H]2C1 ZINC000253417073 373726719 /nfs/dbraw/zinc/72/67/19/373726719.db2.gz LENXEFFBRGIKCU-MCIONIFRSA-N 2 2 270.417 1.188 50 0 CDAALP c1ccc(NC[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)[nH+]c1 ZINC000225217987 373760408 /nfs/dbraw/zinc/76/04/08/373760408.db2.gz SABUSLIXTPSIGI-ZIAGYGMSSA-N 2 2 261.369 1.852 50 0 CDAALP c1ccc(NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)[nH+]c1 ZINC000225217987 373760413 /nfs/dbraw/zinc/76/04/13/373760413.db2.gz SABUSLIXTPSIGI-ZIAGYGMSSA-N 2 2 261.369 1.852 50 0 CDAALP CCCCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095972686 375045737 /nfs/dbraw/zinc/04/57/37/375045737.db2.gz WGZYRFHELRMAEX-CYBMUJFWSA-N 2 2 278.400 1.896 50 0 CDAALP CCCCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095972686 375045743 /nfs/dbraw/zinc/04/57/43/375045743.db2.gz WGZYRFHELRMAEX-CYBMUJFWSA-N 2 2 278.400 1.896 50 0 CDAALP CC(C)Cn1c[nH+]cc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072156523 390625391 /nfs/dbraw/zinc/62/53/91/390625391.db2.gz XQFGVEHKSRKDIX-INIZCTEOSA-N 2 2 294.443 1.428 50 0 CDAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000097619549 390917890 /nfs/dbraw/zinc/91/78/90/390917890.db2.gz ZFYQNPVVVRSVDY-CYBMUJFWSA-N 2 2 278.400 1.641 50 0 CDAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000097619549 390917891 /nfs/dbraw/zinc/91/78/91/390917891.db2.gz ZFYQNPVVVRSVDY-CYBMUJFWSA-N 2 2 278.400 1.641 50 0 CDAALP Fc1cccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000072147149 176325955 /nfs/dbraw/zinc/32/59/55/176325955.db2.gz CZXNNQRFPTYYRB-HNNXBMFYSA-N 2 2 277.387 1.553 50 0 CDAALP Fc1cccc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000072147149 176325957 /nfs/dbraw/zinc/32/59/57/176325957.db2.gz CZXNNQRFPTYYRB-HNNXBMFYSA-N 2 2 277.387 1.553 50 0 CDAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2cccnc2)C1 ZINC000077342534 177254869 /nfs/dbraw/zinc/25/48/69/177254869.db2.gz XOJZXUJVCLLTKU-MRXNPFEDSA-N 2 2 275.396 1.504 50 0 CDAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2cccnc2)C1 ZINC000077342534 177254872 /nfs/dbraw/zinc/25/48/72/177254872.db2.gz XOJZXUJVCLLTKU-MRXNPFEDSA-N 2 2 275.396 1.504 50 0 CDAALP [NH3+]C[C@@H]1C[N@H+](CCCCOCc2ccccc2)CCO1 ZINC000534673010 328348471 /nfs/dbraw/zinc/34/84/71/328348471.db2.gz IPVLXRMPHYABLL-MRXNPFEDSA-N 2 2 278.396 1.643 50 0 CDAALP [NH3+]C[C@@H]1C[N@@H+](CCCCOCc2ccccc2)CCO1 ZINC000534673010 328348473 /nfs/dbraw/zinc/34/84/73/328348473.db2.gz IPVLXRMPHYABLL-MRXNPFEDSA-N 2 2 278.396 1.643 50 0 CDAALP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[N@H+](C)C1CCCCC1 ZINC000534674668 328349799 /nfs/dbraw/zinc/34/97/99/328349799.db2.gz RZYCXLQAHZFLMC-LBPRGKRZSA-N 2 2 278.400 1.721 50 0 CDAALP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[N@@H+](C)C1CCCCC1 ZINC000534674668 328349801 /nfs/dbraw/zinc/34/98/01/328349801.db2.gz RZYCXLQAHZFLMC-LBPRGKRZSA-N 2 2 278.400 1.721 50 0 CDAALP Cc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)co1 ZINC000077521949 483510260 /nfs/dbraw/zinc/51/02/60/483510260.db2.gz SOLNVOUTERDZPL-UHFFFAOYSA-N 2 2 279.384 1.527 50 0 CDAALP C[NH2+]Cc1nnc(NC[C@@H]2Cc3ccccc3C[N@@H+]2C)o1 ZINC001772707012 1159441185 /nfs/dbraw/zinc/44/11/85/1159441185.db2.gz VUVPWIBSNIENNK-ZDUSSCGKSA-N 2 2 287.367 1.258 50 0 CDAALP C[NH2+]Cc1nnc(NC[C@@H]2Cc3ccccc3C[N@H+]2C)o1 ZINC001772707012 1159441186 /nfs/dbraw/zinc/44/11/86/1159441186.db2.gz VUVPWIBSNIENNK-ZDUSSCGKSA-N 2 2 287.367 1.258 50 0 CDAALP Cc1[nH+]ccn1[C@@H](C)C(=O)NCCCc1[nH]cc[nH+]1 ZINC000426490207 902594585 /nfs/dbraw/zinc/59/45/85/902594585.db2.gz KANPPRBYAFUBTP-JTQLQIEISA-N 2 2 261.329 1.225 50 0 CDAALP CCNC(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799671 927200002 /nfs/dbraw/zinc/20/00/02/927200002.db2.gz HLELRMASACFVBO-UHFFFAOYSA-N 2 2 296.459 1.452 50 0 CDAALP CCNC(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799671 927200009 /nfs/dbraw/zinc/20/00/09/927200009.db2.gz HLELRMASACFVBO-UHFFFAOYSA-N 2 2 296.459 1.452 50 0 CDAALP Cc1ncccc1C[N@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC001529191359 969010494 /nfs/dbraw/zinc/01/04/94/969010494.db2.gz XJAYMIQEUXRRMP-HNNXBMFYSA-N 2 2 277.412 1.526 50 0 CDAALP Cc1ncccc1C[N@@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC001529191359 969010501 /nfs/dbraw/zinc/01/05/01/969010501.db2.gz XJAYMIQEUXRRMP-HNNXBMFYSA-N 2 2 277.412 1.526 50 0 CDAALP Cc1ncccc1C[NH+](C)C[C@@H]1CCC[N@H+](CCO)C1 ZINC001529191359 969010511 /nfs/dbraw/zinc/01/05/11/969010511.db2.gz XJAYMIQEUXRRMP-HNNXBMFYSA-N 2 2 277.412 1.526 50 0 CDAALP Cc1ncccc1C[NH+](C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC001529191359 969010521 /nfs/dbraw/zinc/01/05/21/969010521.db2.gz XJAYMIQEUXRRMP-HNNXBMFYSA-N 2 2 277.412 1.526 50 0 CDAALP CN(CCc1ccccc1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244787557 361863700 /nfs/dbraw/zinc/86/37/00/361863700.db2.gz PZIMXJJFQPQVDF-OKILXGFUSA-N 2 2 297.406 1.942 50 0 CDAALP [NH3+]C1CC[NH+](C[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000601013368 345006570 /nfs/dbraw/zinc/00/65/70/345006570.db2.gz FYVPTKUQGAZWIY-UKRRQHHQSA-N 3 2 251.418 1.674 50 0 CDAALP [NH3+]C1CC[NH+](C[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000601013368 345006576 /nfs/dbraw/zinc/00/65/76/345006576.db2.gz FYVPTKUQGAZWIY-UKRRQHHQSA-N 3 2 251.418 1.674 50 0 CDAALP CC(C)[C@H](CNc1nc(N(C)C)cc[nH+]1)[NH+](C)C ZINC000584891545 349350462 /nfs/dbraw/zinc/35/04/62/349350462.db2.gz JRQOTVKYXRPGJJ-NSHDSACASA-N 2 2 251.378 1.541 50 0 CDAALP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCCC[NH2+]1 ZINC000583652116 366020091 /nfs/dbraw/zinc/02/00/91/366020091.db2.gz YXWSPNOUHGWRTJ-AAEUAGOBSA-N 2 2 272.352 1.595 50 0 CDAALP c1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000019889917 356514771 /nfs/dbraw/zinc/51/47/71/356514771.db2.gz YGGZEPRGJLVRSE-UHFFFAOYSA-N 2 2 260.381 1.983 50 0 CDAALP CC[C@H]1c2[nH+]ccn2CCCN1C(=O)Cn1cc[nH+]c1C ZINC000257197282 359630095 /nfs/dbraw/zinc/63/00/95/359630095.db2.gz ZUEORHZBCHRZHI-ZDUSSCGKSA-N 2 2 287.367 1.772 50 0 CDAALP Cc1nc(N(C)CCC[NH+](C)C)cc([C@H]2CCOC2)[nH+]1 ZINC000426574911 360684387 /nfs/dbraw/zinc/68/43/87/360684387.db2.gz LYSFRDFDOWJENZ-ZDUSSCGKSA-N 2 2 278.400 1.677 50 0 CDAALP Cc1c[nH]c(CN(C)C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)[nH+]1 ZINC000063834512 368704342 /nfs/dbraw/zinc/70/43/42/368704342.db2.gz BOEAQNAHCTVZMB-GDBMZVCRSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1c[nH]c(CN(C)C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)[nH+]1 ZINC000063834512 368704345 /nfs/dbraw/zinc/70/43/45/368704345.db2.gz BOEAQNAHCTVZMB-GDBMZVCRSA-N 2 2 292.427 1.529 50 0 CDAALP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(C)=O)C1=N ZINC000334157476 206121241 /nfs/dbraw/zinc/12/12/41/206121241.db2.gz SHNOXLZAICESCE-UHFFFAOYSA-N 2 2 288.395 1.853 50 0 CDAALP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(C)=O)C1=N ZINC000334157476 206121247 /nfs/dbraw/zinc/12/12/47/206121247.db2.gz SHNOXLZAICESCE-UHFFFAOYSA-N 2 2 288.395 1.853 50 0 CDAALP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945023 278355217 /nfs/dbraw/zinc/35/52/17/278355217.db2.gz YMQXQUKAMNASFG-CABCVRRESA-N 2 2 290.455 1.649 50 0 CDAALP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945023 278355220 /nfs/dbraw/zinc/35/52/20/278355220.db2.gz YMQXQUKAMNASFG-CABCVRRESA-N 2 2 290.455 1.649 50 0 CDAALP O=C(NCCn1cc[nH+]c1)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534593344 328318993 /nfs/dbraw/zinc/31/89/93/328318993.db2.gz VUHMLDHTEYQEBZ-UHFFFAOYSA-N 2 2 299.378 1.175 50 0 CDAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000534659650 328342317 /nfs/dbraw/zinc/34/23/17/328342317.db2.gz DEYUPVXLJWNRIV-CQSZACIVSA-N 2 2 299.418 1.603 50 0 CDAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000534659650 328342319 /nfs/dbraw/zinc/34/23/19/328342319.db2.gz DEYUPVXLJWNRIV-CQSZACIVSA-N 2 2 299.418 1.603 50 0 CDAALP CC(C)c1[nH+]ccn1C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000096484733 528372167 /nfs/dbraw/zinc/37/21/67/528372167.db2.gz OQPUCFZDIPNVQJ-MCIONIFRSA-N 2 2 281.400 1.477 50 0 CDAALP CC1CC[NH+](CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000268512612 535276445 /nfs/dbraw/zinc/27/64/45/535276445.db2.gz CVUUPAVEUUEZSX-UHFFFAOYSA-N 2 2 299.378 1.938 50 0 CDAALP O[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000952992106 818556619 /nfs/dbraw/zinc/55/66/19/818556619.db2.gz WZDKZDZCBZIOIT-LLVKDONJSA-N 2 2 272.776 1.869 50 0 CDAALP O[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000952992106 818556624 /nfs/dbraw/zinc/55/66/24/818556624.db2.gz WZDKZDZCBZIOIT-LLVKDONJSA-N 2 2 272.776 1.869 50 0 CDAALP [NH3+]CCc1ccc(C(=O)NCc2c[nH+]cn2C2CC2)cc1 ZINC000584900784 349362879 /nfs/dbraw/zinc/36/28/79/349362879.db2.gz QLHXPSQLCSZPDH-UHFFFAOYSA-N 2 2 284.363 1.649 50 0 CDAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1CO ZINC000091254673 180114952 /nfs/dbraw/zinc/11/49/52/180114952.db2.gz OGFAZNRGMDJBST-ZIAGYGMSSA-N 2 2 266.360 1.428 50 0 CDAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1CO ZINC000091254673 180114954 /nfs/dbraw/zinc/11/49/54/180114954.db2.gz OGFAZNRGMDJBST-ZIAGYGMSSA-N 2 2 266.360 1.428 50 0 CDAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C)CC1 ZINC000091769215 180249232 /nfs/dbraw/zinc/24/92/32/180249232.db2.gz ZLWFCZHLHIRLFZ-UHFFFAOYSA-N 2 2 274.372 1.352 50 0 CDAALP CC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000014269231 366144816 /nfs/dbraw/zinc/14/48/16/366144816.db2.gz CGHBTSPSECEDCF-UHFFFAOYSA-N 2 2 260.345 1.260 50 0 CDAALP CN(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019261057 356478905 /nfs/dbraw/zinc/47/89/05/356478905.db2.gz ASWFJYOHRDVDDE-UHFFFAOYSA-N 2 2 261.413 1.802 50 0 CDAALP Cc1cccc([C@@H](C(=O)NCCc2c[nH+]c[nH]2)[NH+](C)C)c1 ZINC000065396381 357537150 /nfs/dbraw/zinc/53/71/50/357537150.db2.gz ODKHOBUVGDPJBQ-HNNXBMFYSA-N 2 2 286.379 1.680 50 0 CDAALP Cc1cccc([C@@H](C(=O)NCCc2c[nH]c[nH+]2)[NH+](C)C)c1 ZINC000065396381 357537151 /nfs/dbraw/zinc/53/71/51/357537151.db2.gz ODKHOBUVGDPJBQ-HNNXBMFYSA-N 2 2 286.379 1.680 50 0 CDAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000067654568 357616853 /nfs/dbraw/zinc/61/68/53/357616853.db2.gz WPASLITXQFWLTB-NSHDSACASA-N 2 2 274.368 1.548 50 0 CDAALP Cc1[nH+]cnc(N2CCC[C@](O)(C[NH+](C)C)CC2)c1C ZINC000095373857 358688521 /nfs/dbraw/zinc/68/85/21/358688521.db2.gz UUDMWLCENGRHCC-OAHLLOKOSA-N 2 2 278.400 1.376 50 0 CDAALP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000215203138 358878945 /nfs/dbraw/zinc/87/89/45/358878945.db2.gz MINBJBDRVOTXDK-AWEZNQCLSA-N 2 2 264.417 1.891 50 0 CDAALP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000215203138 358878947 /nfs/dbraw/zinc/87/89/47/358878947.db2.gz MINBJBDRVOTXDK-AWEZNQCLSA-N 2 2 264.417 1.891 50 0 CDAALP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000215203138 358878948 /nfs/dbraw/zinc/87/89/48/358878948.db2.gz MINBJBDRVOTXDK-AWEZNQCLSA-N 2 2 264.417 1.891 50 0 CDAALP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000215203138 358878949 /nfs/dbraw/zinc/87/89/49/358878949.db2.gz MINBJBDRVOTXDK-AWEZNQCLSA-N 2 2 264.417 1.891 50 0 CDAALP CN(Cc1[nH]cc[nH+]1)CC(C)(C)C[NH+]1CCOCC1 ZINC000216083616 358923089 /nfs/dbraw/zinc/92/30/89/358923089.db2.gz DNQMDKPFYAKMKL-UHFFFAOYSA-N 2 2 266.389 1.200 50 0 CDAALP Cc1[nH]c2ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc2[nH+]1 ZINC000426510464 360678095 /nfs/dbraw/zinc/67/80/95/360678095.db2.gz VOOVOSMUXJWXMV-SECBINFHSA-N 2 2 260.341 1.438 50 0 CDAALP Cc1[nH]c2cc(CNC(=O)[C@@H](C)[NH+](C)C)ccc2[nH+]1 ZINC000426510464 360678098 /nfs/dbraw/zinc/67/80/98/360678098.db2.gz VOOVOSMUXJWXMV-SECBINFHSA-N 2 2 260.341 1.438 50 0 CDAALP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000423762875 246043738 /nfs/dbraw/zinc/04/37/38/246043738.db2.gz QLOJXCOQOSILBN-CQSZACIVSA-N 2 2 284.363 1.631 50 0 CDAALP COc1cc(C[NH+]2CCC([NH3+])CC2)cc(OC)c1OC ZINC000005002255 170053039 /nfs/dbraw/zinc/05/30/39/170053039.db2.gz FRZBIKUJFOMWQK-UHFFFAOYSA-N 2 2 280.368 1.636 50 0 CDAALP Cc1c[nH]c(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)[nH+]1 ZINC000077321641 278615955 /nfs/dbraw/zinc/61/59/55/278615955.db2.gz NSQJEPKZJOVUFU-ZDUSSCGKSA-N 2 2 279.384 1.578 50 0 CDAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)Cc1ccco1 ZINC001772705984 1159440762 /nfs/dbraw/zinc/44/07/62/1159440762.db2.gz FQDRKYMLSYRYTD-UHFFFAOYSA-N 2 2 262.357 1.875 50 0 CDAALP CCCn1cnnc1C[NH2+][C@@H](C)Cn1cc[nH+]c1CC ZINC000952873701 910427857 /nfs/dbraw/zinc/42/78/57/910427857.db2.gz NCAOFYXNZOTERI-LBPRGKRZSA-N 2 2 276.388 1.625 50 0 CDAALP CC[NH+]1CCC([NH2+]CCn2c[nH+]c(C)c2C)CC1 ZINC000823107053 925672661 /nfs/dbraw/zinc/67/26/61/925672661.db2.gz GXEPBXGZONAIMK-UHFFFAOYSA-N 3 2 250.390 1.574 50 0 CDAALP COCCC[N@@H+]1CC[C@H](CNc2cc[nH+]cc2F)C1 ZINC001529089677 968977874 /nfs/dbraw/zinc/97/78/74/968977874.db2.gz WLCHZXLFJLCZHW-GFCCVEGCSA-N 2 2 267.348 1.413 50 0 CDAALP COCCC[N@H+]1CC[C@H](CNc2cc[nH+]cc2F)C1 ZINC001529089677 968977880 /nfs/dbraw/zinc/97/78/80/968977880.db2.gz WLCHZXLFJLCZHW-GFCCVEGCSA-N 2 2 267.348 1.413 50 0 CDAALP O=c1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)occ1O ZINC000096482630 230380464 /nfs/dbraw/zinc/38/04/64/230380464.db2.gz GIBZWPLRNPWDDJ-LBPRGKRZSA-N 2 2 288.303 1.394 50 0 CDAALP O=c1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)occ1O ZINC000096482630 230380465 /nfs/dbraw/zinc/38/04/65/230380465.db2.gz GIBZWPLRNPWDDJ-LBPRGKRZSA-N 2 2 288.303 1.394 50 0 CDAALP Cn1cc[nH+]c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000013694382 365959943 /nfs/dbraw/zinc/95/99/43/365959943.db2.gz JCWZHWDLVWBTEP-UHFFFAOYSA-N 2 2 257.341 1.137 50 0 CDAALP [NH3+]C1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000114836766 350861990 /nfs/dbraw/zinc/86/19/90/350861990.db2.gz FYVPTKUQGAZWIY-ZFWWWQNUSA-N 3 2 251.418 1.674 50 0 CDAALP [NH3+]C1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000114836766 350861993 /nfs/dbraw/zinc/86/19/93/350861993.db2.gz FYVPTKUQGAZWIY-ZFWWWQNUSA-N 3 2 251.418 1.674 50 0 CDAALP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000216012 356734859 /nfs/dbraw/zinc/73/48/59/356734859.db2.gz MQMCZUJPOQBHNC-UHFFFAOYSA-N 2 2 276.380 1.999 50 0 CDAALP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000216012 356734863 /nfs/dbraw/zinc/73/48/63/356734863.db2.gz MQMCZUJPOQBHNC-UHFFFAOYSA-N 2 2 276.380 1.999 50 0 CDAALP CCn1c[nH+]cc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095388504 358692302 /nfs/dbraw/zinc/69/23/02/358692302.db2.gz ZUKJHAAQTLBBLI-ZDUSSCGKSA-N 2 2 278.400 1.784 50 0 CDAALP CCn1c[nH+]cc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095388504 358692304 /nfs/dbraw/zinc/69/23/04/358692304.db2.gz ZUKJHAAQTLBBLI-ZDUSSCGKSA-N 2 2 278.400 1.784 50 0 CDAALP Cc1[nH+]ccn1[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000426580711 360685383 /nfs/dbraw/zinc/68/53/83/360685383.db2.gz IVCICWBQVRNAMM-LLVKDONJSA-N 2 2 261.329 1.156 50 0 CDAALP Cc1nc(C(F)(F)F)ncc1C[NH+]1CCC([NH3+])CC1 ZINC000426582924 360685733 /nfs/dbraw/zinc/68/57/33/360685733.db2.gz XHHRGQUXTSANJO-UHFFFAOYSA-N 2 2 274.290 1.727 50 0 CDAALP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C1)C2 ZINC000089920316 366969550 /nfs/dbraw/zinc/96/95/50/366969550.db2.gz RMMRYJGOFAFSJB-IACUBPJLSA-N 2 2 276.380 1.681 50 0 CDAALP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1)C2 ZINC000089920316 366969552 /nfs/dbraw/zinc/96/95/52/366969552.db2.gz RMMRYJGOFAFSJB-IACUBPJLSA-N 2 2 276.380 1.681 50 0 CDAALP COc1cc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)ccc1F ZINC000020449506 171207497 /nfs/dbraw/zinc/20/74/97/171207497.db2.gz WTUQHZBZUUWPKF-CQSZACIVSA-N 2 2 296.386 1.987 50 0 CDAALP COc1cc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)ccc1F ZINC000020449506 171207499 /nfs/dbraw/zinc/20/74/99/171207499.db2.gz WTUQHZBZUUWPKF-CQSZACIVSA-N 2 2 296.386 1.987 50 0 CDAALP C[N@@H+]1CCc2ncnc(N3CCC(n4cc[nH+]c4)CC3)c2C1 ZINC000065474343 277189447 /nfs/dbraw/zinc/18/94/47/277189447.db2.gz WFSTUVMIHQTXSE-UHFFFAOYSA-N 2 2 298.394 1.503 50 0 CDAALP C[N@H+]1CCc2ncnc(N3CCC(n4cc[nH+]c4)CC3)c2C1 ZINC000065474343 277189448 /nfs/dbraw/zinc/18/94/48/277189448.db2.gz WFSTUVMIHQTXSE-UHFFFAOYSA-N 2 2 298.394 1.503 50 0 CDAALP CC(C)(C)OC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C[NH3+] ZINC000238853196 277195902 /nfs/dbraw/zinc/19/59/02/277195902.db2.gz IPIMDODCXFTYQT-NEPJUHHUSA-N 2 2 269.389 1.419 50 0 CDAALP CC(C)(C)OC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C[NH3+] ZINC000238853196 277195903 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ZINC000107014595 279197622 /nfs/dbraw/zinc/19/76/22/279197622.db2.gz WRVXAEMEHRWOKH-ZIAGYGMSSA-N 2 2 290.411 1.736 50 0 CDAALP C[C@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000107014595 279197624 /nfs/dbraw/zinc/19/76/24/279197624.db2.gz WRVXAEMEHRWOKH-ZIAGYGMSSA-N 2 2 290.411 1.736 50 0 CDAALP C[C@@H](N=c1[nH+]c(N(C)C)[nH]s1)C1CC[NH+](C)CC1 ZINC000534591703 328318373 /nfs/dbraw/zinc/31/83/73/328318373.db2.gz WICDVJIRJAWVMO-SECBINFHSA-N 2 2 269.418 1.168 50 0 CDAALP Cc1ccc(CC2([NH2+][C@H](C)C[N@H+](C)CCO)CC2)cc1 ZINC000534659610 328342232 /nfs/dbraw/zinc/34/22/32/328342232.db2.gz QIPPXIDOQKFTKS-OAHLLOKOSA-N 2 2 276.424 1.972 50 0 CDAALP Cc1ccc(CC2([NH2+][C@H](C)C[N@@H+](C)CCO)CC2)cc1 ZINC000534659610 328342233 /nfs/dbraw/zinc/34/22/33/328342233.db2.gz QIPPXIDOQKFTKS-OAHLLOKOSA-N 2 2 276.424 1.972 50 0 CDAALP CC(C)C(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011704925 329289473 /nfs/dbraw/zinc/28/94/73/329289473.db2.gz JHCDNRYHGMNMLE-ZDUSSCGKSA-N 2 2 267.417 1.317 50 0 CDAALP CC(C)C(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011704925 329289474 /nfs/dbraw/zinc/28/94/74/329289474.db2.gz JHCDNRYHGMNMLE-ZDUSSCGKSA-N 2 2 267.417 1.317 50 0 CDAALP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCN1Cc1[nH+]ccn1C ZINC000248131541 482498952 /nfs/dbraw/zinc/49/89/52/482498952.db2.gz NIAXHGPKRGJJAJ-HUUCEWRRSA-N 2 2 292.427 1.495 50 0 CDAALP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCN1Cc1[nH+]ccn1C ZINC000248131541 482498953 /nfs/dbraw/zinc/49/89/53/482498953.db2.gz NIAXHGPKRGJJAJ-HUUCEWRRSA-N 2 2 292.427 1.495 50 0 CDAALP CC[C@@H](NC(=O)Cn1cc[nH+]c1C)c1[nH]cc(C)[nH+]1 ZINC000670437960 482979762 /nfs/dbraw/zinc/97/97/62/482979762.db2.gz PQBDLFVIGVHBNK-LLVKDONJSA-N 2 2 261.329 1.491 50 0 CDAALP C[C@@H](C(=O)N1CCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000083888644 483217469 /nfs/dbraw/zinc/21/74/69/483217469.db2.gz PVMAIUVXOSIZLQ-LSDHHAIUSA-N 2 2 279.428 1.415 50 0 CDAALP C[C@@H](C(=O)N1CCCC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000083888644 483217476 /nfs/dbraw/zinc/21/74/76/483217476.db2.gz PVMAIUVXOSIZLQ-LSDHHAIUSA-N 2 2 279.428 1.415 50 0 CDAALP CC(C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cncnc2)C1 ZINC000952972979 614103508 /nfs/dbraw/zinc/10/35/08/614103508.db2.gz QWBBMUNAEJBJOW-AWEZNQCLSA-N 2 2 262.401 1.886 50 0 CDAALP CC(C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cncnc2)C1 ZINC000952972979 614103509 /nfs/dbraw/zinc/10/35/09/614103509.db2.gz QWBBMUNAEJBJOW-AWEZNQCLSA-N 2 2 262.401 1.886 50 0 CDAALP CC(C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cncnc2)C1 ZINC000952972979 614103511 /nfs/dbraw/zinc/10/35/11/614103511.db2.gz QWBBMUNAEJBJOW-AWEZNQCLSA-N 2 2 262.401 1.886 50 0 CDAALP CC(C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cncnc2)C1 ZINC000952972979 614103512 /nfs/dbraw/zinc/10/35/12/614103512.db2.gz QWBBMUNAEJBJOW-AWEZNQCLSA-N 2 2 262.401 1.886 50 0 CDAALP Cc1cnc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690293 925722081 /nfs/dbraw/zinc/72/20/81/925722081.db2.gz UJUANCQCHAFVCK-ZDUSSCGKSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cnc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690293 925722084 /nfs/dbraw/zinc/72/20/84/925722084.db2.gz UJUANCQCHAFVCK-ZDUSSCGKSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cnc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)cn1 ZINC000823690293 925722088 /nfs/dbraw/zinc/72/20/88/925722088.db2.gz UJUANCQCHAFVCK-ZDUSSCGKSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cnc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)cn1 ZINC000823690293 925722092 /nfs/dbraw/zinc/72/20/92/925722092.db2.gz UJUANCQCHAFVCK-ZDUSSCGKSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cc(C)n(C[C@H](C)[NH2+]CCCn2cc[nH+]c2)n1 ZINC001506416664 975156219 /nfs/dbraw/zinc/15/62/19/975156219.db2.gz KLMBRDKOHTWFQS-ZDUSSCGKSA-N 2 2 261.373 1.765 50 0 CDAALP CC(C)[C@@H](CNc1nc(N(C)C)cc[nH+]1)[NH+](C)C ZINC000584891544 349350341 /nfs/dbraw/zinc/35/03/41/349350341.db2.gz JRQOTVKYXRPGJJ-LLVKDONJSA-N 2 2 251.378 1.541 50 0 CDAALP COCC[N@@H+]1CC[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000091526568 180179153 /nfs/dbraw/zinc/17/91/53/180179153.db2.gz FNQGJCIOAKTPOQ-CYBMUJFWSA-N 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CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246822320 392019428 /nfs/dbraw/zinc/01/94/28/392019428.db2.gz NUAGYNOMYKZNEN-KCQAQPDRSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246822320 392019432 /nfs/dbraw/zinc/01/94/32/392019432.db2.gz NUAGYNOMYKZNEN-KCQAQPDRSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246822320 392019434 /nfs/dbraw/zinc/01/94/34/392019434.db2.gz NUAGYNOMYKZNEN-KCQAQPDRSA-N 2 2 280.412 1.887 50 0 CDAALP C[C@@H](CCC(=O)N1CCCn2c[nH+]cc2C1)[NH+]1CCCC1 ZINC000072134712 176322225 /nfs/dbraw/zinc/32/22/25/176322225.db2.gz DFAQCQIUAYXZEQ-AWEZNQCLSA-N 2 2 290.411 1.880 50 0 CDAALP C(C[NH+]1CCOC[C@H]1C1CC1)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245792976 275392429 /nfs/dbraw/zinc/39/24/29/275392429.db2.gz OBQUJAPAAQFGOA-IRXDYDNUSA-N 2 2 294.439 1.598 50 0 CDAALP C(C[NH+]1CCOC[C@H]1C1CC1)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245792976 275392430 /nfs/dbraw/zinc/39/24/30/275392430.db2.gz OBQUJAPAAQFGOA-IRXDYDNUSA-N 2 2 294.439 1.598 50 0 CDAALP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000262758807 278317070 /nfs/dbraw/zinc/31/70/70/278317070.db2.gz PVXXYQHDFPBGBJ-DGCLKSJQSA-N 2 2 272.352 1.676 50 0 CDAALP Cc1nnc2n1CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000095969046 279237609 /nfs/dbraw/zinc/23/76/09/279237609.db2.gz MNROROXRKKNCSH-OAHLLOKOSA-N 2 2 289.427 1.885 50 0 CDAALP Cc1[nH+]ccn1CCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000534656784 328340507 /nfs/dbraw/zinc/34/05/07/328340507.db2.gz JBJJVUABMBDZSX-AWEZNQCLSA-N 2 2 287.367 1.583 50 0 CDAALP C[C@H]1C[N@H+](C[C@H]2CCCCO2)CCN1Cc1[nH+]ccn1C ZINC000248131544 482498962 /nfs/dbraw/zinc/49/89/62/482498962.db2.gz NIAXHGPKRGJJAJ-LSDHHAIUSA-N 2 2 292.427 1.495 50 0 CDAALP C[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCN1Cc1[nH+]ccn1C ZINC000248131544 482498963 /nfs/dbraw/zinc/49/89/63/482498963.db2.gz NIAXHGPKRGJJAJ-LSDHHAIUSA-N 2 2 292.427 1.495 50 0 CDAALP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000097094882 567904251 /nfs/dbraw/zinc/90/42/51/567904251.db2.gz RGQIXNORXCMUOF-HLPPOEQASA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000097094882 567904252 /nfs/dbraw/zinc/90/42/52/567904252.db2.gz RGQIXNORXCMUOF-HLPPOEQASA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000097094882 567904254 /nfs/dbraw/zinc/90/42/54/567904254.db2.gz RGQIXNORXCMUOF-HLPPOEQASA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000097094882 567904255 /nfs/dbraw/zinc/90/42/55/567904255.db2.gz RGQIXNORXCMUOF-HLPPOEQASA-N 2 2 272.396 1.954 50 0 CDAALP Cc1ccc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)[nH+]c1 ZINC000200514407 929253815 /nfs/dbraw/zinc/25/38/15/929253815.db2.gz FUVKTZLGOASCRJ-HNNXBMFYSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1ccc(N2CCC([N@H+]3CCC[C@H](O)C3)CC2)[nH+]c1 ZINC000200514407 929253824 /nfs/dbraw/zinc/25/38/24/929253824.db2.gz FUVKTZLGOASCRJ-HNNXBMFYSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1c[nH+]c(N2CCC([NH+](C)C)CC2)nc1N(C)C ZINC001506396233 975148286 /nfs/dbraw/zinc/14/82/86/975148286.db2.gz QLERBDYBCWFABD-UHFFFAOYSA-N 2 2 263.389 1.381 50 0 CDAALP Cc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)nc[nH+]1 ZINC000685945047 539046137 /nfs/dbraw/zinc/04/61/37/539046137.db2.gz QKNASVCWSGQZFC-AWEZNQCLSA-N 2 2 254.337 1.936 50 0 CDAALP CC(C)n1cnnc1CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000584896297 349357677 /nfs/dbraw/zinc/35/76/77/349357677.db2.gz NOTYGBYORXJJII-LBPRGKRZSA-N 2 2 262.361 1.276 50 0 CDAALP Cc1nc(NCCC[N@@H+]2CCC[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000091782396 180254119 /nfs/dbraw/zinc/25/41/19/180254119.db2.gz MGDBDEZDMWGGEJ-OAHLLOKOSA-N 2 2 292.427 1.908 50 0 CDAALP Cc1nc(NCCC[N@H+]2CCC[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000091782396 180254121 /nfs/dbraw/zinc/25/41/21/180254121.db2.gz MGDBDEZDMWGGEJ-OAHLLOKOSA-N 2 2 292.427 1.908 50 0 CDAALP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H]1C ZINC000093193983 351321213 /nfs/dbraw/zinc/32/12/13/351321213.db2.gz MFJCFWOMZNGVGY-KGLIPLIRSA-N 2 2 267.417 1.127 50 0 CDAALP CC(=O)N1CCC([N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)CC1 ZINC000065501365 357545401 /nfs/dbraw/zinc/54/54/01/357545401.db2.gz CCXSCWZALNOZHB-HNNXBMFYSA-N 2 2 290.411 1.606 50 0 CDAALP CC(=O)N1CCC([N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)CC1 ZINC000065501365 357545406 /nfs/dbraw/zinc/54/54/06/357545406.db2.gz CCXSCWZALNOZHB-HNNXBMFYSA-N 2 2 290.411 1.606 50 0 CDAALP C[C@H](C1CC[NH+](Cc2ncc[nH]2)CC1)[NH+]1CCOCC1 ZINC000072474382 357838183 /nfs/dbraw/zinc/83/81/83/357838183.db2.gz SXXZNGRNXDTNAN-CYBMUJFWSA-N 2 2 278.400 1.342 50 0 CDAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000184734370 358767090 /nfs/dbraw/zinc/76/70/90/358767090.db2.gz NVWQDFMTJAMVHM-LLVKDONJSA-N 2 2 277.397 1.726 50 0 CDAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000184734370 358767092 /nfs/dbraw/zinc/76/70/92/358767092.db2.gz NVWQDFMTJAMVHM-LLVKDONJSA-N 2 2 277.397 1.726 50 0 CDAALP CCc1nn(C)c(Cl)c1C[N@H+](C)CCn1cc[nH+]c1 ZINC000215670452 358898591 /nfs/dbraw/zinc/89/85/91/358898591.db2.gz UTDHPPDKLYOYNX-UHFFFAOYSA-N 2 2 281.791 1.964 50 0 CDAALP CCc1nn(C)c(Cl)c1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000215670452 358898594 /nfs/dbraw/zinc/89/85/94/358898594.db2.gz UTDHPPDKLYOYNX-UHFFFAOYSA-N 2 2 281.791 1.964 50 0 CDAALP Cc1[nH+]c(CNC(=O)C[C@@H]2CCCC[N@@H+]2C)n(C)c1C ZINC000426726747 360699603 /nfs/dbraw/zinc/69/96/03/360699603.db2.gz JOCCITCORKYRDC-ZDUSSCGKSA-N 2 2 278.400 1.528 50 0 CDAALP Cc1[nH+]c(CNC(=O)C[C@@H]2CCCC[N@H+]2C)n(C)c1C ZINC000426726747 360699607 /nfs/dbraw/zinc/69/96/07/360699607.db2.gz JOCCITCORKYRDC-ZDUSSCGKSA-N 2 2 278.400 1.528 50 0 CDAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1C)CCC2 ZINC000089702109 366914615 /nfs/dbraw/zinc/91/46/15/366914615.db2.gz FEBBGUYBAJVAFQ-GFCCVEGCSA-N 2 2 259.357 1.890 50 0 CDAALP C[C@@H](C[NH3+])Oc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000299787043 372761519 /nfs/dbraw/zinc/76/15/19/372761519.db2.gz OURHKPZSIYJBBQ-AWEZNQCLSA-N 3 2 291.439 1.939 50 0 CDAALP C[C@@H](C[NH3+])Oc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000299787043 372761531 /nfs/dbraw/zinc/76/15/31/372761531.db2.gz OURHKPZSIYJBBQ-AWEZNQCLSA-N 3 2 291.439 1.939 50 0 CDAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCCC1 ZINC000067457714 377087138 /nfs/dbraw/zinc/08/71/38/377087138.db2.gz QUDMRSUXXWJICY-KGLIPLIRSA-N 2 2 267.417 1.447 50 0 CDAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCCC1 ZINC000067457714 377087142 /nfs/dbraw/zinc/08/71/42/377087142.db2.gz QUDMRSUXXWJICY-KGLIPLIRSA-N 2 2 267.417 1.447 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000242284651 285029228 /nfs/dbraw/zinc/02/92/28/285029228.db2.gz YIOJOBYLYDHOJH-KLHDSHLOSA-N 2 2 296.455 1.890 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000242284651 285029231 /nfs/dbraw/zinc/02/92/31/285029231.db2.gz YIOJOBYLYDHOJH-KLHDSHLOSA-N 2 2 296.455 1.890 50 0 CDAALP O=c1cc(C[NH2+][C@H]2CCC[NH2+]C2)[nH]c2c(F)cccc12 ZINC000095382983 184961021 /nfs/dbraw/zinc/96/10/21/184961021.db2.gz PKSONTYVEYJVPS-JTQLQIEISA-N 2 2 275.327 1.509 50 0 CDAALP C[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H]1C[NH3+] ZINC000179223520 390945832 /nfs/dbraw/zinc/94/58/32/390945832.db2.gz MXNUFPGUPSUPEG-AAEUAGOBSA-N 2 2 272.352 1.534 50 0 CDAALP COc1cc2[nH+]c(C)nc(NCC[NH3+])c2cc1OC ZINC000035287640 172105796 /nfs/dbraw/zinc/10/57/96/172105796.db2.gz ZYIKNFATWRSUMX-UHFFFAOYSA-N 2 2 262.313 1.326 50 0 CDAALP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000037211943 173033541 /nfs/dbraw/zinc/03/35/41/173033541.db2.gz ACPYESGWVLTYMB-UHFFFAOYSA-N 2 2 293.386 1.468 50 0 CDAALP COCC[NH+]1CCC(c2[nH+]ccn2[C@H](C)CO)CC1 ZINC000071497725 176191989 /nfs/dbraw/zinc/19/19/89/176191989.db2.gz IOTKGXPRGVGMLR-GFCCVEGCSA-N 2 2 267.373 1.262 50 0 CDAALP Cc1c[nH+]ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000097743087 279027684 /nfs/dbraw/zinc/02/76/84/279027684.db2.gz DQKKHYHOGNYOFQ-UHFFFAOYSA-N 2 2 257.341 1.435 50 0 CDAALP C[C@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000254956025 289346733 /nfs/dbraw/zinc/34/67/33/289346733.db2.gz ZMZFMPKMHBFPGQ-ZBKLQPJUSA-N 2 2 296.374 1.706 50 0 CDAALP Clc1cnn(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000252510279 328105947 /nfs/dbraw/zinc/10/59/47/328105947.db2.gz ZGBBNGVPJCGPPT-UHFFFAOYSA-N 2 2 251.721 1.318 50 0 CDAALP Clc1cnn(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000252510279 328105949 /nfs/dbraw/zinc/10/59/49/328105949.db2.gz ZGBBNGVPJCGPPT-UHFFFAOYSA-N 2 2 251.721 1.318 50 0 CDAALP Cc1cc(C)n(C[C@H](C)[NH2+]CC[NH+]2CCC(CO)CC2)n1 ZINC000534656851 328340731 /nfs/dbraw/zinc/34/07/31/328340731.db2.gz IDIHESPLDHINHH-AWEZNQCLSA-N 2 2 294.443 1.182 50 0 CDAALP OC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000585091224 482825628 /nfs/dbraw/zinc/82/56/28/482825628.db2.gz NUZLOAZZZJXJEW-CABCVRRESA-N 2 2 296.436 1.624 50 0 CDAALP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2c(C)nn(CCO)c2C)C1 ZINC000670446520 482998177 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CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000096492538 529115625 /nfs/dbraw/zinc/11/56/25/529115625.db2.gz QFKGQIZVHVTDNJ-UHFFFAOYSA-N 2 2 290.333 1.842 50 0 CDAALP CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000096492538 529115631 /nfs/dbraw/zinc/11/56/31/529115631.db2.gz QFKGQIZVHVTDNJ-UHFFFAOYSA-N 2 2 290.333 1.842 50 0 CDAALP COCCC1CC[NH+](CCc2[nH+]ccn2C)CC1 ZINC001529172504 969002633 /nfs/dbraw/zinc/00/26/33/969002633.db2.gz NELVILGSLAPMMW-UHFFFAOYSA-N 2 2 251.374 1.711 50 0 CDAALP CCCn1cc[nH+]c1CNC(=O)c1ccc(CC[NH3+])cc1 ZINC000395417521 342089936 /nfs/dbraw/zinc/08/99/36/342089936.db2.gz XWSPMEDMHJSDCZ-UHFFFAOYSA-N 2 2 286.379 1.724 50 0 CDAALP COCCn1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cn1 ZINC000083912248 357110846 /nfs/dbraw/zinc/11/08/46/357110846.db2.gz AJTZSZKCEUGLNT-AWEZNQCLSA-N 2 2 289.383 1.393 50 0 CDAALP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CC1 ZINC000097200667 358188784 /nfs/dbraw/zinc/18/87/84/358188784.db2.gz UYJIWDYWROWDJL-ZDUSSCGKSA-N 2 2 288.395 1.484 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Cc1ccc[nH+]c1N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC001506430149 975162200 /nfs/dbraw/zinc/16/22/00/975162200.db2.gz WYFOKIXMLHYFGM-UHFFFAOYSA-N 2 2 275.396 1.817 50 0 CDAALP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)NCc1cccs1 ZINC000243932111 361830459 /nfs/dbraw/zinc/83/04/59/361830459.db2.gz BSYXRZXMZIXHGF-UHFFFAOYSA-N 2 2 290.392 1.536 50 0 CDAALP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)NCc1cccs1 ZINC000243932111 361830463 /nfs/dbraw/zinc/83/04/63/361830463.db2.gz BSYXRZXMZIXHGF-UHFFFAOYSA-N 2 2 290.392 1.536 50 0 CDAALP Nc1nc(NCCOc2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244858586 361866349 /nfs/dbraw/zinc/86/63/49/361866349.db2.gz VNYQVJQWZFPXLO-TXEJJXNPSA-N 2 2 299.378 1.754 50 0 CDAALP CSCc1noc(C[N@H+](C)CCn2cc[nH+]c2C)n1 ZINC000244707965 361858632 /nfs/dbraw/zinc/85/86/32/361858632.db2.gz KKWFQUWARLYISV-UHFFFAOYSA-N 2 2 281.385 1.570 50 0 CDAALP CSCc1noc(C[N@@H+](C)CCn2cc[nH+]c2C)n1 ZINC000244707965 361858636 /nfs/dbraw/zinc/85/86/36/361858636.db2.gz KKWFQUWARLYISV-UHFFFAOYSA-N 2 2 281.385 1.570 50 0 CDAALP C[N@H+](CC(=O)NCC1CCCCC1)C1CC[NH+](C)CC1 ZINC000002632822 529833384 /nfs/dbraw/zinc/83/33/84/529833384.db2.gz APNMNZMLUQGLEZ-UHFFFAOYSA-N 2 2 281.444 1.709 50 0 CDAALP C[N@@H+](CC(=O)NCC1CCCCC1)C1CC[NH+](C)CC1 ZINC000002632822 529833385 /nfs/dbraw/zinc/83/33/85/529833385.db2.gz APNMNZMLUQGLEZ-UHFFFAOYSA-N 2 2 281.444 1.709 50 0 CDAALP c1[nH]c2c([nH+]1)CC[N@@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000097360181 358770630 /nfs/dbraw/zinc/77/06/30/358770630.db2.gz HLLCBPLRXZUPSR-UHFFFAOYSA-N 2 2 284.367 1.358 50 0 CDAALP c1[nH]c2c([nH+]1)CC[N@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000097360181 358770635 /nfs/dbraw/zinc/77/06/35/358770635.db2.gz HLLCBPLRXZUPSR-UHFFFAOYSA-N 2 2 284.367 1.358 50 0 CDAALP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[NH2+]C[C@@H](O)C2)cc1 ZINC000097744679 358795513 /nfs/dbraw/zinc/79/55/13/358795513.db2.gz GQPCRQHBUISWGN-OAHLLOKOSA-N 2 2 286.379 1.151 50 0 CDAALP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[NH2+]C[C@@H](O)C2)cc1 ZINC000097744679 358795518 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COC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089401071 277334281 /nfs/dbraw/zinc/33/42/81/277334281.db2.gz DWHZMQTVBGTBTC-NEPJUHHUSA-N 2 2 267.373 1.044 50 0 CDAALP COC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000089401071 277334282 /nfs/dbraw/zinc/33/42/82/277334282.db2.gz DWHZMQTVBGTBTC-NEPJUHHUSA-N 2 2 267.373 1.044 50 0 CDAALP CCn1nc(C)c(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1C ZINC000082127167 482763436 /nfs/dbraw/zinc/76/34/36/482763436.db2.gz GGCCUFYMBOCTQE-CYBMUJFWSA-N 2 2 250.390 1.833 50 0 CDAALP CCn1nc(C)c(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1C ZINC000082127167 482763439 /nfs/dbraw/zinc/76/34/39/482763439.db2.gz GGCCUFYMBOCTQE-CYBMUJFWSA-N 2 2 250.390 1.833 50 0 CDAALP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000095506265 185000875 /nfs/dbraw/zinc/00/08/75/185000875.db2.gz NRZUBFWVCDFYMD-GFCCVEGCSA-N 2 2 264.373 1.489 50 0 CDAALP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019672431 356495138 /nfs/dbraw/zinc/49/51/38/356495138.db2.gz POCCCHSFEVQZBQ-UHFFFAOYSA-N 2 2 261.369 1.068 50 0 CDAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000107524698 357333427 /nfs/dbraw/zinc/33/34/27/357333427.db2.gz WVFMHTWNODRJPM-GDBMZVCRSA-N 2 2 284.444 1.748 50 0 CDAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000107524698 357333431 /nfs/dbraw/zinc/33/34/31/357333431.db2.gz WVFMHTWNODRJPM-GDBMZVCRSA-N 2 2 284.444 1.748 50 0 CDAALP Cc1[nH+]c2ccccc2n1Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000063857709 357517803 /nfs/dbraw/zinc/51/78/03/357517803.db2.gz PTMYXQJLZMSYKU-UHFFFAOYSA-N 2 2 296.378 1.909 50 0 CDAALP CC(C)[C@@H](Nc1ncnc2c1CC[NH2+]C2)c1[nH+]ccn1C ZINC000067841661 357631166 /nfs/dbraw/zinc/63/11/66/357631166.db2.gz UDIDDDNTFLXOSG-CYBMUJFWSA-N 2 2 286.383 1.665 50 0 CDAALP CCc1c[nH+]c(N)nc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000095372351 358688651 /nfs/dbraw/zinc/68/86/51/358688651.db2.gz KCAGJVJPHMDVLV-GFCCVEGCSA-N 2 2 261.373 1.296 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095391563 358691791 /nfs/dbraw/zinc/69/17/91/358691791.db2.gz NCJXBJXWCFRDNR-HNNXBMFYSA-N 2 2 298.390 1.849 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095391563 358691794 /nfs/dbraw/zinc/69/17/94/358691794.db2.gz NCJXBJXWCFRDNR-HNNXBMFYSA-N 2 2 298.390 1.849 50 0 CDAALP Cn1c[nH+]cc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000215922397 358909401 /nfs/dbraw/zinc/90/94/01/358909401.db2.gz CWWJRBCEGICUHS-CQSZACIVSA-N 2 2 262.401 1.870 50 0 CDAALP CCn1ncnc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000638421079 369946206 /nfs/dbraw/zinc/94/62/06/369946206.db2.gz PLHJHHNOOXZHDS-UHFFFAOYSA-N 2 2 282.351 1.774 50 0 CDAALP CC(C)SCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000375876484 371012775 /nfs/dbraw/zinc/01/27/75/371012775.db2.gz QLYBNKLNYBDHDW-CQSZACIVSA-N 2 2 299.484 1.366 50 0 CDAALP Cn1cncc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000112341084 374221129 /nfs/dbraw/zinc/22/11/29/374221129.db2.gz LKFANSFINXBDCK-UHFFFAOYSA-N 2 2 271.368 1.574 50 0 CDAALP CCC[C@H](Nc1cc(CC[NH3+])ncn1)c1[nH+]ccn1C ZINC000039500805 174169183 /nfs/dbraw/zinc/16/91/83/174169183.db2.gz HICVKMYLKFTCTO-LBPRGKRZSA-N 2 2 274.372 1.665 50 0 CDAALP CCC(CC)c1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000071419284 176160551 /nfs/dbraw/zinc/16/05/51/176160551.db2.gz BYFVOVQKTAOTLX-AWEZNQCLSA-N 2 2 292.427 1.984 50 0 CDAALP CCC(CC)c1[nH+]ccn1CC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000071419284 176160552 /nfs/dbraw/zinc/16/05/52/176160552.db2.gz BYFVOVQKTAOTLX-AWEZNQCLSA-N 2 2 292.427 1.984 50 0 CDAALP C[C@H](CCC(=O)N1CCn2c[nH+]cc2C1)[NH+]1CCCC1 ZINC000072161683 176330087 /nfs/dbraw/zinc/33/00/87/176330087.db2.gz GGSAGRUTVDYOOR-CYBMUJFWSA-N 2 2 276.384 1.490 50 0 CDAALP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(F)cc1F ZINC000000203659 275875822 /nfs/dbraw/zinc/87/58/22/275875822.db2.gz UDRBBDNKWHCUFR-UHFFFAOYSA-N 2 2 253.256 1.150 50 0 CDAALP CCn1cc[nH+]c1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091663199 281644947 /nfs/dbraw/zinc/64/49/47/281644947.db2.gz WUSTVAOLENGDNH-HUUCEWRRSA-N 2 2 292.427 1.039 50 0 CDAALP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCOc2ccc(CO)cc2C1 ZINC000243893810 328041877 /nfs/dbraw/zinc/04/18/77/328041877.db2.gz AUMPIWDQDXZYHY-MRXNPFEDSA-N 2 2 290.407 1.858 50 0 CDAALP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOc2ccc(CO)cc2C1 ZINC000243893810 328041879 /nfs/dbraw/zinc/04/18/79/328041879.db2.gz AUMPIWDQDXZYHY-MRXNPFEDSA-N 2 2 290.407 1.858 50 0 CDAALP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000243893810 328041881 /nfs/dbraw/zinc/04/18/81/328041881.db2.gz AUMPIWDQDXZYHY-MRXNPFEDSA-N 2 2 290.407 1.858 50 0 CDAALP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOc2ccc(CO)cc2C1 ZINC000243893810 328041883 /nfs/dbraw/zinc/04/18/83/328041883.db2.gz AUMPIWDQDXZYHY-MRXNPFEDSA-N 2 2 290.407 1.858 50 0 CDAALP C[C@@H](CN1CC[NH+](C)CC1)[NH+]1CC(Oc2ccccc2)C1 ZINC000670448375 483004469 /nfs/dbraw/zinc/00/44/69/483004469.db2.gz RAPFKKYXEZUKLD-HNNXBMFYSA-N 2 2 289.423 1.386 50 0 CDAALP CC1(C)CC([NH2+][C@H]2C[NH2+]CC[C@H]2O)CC(C)(C)C1 ZINC000426668522 677763680 /nfs/dbraw/zinc/76/36/80/677763680.db2.gz 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CC(C)=CC[N@H+]1CCN(Cc2c[nH+]c(C)[nH]2)C[C@@H]1CCO ZINC000019227836 356477875 /nfs/dbraw/zinc/47/78/75/356477875.db2.gz FKHXLCLVMVTHCZ-INIZCTEOSA-N 2 2 292.427 1.553 50 0 CDAALP CC(C)=CC[N@@H+]1CCN(Cc2c[nH]c(C)[nH+]2)C[C@@H]1CCO ZINC000019227836 356477877 /nfs/dbraw/zinc/47/78/77/356477877.db2.gz FKHXLCLVMVTHCZ-INIZCTEOSA-N 2 2 292.427 1.553 50 0 CDAALP CC(C)=CC[N@H+]1CCN(Cc2c[nH]c(C)[nH+]2)C[C@@H]1CCO ZINC000019227836 356477880 /nfs/dbraw/zinc/47/78/80/356477880.db2.gz FKHXLCLVMVTHCZ-INIZCTEOSA-N 2 2 292.427 1.553 50 0 CDAALP C[C@H]1CCCC[N@@H+]1CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000065530276 357547917 /nfs/dbraw/zinc/54/79/17/357547917.db2.gz DDIFJBQSJQNAAA-ZDUSSCGKSA-N 2 2 277.416 1.853 50 0 CDAALP C[C@H]1CCCC[N@H+]1CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000065530276 357547924 /nfs/dbraw/zinc/54/79/24/357547924.db2.gz DDIFJBQSJQNAAA-ZDUSSCGKSA-N 2 2 277.416 1.853 50 0 CDAALP O=C1OCC[C@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200605 358188434 /nfs/dbraw/zinc/18/84/34/358188434.db2.gz FDMBSGRNRXRPPA-NWDGAFQWSA-N 2 2 261.325 1.131 50 0 CDAALP O=C1OCC[C@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200605 358188436 /nfs/dbraw/zinc/18/84/36/358188436.db2.gz FDMBSGRNRXRPPA-NWDGAFQWSA-N 2 2 261.325 1.131 50 0 CDAALP C1C[C@H]2C[N@@H+](C3CSCCSC3)C[C@@H]1C[NH2+]2 ZINC000426582724 360685339 /nfs/dbraw/zinc/68/53/39/360685339.db2.gz BVWXXPNLMJHXSB-QWRGUYRKSA-N 2 2 258.456 1.519 50 0 CDAALP C1C[C@H]2C[N@H+](C3CSCCSC3)C[C@@H]1C[NH2+]2 ZINC000426582724 360685343 /nfs/dbraw/zinc/68/53/43/360685343.db2.gz BVWXXPNLMJHXSB-QWRGUYRKSA-N 2 2 258.456 1.519 50 0 CDAALP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000241316734 376018422 /nfs/dbraw/zinc/01/84/22/376018422.db2.gz LULCOYMQYGPPGL-ZQDZILKHSA-N 2 2 279.428 1.317 50 0 CDAALP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000241316734 376018426 /nfs/dbraw/zinc/01/84/26/376018426.db2.gz LULCOYMQYGPPGL-ZQDZILKHSA-N 2 2 279.428 1.317 50 0 CDAALP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000241316734 376018433 /nfs/dbraw/zinc/01/84/33/376018433.db2.gz LULCOYMQYGPPGL-ZQDZILKHSA-N 2 2 279.428 1.317 50 0 CDAALP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000241316734 376018438 /nfs/dbraw/zinc/01/84/38/376018438.db2.gz LULCOYMQYGPPGL-ZQDZILKHSA-N 2 2 279.428 1.317 50 0 CDAALP OC[C@]1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000186650244 391345643 /nfs/dbraw/zinc/34/56/43/391345643.db2.gz RXRCMIWNOFYDQK-QGZVFWFLSA-N 2 2 290.407 1.392 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020534167 171240581 /nfs/dbraw/zinc/24/05/81/171240581.db2.gz OOMQZIHZOAAPLD-HNNXBMFYSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020534167 171240582 /nfs/dbraw/zinc/24/05/82/171240582.db2.gz OOMQZIHZOAAPLD-HNNXBMFYSA-N 2 2 292.427 1.529 50 0 CDAALP COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089401067 277334420 /nfs/dbraw/zinc/33/44/20/277334420.db2.gz DWHZMQTVBGTBTC-VXGBXAGGSA-N 2 2 267.373 1.044 50 0 CDAALP COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000089401067 277334421 /nfs/dbraw/zinc/33/44/21/277334421.db2.gz DWHZMQTVBGTBTC-VXGBXAGGSA-N 2 2 267.373 1.044 50 0 CDAALP Cc1nc(N2CCC([NH+]3CCOCC3)CC2)c(C)c(C)[nH+]1 ZINC000095390185 279075693 /nfs/dbraw/zinc/07/56/93/279075693.db2.gz PORYELAQQOEQSH-UHFFFAOYSA-N 2 2 290.411 1.703 50 0 CDAALP C[NH+]1CCC(OCCCn2cc[nH+]c2[C@H]2CCOC2)CC1 ZINC000077420794 327132129 /nfs/dbraw/zinc/13/21/29/327132129.db2.gz OKEJRSQJMCUDOT-AWEZNQCLSA-N 2 2 293.411 1.888 50 0 CDAALP OC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000585091226 482825583 /nfs/dbraw/zinc/82/55/83/482825583.db2.gz NUZLOAZZZJXJEW-HUUCEWRRSA-N 2 2 296.436 1.624 50 0 CDAALP CC[N@@H+]1CCN(CCc2[nH+]ccn2C)CC1(C)C ZINC000670459779 483044030 /nfs/dbraw/zinc/04/40/30/483044030.db2.gz JDLZZTKATPWMAG-UHFFFAOYSA-N 2 2 250.390 1.379 50 0 CDAALP CC[N@H+]1CCN(CCc2[nH+]ccn2C)CC1(C)C ZINC000670459779 483044037 /nfs/dbraw/zinc/04/40/37/483044037.db2.gz JDLZZTKATPWMAG-UHFFFAOYSA-N 2 2 250.390 1.379 50 0 CDAALP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000095422304 518181978 /nfs/dbraw/zinc/18/19/78/518181978.db2.gz WOMKCFSAAIHWEW-RHSMWYFYSA-N 2 2 293.430 1.982 50 0 CDAALP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000095422304 518181979 /nfs/dbraw/zinc/18/19/79/518181979.db2.gz WOMKCFSAAIHWEW-RHSMWYFYSA-N 2 2 293.430 1.982 50 0 CDAALP C[N@@H+](CCc1noc(C2CC2)n1)CC[C@H]1CCC[NH+]1C ZINC000252487735 682052259 /nfs/dbraw/zinc/05/22/59/682052259.db2.gz IAWFDSJGPPTILR-CYBMUJFWSA-N 2 2 278.400 1.906 50 0 CDAALP C[N@H+](CCc1noc(C2CC2)n1)CC[C@H]1CCC[NH+]1C ZINC000252487735 682052267 /nfs/dbraw/zinc/05/22/67/682052267.db2.gz IAWFDSJGPPTILR-CYBMUJFWSA-N 2 2 278.400 1.906 50 0 CDAALP C[NH+](CCc1noc(C2CC2)n1)CC[C@H]1CCC[N@@H+]1C ZINC000252487735 682052269 /nfs/dbraw/zinc/05/22/69/682052269.db2.gz IAWFDSJGPPTILR-CYBMUJFWSA-N 2 2 278.400 1.906 50 0 CDAALP C[NH+](CCc1noc(C2CC2)n1)CC[C@H]1CCC[N@H+]1C ZINC000252487735 682052284 /nfs/dbraw/zinc/05/22/84/682052284.db2.gz IAWFDSJGPPTILR-CYBMUJFWSA-N 2 2 278.400 1.906 50 0 CDAALP COc1cc[nH+]c(N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000104719912 722008635 /nfs/dbraw/zinc/00/86/35/722008635.db2.gz UGKFYRFRQDBKNE-UHFFFAOYSA-N 2 2 298.390 1.850 50 0 CDAALP CCCn1cnnc1C[NH2+][C@H](C)Cn1cc[nH+]c1CC ZINC000952873699 910429920 /nfs/dbraw/zinc/42/99/20/910429920.db2.gz NCAOFYXNZOTERI-GFCCVEGCSA-N 2 2 276.388 1.625 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC000828256284 926086268 /nfs/dbraw/zinc/08/62/68/926086268.db2.gz NRILOIRABOYIEA-UHFFFAOYSA-N 2 2 276.384 1.049 50 0 CDAALP O=C(c1ccccn1)[C@@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC001529191999 969009640 /nfs/dbraw/zinc/00/96/40/969009640.db2.gz MTPZBCIMBNFWAJ-CYBMUJFWSA-N 2 2 284.363 1.942 50 0 CDAALP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cn1cc[nH+]c1 ZINC000096446803 230374679 /nfs/dbraw/zinc/37/46/79/230374679.db2.gz HBFKEXVBNRJNAD-HUUCEWRRSA-N 2 2 292.427 1.900 50 0 CDAALP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1O ZINC000426477788 230419281 /nfs/dbraw/zinc/41/92/81/230419281.db2.gz VSSPWXURLAYCEL-ZIAGYGMSSA-N 2 2 289.404 1.704 50 0 CDAALP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1O ZINC000426477788 230419282 /nfs/dbraw/zinc/41/92/82/230419282.db2.gz VSSPWXURLAYCEL-ZIAGYGMSSA-N 2 2 289.404 1.704 50 0 CDAALP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1cccs1 ZINC000244601898 361854108 /nfs/dbraw/zinc/85/41/08/361854108.db2.gz DTWBGGGKCSOPLB-LBPRGKRZSA-N 2 2 281.425 1.568 50 0 CDAALP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1cccs1 ZINC000244601898 361854109 /nfs/dbraw/zinc/85/41/09/361854109.db2.gz DTWBGGGKCSOPLB-LBPRGKRZSA-N 2 2 281.425 1.568 50 0 CDAALP C[C@@H]([NH2+]Cc1ncnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910289 362337403 /nfs/dbraw/zinc/33/74/03/362337403.db2.gz SFFIBNBQIDFTLP-GFCCVEGCSA-N 2 2 282.351 1.852 50 0 CDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000091493900 180171550 /nfs/dbraw/zinc/17/15/50/180171550.db2.gz BWDBZHDLNIUTPU-UHFFFAOYSA-N 2 2 290.411 1.881 50 0 CDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091808999 180260761 /nfs/dbraw/zinc/26/07/61/180260761.db2.gz YWIVSHAVZGVYGB-UHFFFAOYSA-N 2 2 292.427 1.951 50 0 CDAALP COc1ccc(NC2=[NH+]C3(CCCC3)NC(=[NH2+])N2)cc1 ZINC000002482860 355970821 /nfs/dbraw/zinc/97/08/21/355970821.db2.gz XBTTVNCRLWYBTQ-UHFFFAOYSA-N 2 2 273.340 1.651 50 0 CDAALP CCn1nc(C)c(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1C ZINC000082127163 482763554 /nfs/dbraw/zinc/76/35/54/482763554.db2.gz GGCCUFYMBOCTQE-ZDUSSCGKSA-N 2 2 250.390 1.833 50 0 CDAALP CCn1nc(C)c(C[N@H+]2CCCC[C@H]([NH3+])C2)c1C ZINC000082127163 482763556 /nfs/dbraw/zinc/76/35/56/482763556.db2.gz GGCCUFYMBOCTQE-ZDUSSCGKSA-N 2 2 250.390 1.833 50 0 CDAALP CCc1cc(NCCCOC2CC[NH+](C)CC2)nc[nH+]1 ZINC000095387108 358691472 /nfs/dbraw/zinc/69/14/72/358691472.db2.gz RUGDUZWVLSYMES-UHFFFAOYSA-N 2 2 278.400 1.952 50 0 CDAALP Cc1[nH+]c2ccccc2n1C[C@H](O)C[NH+]1CCOCC1 ZINC000026711328 359441882 /nfs/dbraw/zinc/44/18/82/359441882.db2.gz ZAIBLKIWAXRPOP-CYBMUJFWSA-N 2 2 275.352 1.038 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000293603054 370709561 /nfs/dbraw/zinc/70/95/61/370709561.db2.gz LGSJUNCURCYXLE-HUUCEWRRSA-N 2 2 296.436 1.878 50 0 CDAALP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H]3CCCO3)CC2)S1 ZINC000095409812 374912676 /nfs/dbraw/zinc/91/26/76/374912676.db2.gz SKGFRISVJCXRIT-LBPRGKRZSA-N 2 2 283.441 1.664 50 0 CDAALP COCC[NH+]1[C@H](C)CN(c2cccc(C)[nH+]2)C[C@H]1C ZINC000097163389 390803255 /nfs/dbraw/zinc/80/32/55/390803255.db2.gz IFRIXEXQPVQJTF-ZIAGYGMSSA-N 2 2 263.385 1.935 50 0 CDAALP C[C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H]1C[NH3+] ZINC000179226494 390945823 /nfs/dbraw/zinc/94/58/23/390945823.db2.gz HARKAPMUXJLUDN-TZMCWYRMSA-N 2 2 299.378 1.467 50 0 CDAALP NC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)CC1 ZINC000037314058 173115537 /nfs/dbraw/zinc/11/55/37/173115537.db2.gz XCYRZWGSEXYOKU-OLZOCXBDSA-N 2 2 277.372 1.109 50 0 CDAALP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000072138781 176322993 /nfs/dbraw/zinc/32/29/93/176322993.db2.gz XNIXDOJALFIERW-MRXNPFEDSA-N 2 2 296.386 1.593 50 0 CDAALP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000072138781 176322995 /nfs/dbraw/zinc/32/29/95/176322995.db2.gz XNIXDOJALFIERW-MRXNPFEDSA-N 2 2 296.386 1.593 50 0 CDAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000072144644 176324210 /nfs/dbraw/zinc/32/42/10/176324210.db2.gz WYOANFISMXYTRT-ZBFHGGJFSA-N 2 2 292.379 1.787 50 0 CDAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000072144644 176324212 /nfs/dbraw/zinc/32/42/12/176324212.db2.gz WYOANFISMXYTRT-ZBFHGGJFSA-N 2 2 292.379 1.787 50 0 CDAALP CN1CC2(CCC1=O)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC000091625665 289864723 /nfs/dbraw/zinc/86/47/23/289864723.db2.gz ASHTVYCJWDJGHG-ZDUSSCGKSA-N 2 2 265.401 1.073 50 0 CDAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000670439030 482982882 /nfs/dbraw/zinc/98/28/82/482982882.db2.gz GGDUQUGUJFMEJN-OAHLLOKOSA-N 2 2 291.439 1.629 50 0 CDAALP C[N@H+]1CCCNC(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000670439030 482982887 /nfs/dbraw/zinc/98/28/87/482982887.db2.gz GGDUQUGUJFMEJN-OAHLLOKOSA-N 2 2 291.439 1.629 50 0 CDAALP C[NH+](C)C1(CNC(=O)[C@@H]2CC23CCC3)CC[NH+](C)CC1 ZINC000670442322 482989623 /nfs/dbraw/zinc/98/96/23/482989623.db2.gz LLCCVCIZYPKOHC-ZDUSSCGKSA-N 2 2 279.428 1.319 50 0 CDAALP C(C[NH+]1CCOC[C@@H]1C1CC1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000121562549 527481686 /nfs/dbraw/zinc/48/16/86/527481686.db2.gz OBQUJAPAAQFGOA-IAGOWNOFSA-N 2 2 294.439 1.598 50 0 CDAALP C(C[NH+]1CCOC[C@@H]1C1CC1)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000121562549 527481688 /nfs/dbraw/zinc/48/16/88/527481688.db2.gz OBQUJAPAAQFGOA-IAGOWNOFSA-N 2 2 294.439 1.598 50 0 CDAALP C[C@@H]([NH2+]CCCNc1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000888098455 617761609 /nfs/dbraw/zinc/76/16/09/617761609.db2.gz IZRWISSKDWSCMR-NVXWUHKLSA-N 2 2 290.455 1.713 50 0 CDAALP C[C@@H]([NH2+]CCCNc1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000888098455 617761618 /nfs/dbraw/zinc/76/16/18/617761618.db2.gz IZRWISSKDWSCMR-NVXWUHKLSA-N 2 2 290.455 1.713 50 0 CDAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)Cc1cccc(C)n1 ZINC001704326389 1177689050 /nfs/dbraw/zinc/68/90/50/1177689050.db2.gz BNUYJGWFONWXRQ-UHFFFAOYSA-N 2 2 287.411 1.985 50 0 CDAALP C[C@H](Cn1ccnc1)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000821495615 925586902 /nfs/dbraw/zinc/58/69/02/925586902.db2.gz OFJDXPXPQSLTFQ-CYBMUJFWSA-N 2 2 259.357 1.538 50 0 CDAALP CNc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1F ZINC000824090528 925799110 /nfs/dbraw/zinc/79/91/10/925799110.db2.gz HLCKDMVYDQTPHG-UHFFFAOYSA-N 2 2 296.394 1.095 50 0 CDAALP CC[N@@H+]1CCCC[C@@H]1CNc1cc(OC)[nH+]c(N)n1 ZINC001529171936 969001836 /nfs/dbraw/zinc/00/18/36/969001836.db2.gz BAMGUNZWSMUNCA-SNVBAGLBSA-N 2 2 265.361 1.354 50 0 CDAALP CC[N@H+]1CCCC[C@@H]1CNc1cc(OC)[nH+]c(N)n1 ZINC001529171936 969001841 /nfs/dbraw/zinc/00/18/41/969001841.db2.gz BAMGUNZWSMUNCA-SNVBAGLBSA-N 2 2 265.361 1.354 50 0 CDAALP C[C@H](c1cnccn1)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000253370471 361925925 /nfs/dbraw/zinc/92/59/25/361925925.db2.gz RGQIXNORXCMUOF-HOSILWTGSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000253370471 361925931 /nfs/dbraw/zinc/92/59/31/361925931.db2.gz RGQIXNORXCMUOF-HOSILWTGSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000253370471 361925935 /nfs/dbraw/zinc/92/59/35/361925935.db2.gz RGQIXNORXCMUOF-HOSILWTGSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000253370471 361925941 /nfs/dbraw/zinc/92/59/41/361925941.db2.gz RGQIXNORXCMUOF-HOSILWTGSA-N 2 2 272.396 1.954 50 0 CDAALP C[N@H+](Cc1ccccc1)C1CC[NH+](CCn2cnnc2)CC1 ZINC000670441519 539114237 /nfs/dbraw/zinc/11/42/37/539114237.db2.gz DSGQJGOUDFLUTG-UHFFFAOYSA-N 2 2 299.422 1.875 50 0 CDAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCn2cnnc2)CC1 ZINC000670441519 539114238 /nfs/dbraw/zinc/11/42/38/539114238.db2.gz DSGQJGOUDFLUTG-UHFFFAOYSA-N 2 2 299.422 1.875 50 0 CDAALP Cc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCn1cc[nH+]c1 ZINC000584886004 349343925 /nfs/dbraw/zinc/34/39/25/349343925.db2.gz WYKZTAQVAYLQHL-LBPRGKRZSA-N 2 2 275.356 1.498 50 0 CDAALP Cn1c[nH+]cc1CCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000097373089 356093645 /nfs/dbraw/zinc/09/36/45/356093645.db2.gz YAHNACBFFFMDLW-UHFFFAOYSA-N 2 2 299.382 1.969 50 0 CDAALP COc1ccc2[nH]c(C[NH2+][C@H](C)Cn3cc[nH+]c3)nc2c1 ZINC000067724485 357621454 /nfs/dbraw/zinc/62/14/54/357621454.db2.gz SLHJFNVHNOGVOR-LLVKDONJSA-N 2 2 285.351 1.946 50 0 CDAALP C[C@@H](C1CC[NH+](Cc2ncc[nH]2)CC1)[NH+]1CCOCC1 ZINC000072474381 357838158 /nfs/dbraw/zinc/83/81/58/357838158.db2.gz SXXZNGRNXDTNAN-ZDUSSCGKSA-N 2 2 278.400 1.342 50 0 CDAALP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc2ccccc21 ZINC000095098705 358678456 /nfs/dbraw/zinc/67/84/56/358678456.db2.gz ARHZSUTUKFGWGB-ZDUSSCGKSA-N 2 2 258.365 1.900 50 0 CDAALP CN(CCc1ccccn1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219073706 359077798 /nfs/dbraw/zinc/07/77/98/359077798.db2.gz YDMDOJNXJVDPMP-UHFFFAOYSA-N 2 2 298.394 1.337 50 0 CDAALP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3[nH+]ccn3c1)C2 ZINC000219912220 359137329 /nfs/dbraw/zinc/13/73/29/359137329.db2.gz INBKPMLYZHHBFW-VIKVFOODSA-N 2 2 298.390 1.747 50 0 CDAALP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ncc[nH]2)CC1 ZINC000408518982 359911856 /nfs/dbraw/zinc/91/18/56/359911856.db2.gz PFYBDJOWSMGKAJ-UHFFFAOYSA-N 2 2 279.432 1.258 50 0 CDAALP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ncc[nH]2)CC1 ZINC000408518982 359911858 /nfs/dbraw/zinc/91/18/58/359911858.db2.gz PFYBDJOWSMGKAJ-UHFFFAOYSA-N 2 2 279.432 1.258 50 0 CDAALP CC(C)(C)OCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000095410508 374912950 /nfs/dbraw/zinc/91/29/50/374912950.db2.gz BYOHIKKESOOZNK-HNNXBMFYSA-N 2 2 284.444 1.846 50 0 CDAALP CC(C)(C)OCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000095410508 374912955 /nfs/dbraw/zinc/91/29/55/374912955.db2.gz BYOHIKKESOOZNK-HNNXBMFYSA-N 2 2 284.444 1.846 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cnc(N)s2)C1 ZINC000670466650 483056873 /nfs/dbraw/zinc/05/68/73/483056873.db2.gz VTRXNYZEMBHRGK-NSHDSACASA-N 2 2 284.429 1.125 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cnc(N)s2)C1 ZINC000670466650 483056875 /nfs/dbraw/zinc/05/68/75/483056875.db2.gz VTRXNYZEMBHRGK-NSHDSACASA-N 2 2 284.429 1.125 50 0 CDAALP [NH3+][C@@H]1CC[C@@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000071405623 379587649 /nfs/dbraw/zinc/58/76/49/379587649.db2.gz SWMFNGTZABULTQ-CHWSQXEVSA-N 2 2 270.336 1.686 50 0 CDAALP CCc1ccc(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)nc1 ZINC000072156308 176328624 /nfs/dbraw/zinc/32/86/24/176328624.db2.gz VGHUQYKTXZQCHA-OAHLLOKOSA-N 2 2 277.412 1.654 50 0 CDAALP CCc1ccc(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)nc1 ZINC000072156308 176328627 /nfs/dbraw/zinc/32/86/27/176328627.db2.gz VGHUQYKTXZQCHA-OAHLLOKOSA-N 2 2 277.412 1.654 50 0 CDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccco3)C2)CC1 ZINC000011842608 277027252 /nfs/dbraw/zinc/02/72/52/277027252.db2.gz MOPMUDJVYWNDED-CYBMUJFWSA-N 2 2 291.395 1.568 50 0 CDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccco3)C2)CC1 ZINC000011842608 277027253 /nfs/dbraw/zinc/02/72/53/277027253.db2.gz MOPMUDJVYWNDED-CYBMUJFWSA-N 2 2 291.395 1.568 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[nH+]1 ZINC000534588163 328316609 /nfs/dbraw/zinc/31/66/09/328316609.db2.gz BFPBYNXMEUWTHE-UHFFFAOYSA-N 2 2 293.415 1.734 50 0 CDAALP C[C@@H](C[NH+]1CCCCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000534636205 328333806 /nfs/dbraw/zinc/33/38/06/328333806.db2.gz OMSRGHUTQYTWKS-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP C[NH+](C)CCN1CC[N@H+](Cc2ccc(Cl)o2)CCC1=O ZINC000670457194 483037497 /nfs/dbraw/zinc/03/74/97/483037497.db2.gz DVQQEUZYNFYCHT-UHFFFAOYSA-N 2 2 299.802 1.529 50 0 CDAALP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(Cl)o2)CCC1=O ZINC000670457194 483037502 /nfs/dbraw/zinc/03/75/02/483037502.db2.gz DVQQEUZYNFYCHT-UHFFFAOYSA-N 2 2 299.802 1.529 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cnc(N)s2)C1 ZINC000670466650 483056863 /nfs/dbraw/zinc/05/68/63/483056863.db2.gz VTRXNYZEMBHRGK-NSHDSACASA-N 2 2 284.429 1.125 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cnc(N)s2)C1 ZINC000670466650 483056867 /nfs/dbraw/zinc/05/68/67/483056867.db2.gz VTRXNYZEMBHRGK-NSHDSACASA-N 2 2 284.429 1.125 50 0 CDAALP CCCCc1[nH]c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c[nH+]1 ZINC000426517844 694829305 /nfs/dbraw/zinc/82/93/05/694829305.db2.gz NTJWXMLHJRJERB-UHFFFAOYSA-N 3 2 292.427 1.707 50 0 CDAALP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)[nH]1 ZINC000095940818 185036432 /nfs/dbraw/zinc/03/64/32/185036432.db2.gz RJJXGQARFGJMQW-ZDUSSCGKSA-N 2 2 288.351 1.662 50 0 CDAALP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)[nH]1 ZINC000095940818 185036433 /nfs/dbraw/zinc/03/64/33/185036433.db2.gz RJJXGQARFGJMQW-ZDUSSCGKSA-N 2 2 288.351 1.662 50 0 CDAALP CCC[C@H]1CN(Cc2[nH+]ccn2CCOC)C[C@@H]1[NH+](C)C ZINC000091831084 180266178 /nfs/dbraw/zinc/26/61/78/180266178.db2.gz RZXAGIYHSRQSBT-GJZGRUSLSA-N 2 2 294.443 1.692 50 0 CDAALP CCC[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1NC(=O)C(C)(C)C ZINC000091987205 180298857 /nfs/dbraw/zinc/29/88/57/180298857.db2.gz SOSYTTDQUYJUIG-STQMWFEESA-N 2 2 283.460 1.987 50 0 CDAALP CCC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1NC(=O)C(C)(C)C ZINC000091987205 180298858 /nfs/dbraw/zinc/29/88/58/180298858.db2.gz SOSYTTDQUYJUIG-STQMWFEESA-N 2 2 283.460 1.987 50 0 CDAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCOCC3)c2cc1C ZINC000012633209 366222911 /nfs/dbraw/zinc/22/29/11/366222911.db2.gz KTERXBPXAHUKLX-CQSZACIVSA-N 2 2 289.379 1.346 50 0 CDAALP Fc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002380313 355968395 /nfs/dbraw/zinc/96/83/95/355968395.db2.gz GYOBGFHXRZIXEL-UHFFFAOYSA-N 2 2 252.333 1.638 50 0 CDAALP CCC[NH+]1CCC([NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000023283336 356639063 /nfs/dbraw/zinc/63/90/63/356639063.db2.gz WUCCJQNOSQHLCI-UHFFFAOYSA-N 2 2 289.427 1.473 50 0 CDAALP Cc1cc(Br)cn2cc(CC[NH3+])[nH+]c12 ZINC000036243543 356867609 /nfs/dbraw/zinc/86/76/09/356867609.db2.gz IPCVGTYJIGMZLX-UHFFFAOYSA-N 2 2 254.131 1.906 50 0 CDAALP CCC[C@@H]1CN(Cc2[nH]c[nH+]c2C)C[C@H]1[NH+](C)C ZINC000082156202 358149315 /nfs/dbraw/zinc/14/93/15/358149315.db2.gz GVNYHODVNDPMCV-TZMCWYRMSA-N 2 2 250.390 1.880 50 0 CDAALP Cc1c[nH]c(CN(C)c2nc(C)nc3c2CC[NH2+]CC3)[nH+]1 ZINC000063871202 370914943 /nfs/dbraw/zinc/91/49/43/370914943.db2.gz ZMYPDZCGGRDKSP-UHFFFAOYSA-N 2 2 286.383 1.141 50 0 CDAALP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3nccs3)C2)CC1 ZINC000367622493 369201718 /nfs/dbraw/zinc/20/17/18/369201718.db2.gz IFYWRZKSGNZWCX-CQSZACIVSA-N 2 2 294.468 1.603 50 0 CDAALP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3nccs3)C2)CC1 ZINC000367622493 369201721 /nfs/dbraw/zinc/20/17/21/369201721.db2.gz IFYWRZKSGNZWCX-CQSZACIVSA-N 2 2 294.468 1.603 50 0 CDAALP C1=CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000093664012 374775894 /nfs/dbraw/zinc/77/58/94/374775894.db2.gz MSTSDPOUJXITSU-JKSUJKDBSA-N 2 2 264.413 1.997 50 0 CDAALP C1=CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000093664012 374775901 /nfs/dbraw/zinc/77/59/01/374775901.db2.gz MSTSDPOUJXITSU-JKSUJKDBSA-N 2 2 264.413 1.997 50 0 CDAALP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@@H]1C ZINC000093193984 393118363 /nfs/dbraw/zinc/11/83/63/393118363.db2.gz MFJCFWOMZNGVGY-KBPBESRZSA-N 2 2 267.417 1.127 50 0 CDAALP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@@H]1C ZINC000093193984 393118372 /nfs/dbraw/zinc/11/83/72/393118372.db2.gz MFJCFWOMZNGVGY-KBPBESRZSA-N 2 2 267.417 1.127 50 0 CDAALP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945020 393132377 /nfs/dbraw/zinc/13/23/77/393132377.db2.gz YMQXQUKAMNASFG-LSDHHAIUSA-N 2 2 290.455 1.649 50 0 CDAALP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945020 393132380 /nfs/dbraw/zinc/13/23/80/393132380.db2.gz YMQXQUKAMNASFG-LSDHHAIUSA-N 2 2 290.455 1.649 50 0 CDAALP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000040457335 277188219 /nfs/dbraw/zinc/18/82/19/277188219.db2.gz LCBUIDRWWNJXKR-ZDUSSCGKSA-N 2 2 283.416 1.539 50 0 CDAALP C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000254956024 289346975 /nfs/dbraw/zinc/34/69/75/289346975.db2.gz ZMZFMPKMHBFPGQ-HJHHMULASA-N 2 2 296.374 1.706 50 0 CDAALP c1coc(C[NH+]2CCC([NH2+]CCn3cncn3)CC2)c1 ZINC000534584081 328310408 /nfs/dbraw/zinc/31/04/08/328310408.db2.gz LXLVZZRIRSUSPI-UHFFFAOYSA-N 2 2 275.356 1.125 50 0 CDAALP COCc1noc(C[NH2+][C@H](C)CCn2cc[nH+]c2C)n1 ZINC000534631742 328331669 /nfs/dbraw/zinc/33/16/69/328331669.db2.gz UNJXITBVZKHDPM-SNVBAGLBSA-N 2 2 279.344 1.289 50 0 CDAALP Cc1[nH+]cc(C[NH2+]CC[S@@](C)=O)n1-c1ccccc1 ZINC000084041671 483236130 /nfs/dbraw/zinc/23/61/30/483236130.db2.gz BNPNZHGDMZIGMS-IBGZPJMESA-N 2 2 277.393 1.649 50 0 CDAALP Cc1nc(NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc[nH+]1 ZINC000871659004 695373038 /nfs/dbraw/zinc/37/30/38/695373038.db2.gz BLBQIGDHWHRWOJ-GFCCVEGCSA-N 2 2 262.357 1.356 50 0 CDAALP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000001193410 695392654 /nfs/dbraw/zinc/39/26/54/695392654.db2.gz QTYUSVDINJAGQZ-KGLIPLIRSA-N 2 2 287.407 1.362 50 0 CDAALP C[NH+]1CCC([N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000001193410 695392658 /nfs/dbraw/zinc/39/26/58/695392658.db2.gz QTYUSVDINJAGQZ-KGLIPLIRSA-N 2 2 287.407 1.362 50 0 CDAALP Cc1cc(C(N)=O)c(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]c1C ZINC001704313378 1177685948 /nfs/dbraw/zinc/68/59/48/1177685948.db2.gz OXAZKAKFOBKDGR-ZDUSSCGKSA-N 2 2 290.411 1.941 50 0 CDAALP Cc1cc(C(N)=O)c(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]c1C ZINC001704313378 1177685952 /nfs/dbraw/zinc/68/59/52/1177685952.db2.gz OXAZKAKFOBKDGR-ZDUSSCGKSA-N 2 2 290.411 1.941 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC000426575133 724118340 /nfs/dbraw/zinc/11/83/40/724118340.db2.gz POIACFKLPRXFGE-UHFFFAOYSA-N 2 2 250.346 1.209 50 0 CDAALP O=C(C1CCC1)N1CCC[N@H+](CCc2[nH]cc[nH+]2)CC1 ZINC000827939039 926004299 /nfs/dbraw/zinc/00/42/99/926004299.db2.gz BXYNLYVUPHIABB-UHFFFAOYSA-N 2 2 276.384 1.287 50 0 CDAALP O=C(C1CCC1)N1CCC[N@@H+](CCc2[nH]cc[nH+]2)CC1 ZINC000827939039 926004306 /nfs/dbraw/zinc/00/43/06/926004306.db2.gz BXYNLYVUPHIABB-UHFFFAOYSA-N 2 2 276.384 1.287 50 0 CDAALP CCC[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(C)c2Cl)C1 ZINC001506428412 975161933 /nfs/dbraw/zinc/16/19/33/975161933.db2.gz PSVKWUXWVSJMFY-VIFPVBQESA-N 2 2 269.780 1.917 50 0 CDAALP CCC[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(C)c2Cl)C1 ZINC001506428412 975161936 /nfs/dbraw/zinc/16/19/36/975161936.db2.gz PSVKWUXWVSJMFY-VIFPVBQESA-N 2 2 269.780 1.917 50 0 CDAALP CCOCCCNc1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244899806 361869078 /nfs/dbraw/zinc/86/90/78/361869078.db2.gz ZQLKHXZUWOLZOH-AOOOYVTPSA-N 2 2 265.361 1.102 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000049235508 342282419 /nfs/dbraw/zinc/28/24/19/342282419.db2.gz CRTFTVMQSQEJND-NSHDSACASA-N 2 2 283.335 1.298 50 0 CDAALP C[C@@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)OCO2 ZINC000090649282 180018137 /nfs/dbraw/zinc/01/81/37/180018137.db2.gz LIRPGXFIBQLNJG-OCCSQVGLSA-N 2 2 289.379 1.066 50 0 CDAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccn2)C1 ZINC000091966349 180293611 /nfs/dbraw/zinc/29/36/11/180293611.db2.gz YQPAMHDKSIMYEC-KGLIPLIRSA-N 2 2 263.385 1.074 50 0 CDAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccn2)C1 ZINC000091966349 180293613 /nfs/dbraw/zinc/29/36/13/180293613.db2.gz YQPAMHDKSIMYEC-KGLIPLIRSA-N 2 2 263.385 1.074 50 0 CDAALP CCC[C@H](CN=c1[nH+]c(N(C)C)[nH]s1)[NH+](C)C ZINC000584901421 355956315 /nfs/dbraw/zinc/95/63/15/355956315.db2.gz KDJFWVWGZKRZFJ-SECBINFHSA-N 2 2 257.407 1.168 50 0 CDAALP Fc1ccccc1N1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000019779170 356502019 /nfs/dbraw/zinc/50/20/19/356502019.db2.gz BOLQWIBJKPSDGA-UHFFFAOYSA-N 2 2 263.360 1.700 50 0 CDAALP C[C@@H](C(=O)NCCc1[nH+]ccn1C)[NH+]1CCCCCC1 ZINC000095404150 357198230 /nfs/dbraw/zinc/19/82/30/357198230.db2.gz SLBCHUXDQHZGBN-ZDUSSCGKSA-N 2 2 278.400 1.343 50 0 CDAALP CCNc1cc[nH+]c(N2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000065403502 357537560 /nfs/dbraw/zinc/53/75/60/357537560.db2.gz KDCRVEPTIIOOGZ-GFCCVEGCSA-N 2 2 263.389 1.829 50 0 CDAALP C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097110953 357986753 /nfs/dbraw/zinc/98/67/53/357986753.db2.gz VUZZMUCDIAPGBP-STQMWFEESA-N 2 2 277.416 1.558 50 0 CDAALP C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110953 357986754 /nfs/dbraw/zinc/98/67/54/357986754.db2.gz VUZZMUCDIAPGBP-STQMWFEESA-N 2 2 277.416 1.558 50 0 CDAALP Cc1[nH]c(C[NH+]2CCC(Cn3cccn3)CC2)c[nH+]1 ZINC000215196841 358878881 /nfs/dbraw/zinc/87/88/81/358878881.db2.gz SPGIRVGYOUPSOY-UHFFFAOYSA-N 2 2 259.357 1.827 50 0 CDAALP COCC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222418398 359341011 /nfs/dbraw/zinc/34/10/11/359341011.db2.gz NBSUXDFNBKIFFQ-UHFFFAOYSA-N 2 2 291.399 1.126 50 0 CDAALP [NH3+]C1CC(c2cc(NCc3[nH]cc[nH+]3)nc(C3CC3)n2)C1 ZINC000223509382 359431361 /nfs/dbraw/zinc/43/13/61/359431361.db2.gz UAWGSJGCKJXTMD-UHFFFAOYSA-N 2 2 284.367 1.894 50 0 CDAALP Fc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000097773036 361081504 /nfs/dbraw/zinc/08/15/04/361081504.db2.gz HBNGERYMWVNDKA-ZDUSSCGKSA-N 2 2 297.805 1.959 50 0 CDAALP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000283928388 368428938 /nfs/dbraw/zinc/42/89/38/368428938.db2.gz GQXNKCUBKOBUKY-ZDUSSCGKSA-N 2 2 275.352 1.122 50 0 CDAALP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000240744092 376017642 /nfs/dbraw/zinc/01/76/42/376017642.db2.gz HULNCOUMAWUBCT-MNOVXSKESA-N 2 2 265.323 1.307 50 0 CDAALP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000240744092 376017648 /nfs/dbraw/zinc/01/76/48/376017648.db2.gz HULNCOUMAWUBCT-MNOVXSKESA-N 2 2 265.323 1.307 50 0 CDAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077406924 177263960 /nfs/dbraw/zinc/26/39/60/177263960.db2.gz KAQALTULCLBMDY-GFCCVEGCSA-N 2 2 287.367 1.575 50 0 CDAALP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077456198 177270942 /nfs/dbraw/zinc/27/09/42/177270942.db2.gz GTWQSTIVQCENSY-OAHLLOKOSA-N 2 2 290.411 1.750 50 0 CDAALP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000269199269 278317233 /nfs/dbraw/zinc/31/72/33/278317233.db2.gz XYMUUHUFWDSZNZ-TZMCWYRMSA-N 2 2 299.378 1.609 50 0 CDAALP [NH3+]C[C@H]1C[N@H+](CCCCOCc2ccccc2)CCO1 ZINC000534673009 328348480 /nfs/dbraw/zinc/34/84/80/328348480.db2.gz IPVLXRMPHYABLL-INIZCTEOSA-N 2 2 278.396 1.643 50 0 CDAALP [NH3+]C[C@H]1C[N@@H+](CCCCOCc2ccccc2)CCO1 ZINC000534673009 328348482 /nfs/dbraw/zinc/34/84/82/328348482.db2.gz IPVLXRMPHYABLL-INIZCTEOSA-N 2 2 278.396 1.643 50 0 CDAALP COc1cc2c(cc1C[NH2+][C@H](C)CC[NH+](C)C)OCCO2 ZINC000670468126 483059393 /nfs/dbraw/zinc/05/93/93/483059393.db2.gz CUUNBYKESIZGEX-GFCCVEGCSA-N 2 2 294.395 1.896 50 0 CDAALP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC000585133467 1164216432 /nfs/dbraw/zinc/21/64/32/1164216432.db2.gz IVXVKLSULBVUOD-FOLVSLTJSA-N 2 2 291.370 1.646 50 0 CDAALP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC000585133467 1164216440 /nfs/dbraw/zinc/21/64/40/1164216440.db2.gz IVXVKLSULBVUOD-FOLVSLTJSA-N 2 2 291.370 1.646 50 0 CDAALP Cc1[nH+]cn(CCNc2nc(N)[nH+]c(C)c2Cl)c1C ZINC001529154251 968997793 /nfs/dbraw/zinc/99/77/93/968997793.db2.gz IIIGUDMAKFFEOF-UHFFFAOYSA-N 2 2 280.763 1.946 50 0 CDAALP COc1cccc(OC)c1OCC[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC000082125640 177922576 /nfs/dbraw/zinc/92/25/76/177922576.db2.gz DCJDZPKSHDPWJU-ZDUSSCGKSA-N 2 2 294.395 1.896 50 0 CDAALP COc1cccc(OC)c1OCC[N@H+]1CCCC[C@H]([NH3+])C1 ZINC000082125640 177922577 /nfs/dbraw/zinc/92/25/77/177922577.db2.gz DCJDZPKSHDPWJU-ZDUSSCGKSA-N 2 2 294.395 1.896 50 0 CDAALP COCC[N@H+](C)C[C@H]1CCCN1c1cccc(C)[nH+]1 ZINC000195575670 342628870 /nfs/dbraw/zinc/62/88/70/342628870.db2.gz ZNRIQPVJLYKRCT-CQSZACIVSA-N 2 2 263.385 1.937 50 0 CDAALP COCC[N@@H+](C)C[C@H]1CCCN1c1cccc(C)[nH+]1 ZINC000195575670 342628871 /nfs/dbraw/zinc/62/88/71/342628871.db2.gz ZNRIQPVJLYKRCT-CQSZACIVSA-N 2 2 263.385 1.937 50 0 CDAALP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000011729473 356278197 /nfs/dbraw/zinc/27/81/97/356278197.db2.gz SFGKHXRAIWBGPR-UHFFFAOYSA-N 2 2 250.342 1.627 50 0 CDAALP Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000019868613 356512066 /nfs/dbraw/zinc/51/20/66/356512066.db2.gz PINJXNRJRQRMKC-UHFFFAOYSA-N 2 2 268.364 1.986 50 0 CDAALP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000097200740 358188796 /nfs/dbraw/zinc/18/87/96/358188796.db2.gz TVXLYYBEJFGTDP-ZDUSSCGKSA-N 2 2 288.395 1.436 50 0 CDAALP CN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000097200740 358188799 /nfs/dbraw/zinc/18/87/99/358188799.db2.gz TVXLYYBEJFGTDP-ZDUSSCGKSA-N 2 2 288.395 1.436 50 0 CDAALP O=C(CSCC[NH+]1CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000095367815 358686960 /nfs/dbraw/zinc/68/69/60/358686960.db2.gz GWZOFZCFOCOQTI-UHFFFAOYSA-N 2 2 294.424 1.123 50 0 CDAALP O=C(CSCC[NH+]1CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000095367815 358686962 /nfs/dbraw/zinc/68/69/62/358686962.db2.gz GWZOFZCFOCOQTI-UHFFFAOYSA-N 2 2 294.424 1.123 50 0 CDAALP CCc1c(C)[nH+]c(N)nc1NC[C@@H](CC)[NH+]1CCOCC1 ZINC000095379371 358689850 /nfs/dbraw/zinc/68/98/50/358689850.db2.gz QBAQMNDGLZBFRU-GFCCVEGCSA-N 2 2 293.415 1.452 50 0 CDAALP CN(C)c1nc(N)cc(-c2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC000097514295 358781590 /nfs/dbraw/zinc/78/15/90/358781590.db2.gz UNHKLYSAQHIYMY-UHFFFAOYSA-N 2 2 271.368 1.853 50 0 CDAALP CCc1nccc(C[N@H+](C)C[C@@H]2CC[NH+](CCOC)C2)n1 ZINC000215775151 358903461 /nfs/dbraw/zinc/90/34/61/358903461.db2.gz RVMSPCPBOFJBNQ-AWEZNQCLSA-N 2 2 292.427 1.439 50 0 CDAALP CCc1nccc(C[N@@H+](C)C[C@@H]2CC[NH+](CCOC)C2)n1 ZINC000215775151 358903464 /nfs/dbraw/zinc/90/34/64/358903464.db2.gz RVMSPCPBOFJBNQ-AWEZNQCLSA-N 2 2 292.427 1.439 50 0 CDAALP CCc1nccc(C[NH+](C)C[C@@H]2CC[N@H+](CCOC)C2)n1 ZINC000215775151 358903466 /nfs/dbraw/zinc/90/34/66/358903466.db2.gz RVMSPCPBOFJBNQ-AWEZNQCLSA-N 2 2 292.427 1.439 50 0 CDAALP CCc1nccc(C[NH+](C)C[C@@H]2CC[N@@H+](CCOC)C2)n1 ZINC000215775151 358903468 /nfs/dbraw/zinc/90/34/68/358903468.db2.gz RVMSPCPBOFJBNQ-AWEZNQCLSA-N 2 2 292.427 1.439 50 0 CDAALP Cc1c[nH]c(CNC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000426661365 360694168 /nfs/dbraw/zinc/69/41/68/360694168.db2.gz RAXPSKWSWUNTQG-GFCCVEGCSA-N 2 2 291.399 1.486 50 0 CDAALP Cc1c[nH]c(CNC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000426661365 360694173 /nfs/dbraw/zinc/69/41/73/360694173.db2.gz RAXPSKWSWUNTQG-GFCCVEGCSA-N 2 2 291.399 1.486 50 0 CDAALP Cc1nc(N(C)C2CC[NH+](C)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426419960 360668051 /nfs/dbraw/zinc/66/80/51/360668051.db2.gz IGBJXGHNVMLNFB-CYBMUJFWSA-N 2 2 290.411 1.819 50 0 CDAALP Cc1[nH+]ccn1-c1ccnc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089735885 366923329 /nfs/dbraw/zinc/92/33/29/366923329.db2.gz VZBPVMBITZGNAU-LBPRGKRZSA-N 2 2 299.378 1.352 50 0 CDAALP Cc1[nH+]ccn1-c1ccnc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089735885 366923331 /nfs/dbraw/zinc/92/33/31/366923331.db2.gz VZBPVMBITZGNAU-LBPRGKRZSA-N 2 2 299.378 1.352 50 0 CDAALP Cc1[nH]c(CN(C)C[C@@H]2CCCC[N@@H+]2C)[nH+]c1C ZINC000299781887 372760440 /nfs/dbraw/zinc/76/04/40/372760440.db2.gz LXAHWUZOCXJEIZ-ZDUSSCGKSA-N 2 2 250.390 1.943 50 0 CDAALP Cc1[nH]c(CN(C)C[C@@H]2CCCC[N@H+]2C)[nH+]c1C ZINC000299781887 372760453 /nfs/dbraw/zinc/76/04/53/372760453.db2.gz LXAHWUZOCXJEIZ-ZDUSSCGKSA-N 2 2 250.390 1.943 50 0 CDAALP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000097160067 375150649 /nfs/dbraw/zinc/15/06/49/375150649.db2.gz HFZPMEJSTYTXST-CQSZACIVSA-N 2 2 294.443 1.644 50 0 CDAALP C[N@H+](CC(=O)N1CCC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC000534631852 328331628 /nfs/dbraw/zinc/33/16/28/328331628.db2.gz SKGDINFCKUGRRO-UHFFFAOYSA-N 2 2 279.428 1.463 50 0 CDAALP C[N@@H+](CC(=O)N1CCC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC000534631852 328331629 /nfs/dbraw/zinc/33/16/29/328331629.db2.gz SKGDINFCKUGRRO-UHFFFAOYSA-N 2 2 279.428 1.463 50 0 CDAALP CCn1cnnc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000670462230 483047547 /nfs/dbraw/zinc/04/75/47/483047547.db2.gz MRZAASNXJCBSDF-UHFFFAOYSA-N 2 2 262.361 1.325 50 0 CDAALP CCn1cnnc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000670462230 483047552 /nfs/dbraw/zinc/04/75/52/483047552.db2.gz MRZAASNXJCBSDF-UHFFFAOYSA-N 2 2 262.361 1.325 50 0 CDAALP COc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1F ZINC000192981105 362749095 /nfs/dbraw/zinc/74/90/95/362749095.db2.gz ZAMCDJGMFIPRLY-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1F ZINC000192981105 362749102 /nfs/dbraw/zinc/74/91/02/362749102.db2.gz ZAMCDJGMFIPRLY-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1F ZINC000192981105 362749109 /nfs/dbraw/zinc/74/91/09/362749109.db2.gz ZAMCDJGMFIPRLY-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP COc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1F ZINC000192981105 362749112 /nfs/dbraw/zinc/74/91/12/362749112.db2.gz ZAMCDJGMFIPRLY-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP CCC[C@@H](CN=c1[nH+]c(N(C)C)[nH]s1)[NH+](C)C ZINC000584901422 355956157 /nfs/dbraw/zinc/95/61/57/355956157.db2.gz KDJFWVWGZKRZFJ-VIFPVBQESA-N 2 2 257.407 1.168 50 0 CDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3=CCCC3)C2)CC1 ZINC000011879569 356281851 /nfs/dbraw/zinc/28/18/51/356281851.db2.gz KYFBWJBHQPPZPO-OAHLLOKOSA-N 2 2 291.439 1.772 50 0 CDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3=CCCC3)C2)CC1 ZINC000011879569 356281855 /nfs/dbraw/zinc/28/18/55/356281855.db2.gz KYFBWJBHQPPZPO-OAHLLOKOSA-N 2 2 291.439 1.772 50 0 CDAALP CCc1c[nH+]c(C)nc1NCCC[NH+]1CCOCC1 ZINC000065366194 357532485 /nfs/dbraw/zinc/53/24/85/357532485.db2.gz QRIKOGGSEBOHEB-UHFFFAOYSA-N 2 2 264.373 1.482 50 0 CDAALP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000000248228 359399333 /nfs/dbraw/zinc/39/93/33/359399333.db2.gz DHNVWVJYVSKEOI-GFCCVEGCSA-N 2 2 254.374 1.356 50 0 CDAALP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000000248228 359399337 /nfs/dbraw/zinc/39/93/37/359399337.db2.gz DHNVWVJYVSKEOI-GFCCVEGCSA-N 2 2 254.374 1.356 50 0 CDAALP CCCCc1[nH]c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c[nH+]1 ZINC000426720052 360698576 /nfs/dbraw/zinc/69/85/76/360698576.db2.gz ZNDYKPSLQBIUAZ-OAHLLOKOSA-N 2 2 291.443 1.232 50 0 CDAALP CCCCc1[nH]cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000426720052 360698579 /nfs/dbraw/zinc/69/85/79/360698579.db2.gz ZNDYKPSLQBIUAZ-OAHLLOKOSA-N 2 2 291.443 1.232 50 0 CDAALP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)S(C)(=O)=O ZINC000089761794 366929642 /nfs/dbraw/zinc/92/96/42/366929642.db2.gz FQGPDSPFHMPETQ-UHFFFAOYSA-N 2 2 274.430 1.026 50 0 CDAALP C[C@H]1CN(CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000253398498 373685760 /nfs/dbraw/zinc/68/57/60/373685760.db2.gz UKHJZGFHMQZQAB-GJZGRUSLSA-N 2 2 292.427 1.320 50 0 CDAALP C[C@H]1CN(CC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000253398498 373685769 /nfs/dbraw/zinc/68/57/69/373685769.db2.gz UKHJZGFHMQZQAB-GJZGRUSLSA-N 2 2 292.427 1.320 50 0 CDAALP C[N@H+](CCn1cc[nH+]c1)Cc1noc2c1CCCC2 ZINC000019536148 374748364 /nfs/dbraw/zinc/74/83/64/374748364.db2.gz BLLURIVMNXRBQN-UHFFFAOYSA-N 2 2 260.341 1.882 50 0 CDAALP C[N@@H+](CCn1cc[nH+]c1)Cc1noc2c1CCCC2 ZINC000019536148 374748373 /nfs/dbraw/zinc/74/83/73/374748373.db2.gz BLLURIVMNXRBQN-UHFFFAOYSA-N 2 2 260.341 1.882 50 0 CDAALP [NH3+]C1CC[NH+](CCC(=O)c2ccc(Cl)nc2)CC1 ZINC000012647966 260063237 /nfs/dbraw/zinc/06/32/37/260063237.db2.gz HEPZQQJHMHCTRB-UHFFFAOYSA-N 2 2 267.760 1.731 50 0 CDAALP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000262758816 397750380 /nfs/dbraw/zinc/75/03/80/397750380.db2.gz PVXXYQHDFPBGBJ-WCQYABFASA-N 2 2 272.352 1.676 50 0 CDAALP CC[NH+](CC)CC1(NC(=O)C2(Cn3cc[nH+]c3)CC2)CC1 ZINC000823076025 925666903 /nfs/dbraw/zinc/66/69/03/925666903.db2.gz KYNGGRAMHGQLMH-UHFFFAOYSA-N 2 2 290.411 1.654 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cn2c(n1)SCC2 ZINC001506404908 975152116 /nfs/dbraw/zinc/15/21/16/975152116.db2.gz VYOWZGCUCFLLOJ-LLVKDONJSA-N 2 2 291.424 1.926 50 0 CDAALP c1cc(-n2nc([C@@H]3CCOC3)nc2C[NH+]2CCCC2)cc[nH+]1 ZINC000097657385 230386841 /nfs/dbraw/zinc/38/68/41/230386841.db2.gz MGXJDZIEWMKZPD-CYBMUJFWSA-N 2 2 299.378 1.762 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000097480393 185614220 /nfs/dbraw/zinc/61/42/20/185614220.db2.gz XAAFQBKDNDOPEW-AWEZNQCLSA-N 2 2 278.400 1.405 50 0 CDAALP Cc1nc(N(C)CCCC[NH+]2CCOCC2)c(C)c(C)[nH+]1 ZINC000091270520 180117652 /nfs/dbraw/zinc/11/76/52/180117652.db2.gz KCVZOZIFVYBNAY-UHFFFAOYSA-N 2 2 292.427 1.950 50 0 CDAALP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417075 283075468 /nfs/dbraw/zinc/07/54/68/283075468.db2.gz LENXEFFBRGIKCU-MGPQQGTHSA-N 2 2 270.417 1.188 50 0 CDAALP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417075 283075472 /nfs/dbraw/zinc/07/54/72/283075472.db2.gz LENXEFFBRGIKCU-MGPQQGTHSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417075 283075476 /nfs/dbraw/zinc/07/54/76/283075476.db2.gz LENXEFFBRGIKCU-MGPQQGTHSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417075 283075478 /nfs/dbraw/zinc/07/54/78/283075478.db2.gz LENXEFFBRGIKCU-MGPQQGTHSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014964288 356402250 /nfs/dbraw/zinc/40/22/50/356402250.db2.gz QDNOZEQSKRXOAZ-CQSZACIVSA-N 2 2 293.386 1.468 50 0 CDAALP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014964288 356402251 /nfs/dbraw/zinc/40/22/51/356402251.db2.gz QDNOZEQSKRXOAZ-CQSZACIVSA-N 2 2 293.386 1.468 50 0 CDAALP C[NH+]1CCN(c2cc(-c3ccccc3)[nH+]c(N)n2)CC1 ZINC000036139575 356862178 /nfs/dbraw/zinc/86/21/78/356862178.db2.gz NIJGWJIOMPHDBP-UHFFFAOYSA-N 2 2 269.352 1.478 50 0 in-vitro CDAALP COc1c(C)c[nH+]c(CNc2cc(C)[nH+]c(N)n2)c1C ZINC000050953384 357242300 /nfs/dbraw/zinc/24/23/00/357242300.db2.gz CVBJLTZSVDCUDM-UHFFFAOYSA-N 2 2 273.340 2.000 50 0 CDAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000107524703 357332559 /nfs/dbraw/zinc/33/25/59/357332559.db2.gz WVFMHTWNODRJPM-ZBFHGGJFSA-N 2 2 284.444 1.748 50 0 CDAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000107524703 357332562 /nfs/dbraw/zinc/33/25/62/357332562.db2.gz WVFMHTWNODRJPM-ZBFHGGJFSA-N 2 2 284.444 1.748 50 0 CDAALP CCc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000065429090 357541055 /nfs/dbraw/zinc/54/10/55/357541055.db2.gz LTRQZHGVORHGKJ-LBPRGKRZSA-N 2 2 293.415 1.238 50 0 CDAALP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000097095599 357953081 /nfs/dbraw/zinc/95/30/81/357953081.db2.gz PEVXQZZFTPZMHT-LLVKDONJSA-N 2 2 265.357 1.233 50 0 CDAALP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000097095599 357953086 /nfs/dbraw/zinc/95/30/86/357953086.db2.gz PEVXQZZFTPZMHT-LLVKDONJSA-N 2 2 265.357 1.233 50 0 CDAALP CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082125924 358148122 /nfs/dbraw/zinc/14/81/22/358148122.db2.gz KHNYCSZCONZUEX-MRXNPFEDSA-N 2 2 290.411 1.677 50 0 CDAALP CC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082125924 358148127 /nfs/dbraw/zinc/14/81/27/358148127.db2.gz KHNYCSZCONZUEX-MRXNPFEDSA-N 2 2 290.411 1.677 50 0 CDAALP CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082125924 358148128 /nfs/dbraw/zinc/14/81/28/358148128.db2.gz KHNYCSZCONZUEX-MRXNPFEDSA-N 2 2 290.411 1.677 50 0 CDAALP CC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082125924 358148134 /nfs/dbraw/zinc/14/81/34/358148134.db2.gz KHNYCSZCONZUEX-MRXNPFEDSA-N 2 2 290.411 1.677 50 0 CDAALP Cc1nn(C)cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000215203187 358878612 /nfs/dbraw/zinc/87/86/12/358878612.db2.gz MINBJBDRVOTXDK-CQSZACIVSA-N 2 2 264.417 1.891 50 0 CDAALP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000215203187 358878615 /nfs/dbraw/zinc/87/86/15/358878615.db2.gz MINBJBDRVOTXDK-CQSZACIVSA-N 2 2 264.417 1.891 50 0 CDAALP Cc1nn(C)cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000215203187 358878621 /nfs/dbraw/zinc/87/86/21/358878621.db2.gz MINBJBDRVOTXDK-CQSZACIVSA-N 2 2 264.417 1.891 50 0 CDAALP Cc1nn(C)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000215203187 358878626 /nfs/dbraw/zinc/87/86/26/358878626.db2.gz MINBJBDRVOTXDK-CQSZACIVSA-N 2 2 264.417 1.891 50 0 CDAALP [NH3+][C@@H](CC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000020274122 283547621 /nfs/dbraw/zinc/54/76/21/283547621.db2.gz QRSDCQDDHYLZGL-ZDUSSCGKSA-N 2 2 278.352 1.180 50 0 CDAALP CC[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000037977213 361528459 /nfs/dbraw/zinc/52/84/59/361528459.db2.gz KZHUESPKTDSPPB-UHFFFAOYSA-N 2 2 250.390 1.611 50 0 CDAALP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1)C2 ZINC000089920315 366969303 /nfs/dbraw/zinc/96/93/03/366969303.db2.gz RMMRYJGOFAFSJB-MRVWCRGKSA-N 2 2 276.380 1.681 50 0 CDAALP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1)C2 ZINC000089920315 366969305 /nfs/dbraw/zinc/96/93/05/366969305.db2.gz RMMRYJGOFAFSJB-MRVWCRGKSA-N 2 2 276.380 1.681 50 0 CDAALP CC[NH+](CC)CCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000191554572 279094888 /nfs/dbraw/zinc/09/48/88/279094888.db2.gz LERAWVWTUOZLNA-UHFFFAOYSA-N 2 2 270.417 1.600 50 0 CDAALP CC[NH+](CC)CCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000191554572 279094890 /nfs/dbraw/zinc/09/48/90/279094890.db2.gz LERAWVWTUOZLNA-UHFFFAOYSA-N 2 2 270.417 1.600 50 0 CDAALP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096484730 528373126 /nfs/dbraw/zinc/37/31/26/528373126.db2.gz OQPUCFZDIPNVQJ-MJBXVCDLSA-N 2 2 281.400 1.477 50 0 CDAALP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096484730 528373130 /nfs/dbraw/zinc/37/31/30/528373130.db2.gz OQPUCFZDIPNVQJ-MJBXVCDLSA-N 2 2 281.400 1.477 50 0 CDAALP CNc1ncccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000426622945 735167028 /nfs/dbraw/zinc/16/70/28/735167028.db2.gz MOKQUWPAWWWQOB-HNNXBMFYSA-N 2 2 260.385 1.699 50 0 CDAALP CNc1ncccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000426622945 735167033 /nfs/dbraw/zinc/16/70/33/735167033.db2.gz MOKQUWPAWWWQOB-HNNXBMFYSA-N 2 2 260.385 1.699 50 0 CDAALP 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Cc1cccc(NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)[nH+]1 ZINC000097203976 358191464 /nfs/dbraw/zinc/19/14/64/358191464.db2.gz PKOLPDFDTNTVDV-ZDUSSCGKSA-N 2 2 297.424 1.168 50 0 CDAALP CC(C)(C)OC(=O)C[N@H+](CC1CC1)C1CC([NH3+])C1 ZINC000097102798 358751148 /nfs/dbraw/zinc/75/11/48/358751148.db2.gz BGFJQEMDQHFIKB-UHFFFAOYSA-N 2 2 254.374 1.530 50 0 CDAALP CC(C)(C)OC(=O)C[N@@H+](CC1CC1)C1CC([NH3+])C1 ZINC000097102798 358751150 /nfs/dbraw/zinc/75/11/50/358751150.db2.gz BGFJQEMDQHFIKB-UHFFFAOYSA-N 2 2 254.374 1.530 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000244900247 358724995 /nfs/dbraw/zinc/72/49/95/358724995.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000244900247 358725002 /nfs/dbraw/zinc/72/50/02/358725002.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000244900247 358725007 /nfs/dbraw/zinc/72/50/07/358725007.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000244900247 358725014 /nfs/dbraw/zinc/72/50/14/358725014.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1nc(N(C)CCC[NH+](C)C)cc([C@@H]2CCOC2)[nH+]1 ZINC000426574910 360684238 /nfs/dbraw/zinc/68/42/38/360684238.db2.gz LYSFRDFDOWJENZ-CYBMUJFWSA-N 2 2 278.400 1.677 50 0 CDAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000299789535 372765259 /nfs/dbraw/zinc/76/52/59/372765259.db2.gz WWWGQYHCGBNGAY-CYBMUJFWSA-N 2 2 286.379 1.601 50 0 CDAALP CCOC(C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)OCC ZINC000253417103 373725581 /nfs/dbraw/zinc/72/55/81/373725581.db2.gz QBFKFYOKDYAHRC-QWHCGFSZSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)OCC ZINC000253417103 373725586 /nfs/dbraw/zinc/72/55/86/373725586.db2.gz QBFKFYOKDYAHRC-QWHCGFSZSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)OCC ZINC000253417103 373725592 /nfs/dbraw/zinc/72/55/92/373725592.db2.gz QBFKFYOKDYAHRC-QWHCGFSZSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)OCC ZINC000253417103 373725594 /nfs/dbraw/zinc/72/55/94/373725594.db2.gz QBFKFYOKDYAHRC-QWHCGFSZSA-N 2 2 256.390 1.412 50 0 CDAALP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3cnccc32)CCO1 ZINC000426535478 391567134 /nfs/dbraw/zinc/56/71/34/391567134.db2.gz LWJYAGPOVBBZHQ-CQSZACIVSA-N 2 2 257.337 1.394 50 0 CDAALP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCO1 ZINC000426535478 391567138 /nfs/dbraw/zinc/56/71/38/391567138.db2.gz LWJYAGPOVBBZHQ-CQSZACIVSA-N 2 2 257.337 1.394 50 0 CDAALP Oc1cccnc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656257561 413142100 /nfs/dbraw/zinc/14/21/00/413142100.db2.gz HSZHEXVUMUUMOL-CYBMUJFWSA-N 2 2 277.368 1.130 50 0 CDAALP CCCc1c[nH+]c(C)nc1N1CC[C@@H]([NH3+])[C@@H](OC)C1 ZINC000071639714 397907354 /nfs/dbraw/zinc/90/73/54/397907354.db2.gz JLFUHZYTFKRLPY-OLZOCXBDSA-N 2 2 264.373 1.290 50 0 CDAALP [NH3+]C1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000036754750 260156075 /nfs/dbraw/zinc/15/60/75/260156075.db2.gz KPXQGMAWTWFSIT-UHFFFAOYSA-N 2 2 253.390 1.249 50 0 CDAALP C[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H]1C[NH3+] ZINC000179223507 274289284 /nfs/dbraw/zinc/28/92/84/274289284.db2.gz MXNUFPGUPSUPEG-YPMHNXCESA-N 2 2 272.352 1.534 50 0 CDAALP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125566794 279907182 /nfs/dbraw/zinc/90/71/82/279907182.db2.gz VYBHJWFRLGLMNT-LBPRGKRZSA-N 2 2 270.336 1.306 50 0 CDAALP C[C@H](C[NH+]1CCCCC1)C(=O)NCc1ccc[nH+]c1N ZINC000534645985 328332392 /nfs/dbraw/zinc/33/23/92/328332392.db2.gz UFEIMASJUWXZHS-GFCCVEGCSA-N 2 2 276.384 1.402 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC[NH+]1CCC(CO)CC1 ZINC000534637018 328333975 /nfs/dbraw/zinc/33/39/75/328333975.db2.gz VEETUCGVBNQIJM-AWEZNQCLSA-N 3 2 294.443 1.128 50 0 CDAALP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12)NCc1cccs1 ZINC000534650569 328337123 /nfs/dbraw/zinc/33/71/23/328337123.db2.gz LOAMGPSXYFURFE-KPWCQOOUSA-N 2 2 291.420 1.047 50 0 CDAALP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12)NCc1cccs1 ZINC000534650569 328337124 /nfs/dbraw/zinc/33/71/24/328337124.db2.gz LOAMGPSXYFURFE-KPWCQOOUSA-N 2 2 291.420 1.047 50 0 CDAALP CN(Cc1[nH]cc[nH+]1)C(=O)NCCCC[NH+]1CCCC1 ZINC000534670852 328347253 /nfs/dbraw/zinc/34/72/53/328347253.db2.gz DJRAKIQLVFSPDY-UHFFFAOYSA-N 2 2 279.388 1.427 50 0 CDAALP CCc1c[nH+]c(N)nc1NCCn1c[nH+]c(C)c1C ZINC001772703945 1159439798 /nfs/dbraw/zinc/43/97/98/1159439798.db2.gz OGDNYWWXZUCDLW-UHFFFAOYSA-N 2 2 260.345 1.547 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426411541 743364541 /nfs/dbraw/zinc/36/45/41/743364541.db2.gz SGSNBQCRDIZVAH-CQSZACIVSA-N 3 2 276.428 1.910 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426411541 743364551 /nfs/dbraw/zinc/36/45/51/743364551.db2.gz SGSNBQCRDIZVAH-CQSZACIVSA-N 3 2 276.428 1.910 50 0 CDAALP CC(C)C[N@H+](C1CN(C(=O)C2CC2)C1)C1CC[NH+](C)CC1 ZINC000581799658 898359724 /nfs/dbraw/zinc/35/97/24/898359724.db2.gz FNKADIVRBIEIGN-UHFFFAOYSA-N 2 2 293.455 1.659 50 0 CDAALP CC(C)C[N@@H+](C1CN(C(=O)C2CC2)C1)C1CC[NH+](C)CC1 ZINC000581799658 898359727 /nfs/dbraw/zinc/35/97/27/898359727.db2.gz FNKADIVRBIEIGN-UHFFFAOYSA-N 2 2 293.455 1.659 50 0 CDAALP O=C1CC[C@H]([NH+]2CCC(Cn3cc[nH+]c3)CC2)CCN1 ZINC000828305665 926100485 /nfs/dbraw/zinc/10/04/85/926100485.db2.gz RXRDGARDZUUREH-AWEZNQCLSA-N 2 2 276.384 1.264 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039519259 282139911 /nfs/dbraw/zinc/13/99/11/282139911.db2.gz OOMQZIHZOAAPLD-OAHLLOKOSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039519259 282139913 /nfs/dbraw/zinc/13/99/13/282139913.db2.gz OOMQZIHZOAAPLD-OAHLLOKOSA-N 2 2 292.427 1.529 50 0 CDAALP C[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000032779864 356668294 /nfs/dbraw/zinc/66/82/94/356668294.db2.gz ZGWRJDHQWROGRR-UHFFFAOYSA-N 2 2 284.363 1.650 50 0 CDAALP C[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000032779864 356668297 /nfs/dbraw/zinc/66/82/97/356668297.db2.gz ZGWRJDHQWROGRR-UHFFFAOYSA-N 2 2 284.363 1.650 50 0 CDAALP CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000083882291 357109606 /nfs/dbraw/zinc/10/96/06/357109606.db2.gz AWQPKFIDAUCHCW-HNNXBMFYSA-N 2 2 298.390 1.910 50 0 CDAALP CNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065435475 357541511 /nfs/dbraw/zinc/54/15/11/357541511.db2.gz WPBRKXOJGJMCIB-CYBMUJFWSA-N 2 2 290.411 1.112 50 0 CDAALP CNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065435475 357541515 /nfs/dbraw/zinc/54/15/15/357541515.db2.gz WPBRKXOJGJMCIB-CYBMUJFWSA-N 2 2 290.411 1.112 50 0 CDAALP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067786942 357628098 /nfs/dbraw/zinc/62/80/98/357628098.db2.gz SCBOYIHTDFFGSC-ZDUSSCGKSA-N 2 2 284.363 1.728 50 0 CDAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000215452853 358890378 /nfs/dbraw/zinc/89/03/78/358890378.db2.gz PZSRQJOFORNUMT-GFCCVEGCSA-N 2 2 283.803 1.755 50 0 CDAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000215452853 358890382 /nfs/dbraw/zinc/89/03/82/358890382.db2.gz PZSRQJOFORNUMT-GFCCVEGCSA-N 2 2 283.803 1.755 50 0 CDAALP CCOC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000223924997 359471547 /nfs/dbraw/zinc/47/15/47/359471547.db2.gz HCJQLBLHHOMFSV-UHFFFAOYSA-N 2 2 291.399 1.269 50 0 CDAALP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1Cn1cncn1 ZINC000426478114 360565179 /nfs/dbraw/zinc/56/51/79/360565179.db2.gz NWGGGKMKLCQWKD-KRWDZBQOSA-N 2 2 299.422 1.866 50 0 CDAALP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])C2)cc1Cn1cncn1 ZINC000426478114 360565182 /nfs/dbraw/zinc/56/51/82/360565182.db2.gz NWGGGKMKLCQWKD-KRWDZBQOSA-N 2 2 299.422 1.866 50 0 CDAALP Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1[nH+]ccn1C(C)C ZINC000426535225 360682330 /nfs/dbraw/zinc/68/23/30/360682330.db2.gz SITBRBUYHBCUIR-NSHDSACASA-N 2 2 275.356 1.846 50 0 CDAALP Nc1cc(N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)[nH+]cn1 ZINC000426372115 360660231 /nfs/dbraw/zinc/66/02/31/360660231.db2.gz POVFHYTVHIMIFO-MRXNPFEDSA-N 2 2 287.411 1.761 50 0 CDAALP Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)[nH+]cn1 ZINC000426372115 360660234 /nfs/dbraw/zinc/66/02/34/360660234.db2.gz POVFHYTVHIMIFO-MRXNPFEDSA-N 2 2 287.411 1.761 50 0 CDAALP C[NH+](C)Cc1ccc(C(=O)NCCCc2[nH]cc[nH+]2)cc1 ZINC000141135099 361596498 /nfs/dbraw/zinc/59/64/98/361596498.db2.gz VEXLBSCWRYJSGV-UHFFFAOYSA-N 2 2 286.379 1.834 50 0 CDAALP c1cc(OC[C@H]2CCC[NH2+]C2)ccc1C[NH+]1CCOCC1 ZINC000299777231 372755570 /nfs/dbraw/zinc/75/55/70/372755570.db2.gz BKSSCABHNAATLV-INIZCTEOSA-N 2 2 290.407 1.897 50 0 CDAALP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000002638907 375281427 /nfs/dbraw/zinc/28/14/27/375281427.db2.gz TVNZOLPLPLJKFC-CQSZACIVSA-N 2 2 289.423 1.890 50 0 CDAALP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000002638907 375281433 /nfs/dbraw/zinc/28/14/33/375281433.db2.gz TVNZOLPLPLJKFC-CQSZACIVSA-N 2 2 289.423 1.890 50 0 CDAALP CC[N@@H+]1CCC[C@@H]([C@@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000106954638 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C[NH+]1CCC(OCCCn2cc[nH+]c2[C@@H]2CCOC2)CC1 ZINC000077420790 327132164 /nfs/dbraw/zinc/13/21/64/327132164.db2.gz OKEJRSQJMCUDOT-CQSZACIVSA-N 2 2 293.411 1.888 50 0 CDAALP CC[C@H](NC(=O)Cn1cc[nH+]c1C)c1[nH]cc(C)[nH+]1 ZINC000670437961 482979800 /nfs/dbraw/zinc/97/98/00/482979800.db2.gz PQBDLFVIGVHBNK-NSHDSACASA-N 2 2 261.329 1.491 50 0 CDAALP Cc1cc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c[nH+]c1C ZINC000670456088 483032115 /nfs/dbraw/zinc/03/21/15/483032115.db2.gz ZOISPLOVRAJCSQ-ZDUSSCGKSA-N 2 2 291.395 1.283 50 0 CDAALP CC(C)[NH2+]C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000097141817 567904954 /nfs/dbraw/zinc/90/49/54/567904954.db2.gz WHWBPOBTWPQBDS-JTQLQIEISA-N 2 2 254.296 1.372 50 0 CDAALP Nc1cc(-c2cc3c(c(F)c2)O[C@H](C[NH3+])C3)cc[nH+]1 ZINC000067789491 756830855 /nfs/dbraw/zinc/83/08/55/756830855.db2.gz OCKAPYWOAZXUPL-NSHDSACASA-N 2 2 259.284 1.732 50 0 CDAALP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1cccs1 ZINC000244601897 361853683 /nfs/dbraw/zinc/85/36/83/361853683.db2.gz DTWBGGGKCSOPLB-GFCCVEGCSA-N 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CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067946339 357639004 /nfs/dbraw/zinc/63/90/04/357639004.db2.gz LSSPMWYBFHRRED-MRXNPFEDSA-N 2 2 299.422 1.705 50 0 CDAALP CCn1cnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067946339 357639006 /nfs/dbraw/zinc/63/90/06/357639006.db2.gz LSSPMWYBFHRRED-MRXNPFEDSA-N 2 2 299.422 1.705 50 0 CDAALP CN(C)C(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200692 358188476 /nfs/dbraw/zinc/18/84/76/358188476.db2.gz YPRSIARTUYADAX-ZDUSSCGKSA-N 2 2 276.384 1.294 50 0 CDAALP CN(C)C(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200692 358188479 /nfs/dbraw/zinc/18/84/79/358188479.db2.gz YPRSIARTUYADAX-ZDUSSCGKSA-N 2 2 276.384 1.294 50 0 CDAALP CCC[C@H]1CN(c2[nH+]c3ccccc3n2CCO)C[C@@H]1[NH3+] ZINC000095360755 358685350 /nfs/dbraw/zinc/68/53/50/358685350.db2.gz JWFBHFKRZUCWNL-STQMWFEESA-N 2 2 288.395 1.592 50 0 CDAALP COCC[N@@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000089414541 359283750 /nfs/dbraw/zinc/28/37/50/359283750.db2.gz 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COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000282627807 375096459 /nfs/dbraw/zinc/09/64/59/375096459.db2.gz AQBSAJVZXLCSMP-OCCSQVGLSA-N 2 2 287.367 1.765 50 0 CDAALP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000282627810 375097555 /nfs/dbraw/zinc/09/75/55/375097555.db2.gz AQBSAJVZXLCSMP-TZMCWYRMSA-N 2 2 287.367 1.765 50 0 CDAALP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000282627810 375097557 /nfs/dbraw/zinc/09/75/57/375097557.db2.gz AQBSAJVZXLCSMP-TZMCWYRMSA-N 2 2 287.367 1.765 50 0 CDAALP CCc1ccc(C[N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)nc1 ZINC000072156309 390625375 /nfs/dbraw/zinc/62/53/75/390625375.db2.gz VGHUQYKTXZQCHA-HNNXBMFYSA-N 2 2 277.412 1.654 50 0 CDAALP CCc1ccc(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)nc1 ZINC000072156309 390625377 /nfs/dbraw/zinc/62/53/77/390625377.db2.gz VGHUQYKTXZQCHA-HNNXBMFYSA-N 2 2 277.412 1.654 50 0 CDAALP C[N@@H+]1CCc2ncnc(N3CCC[NH+]4CCC[C@@H]4C3)c2C1 ZINC000065539115 390942179 /nfs/dbraw/zinc/94/21/79/390942179.db2.gz 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277048569 /nfs/dbraw/zinc/04/85/69/277048569.db2.gz DSJQXTFZCMWRTL-QWRGUYRKSA-N 2 2 254.374 1.400 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000097081557 277048570 /nfs/dbraw/zinc/04/85/70/277048570.db2.gz DSJQXTFZCMWRTL-QWRGUYRKSA-N 2 2 254.374 1.400 50 0 CDAALP COCCn1cnnc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067974392 292739881 /nfs/dbraw/zinc/73/98/81/292739881.db2.gz QBKWGLQTAFZNLG-UHFFFAOYSA-N 2 2 295.431 1.323 50 0 CDAALP Cc1ccc(CC2([NH2+][C@@H](C)C[N@H+](C)CCO)CC2)cc1 ZINC000534659609 328342238 /nfs/dbraw/zinc/34/22/38/328342238.db2.gz QIPPXIDOQKFTKS-HNNXBMFYSA-N 2 2 276.424 1.972 50 0 CDAALP Cc1ccc(CC2([NH2+][C@@H](C)C[N@@H+](C)CCO)CC2)cc1 ZINC000534659609 328342239 /nfs/dbraw/zinc/34/22/39/328342239.db2.gz QIPPXIDOQKFTKS-HNNXBMFYSA-N 2 2 276.424 1.972 50 0 CDAALP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000178732492 536370085 /nfs/dbraw/zinc/37/00/85/536370085.db2.gz RXWJXZNFHZUSMX-LSDHHAIUSA-N 2 2 277.412 1.334 50 0 CDAALP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000178732492 536370086 /nfs/dbraw/zinc/37/00/86/536370086.db2.gz RXWJXZNFHZUSMX-LSDHHAIUSA-N 2 2 277.412 1.334 50 0 CDAALP Cc1cccc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)n1 ZINC000012449532 779165156 /nfs/dbraw/zinc/16/51/56/779165156.db2.gz CKMUVABIOHPQLY-OAHLLOKOSA-N 2 2 263.385 1.543 50 0 CDAALP Cc1cccc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)n1 ZINC000012449532 779165164 /nfs/dbraw/zinc/16/51/64/779165164.db2.gz CKMUVABIOHPQLY-OAHLLOKOSA-N 2 2 263.385 1.543 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cn2c(n1)SCC2 ZINC001506404912 975151882 /nfs/dbraw/zinc/15/18/82/975151882.db2.gz VYOWZGCUCFLLOJ-NSHDSACASA-N 2 2 291.424 1.926 50 0 CDAALP CCS(=O)(=O)C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000121067524 230394422 /nfs/dbraw/zinc/39/44/22/230394422.db2.gz IQCDTMJKXVMABC-LBPRGKRZSA-N 2 2 276.446 1.272 50 0 CDAALP C[NH2+]C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000244678648 361857096 /nfs/dbraw/zinc/85/70/96/361857096.db2.gz IHNGQYRMKWWXBO-CQSZACIVSA-N 3 2 250.390 1.513 50 0 CDAALP C[NH2+]C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000244678648 361857102 /nfs/dbraw/zinc/85/71/02/361857102.db2.gz IHNGQYRMKWWXBO-CQSZACIVSA-N 3 2 250.390 1.513 50 0 CDAALP O=C1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCN1 ZINC000584895293 349356073 /nfs/dbraw/zinc/35/60/73/349356073.db2.gz LNDWFAKCFGTPEE-CQSZACIVSA-N 2 2 284.363 1.631 50 0 CDAALP COC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091563548 180192884 /nfs/dbraw/zinc/19/28/84/180192884.db2.gz UCRYIURVCJVINW-UHFFFAOYSA-N 2 2 280.372 1.391 50 0 CDAALP CCOC(=O)C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067641961 357616654 /nfs/dbraw/zinc/61/66/54/357616654.db2.gz NXGBFTFIQJRNAG-GFCCVEGCSA-N 2 2 251.330 1.158 50 0 CDAALP CCOC(=O)C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067641961 357616656 /nfs/dbraw/zinc/61/66/56/357616656.db2.gz NXGBFTFIQJRNAG-GFCCVEGCSA-N 2 2 251.330 1.158 50 0 CDAALP O=C(CCC[NH+]1CCCCC1)NCCc1c[nH+]c[nH]1 ZINC000095360202 358684543 /nfs/dbraw/zinc/68/45/43/358684543.db2.gz SYPWDSFMIZZUPV-UHFFFAOYSA-N 2 2 264.373 1.335 50 0 CDAALP O=C(CCC[NH+]1CCCCC1)NCCc1c[nH]c[nH+]1 ZINC000095360202 358684545 /nfs/dbraw/zinc/68/45/45/358684545.db2.gz SYPWDSFMIZZUPV-UHFFFAOYSA-N 2 2 264.373 1.335 50 0 CDAALP Nc1nc(NCCc2cccnc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223556455 359434366 /nfs/dbraw/zinc/43/43/66/359434366.db2.gz FCZQXAYQKGXHGV-UHFFFAOYSA-N 2 2 284.367 1.313 50 0 CDAALP Cc1nc(NCCC[NH+]2CCOCC2)c2c([nH+]1)CCC2 ZINC000012016441 360502837 /nfs/dbraw/zinc/50/28/37/360502837.db2.gz DNRFTDKXQMHZKI-UHFFFAOYSA-N 2 2 276.384 1.408 50 0 CDAALP Cc1ccc2[nH+]c(CNC(=O)C[C@H]3CC[NH2+]C3)cn2c1 ZINC000299787353 372762436 /nfs/dbraw/zinc/76/24/36/372762436.db2.gz SXJUQPCSQFVOFG-GFCCVEGCSA-N 2 2 272.352 1.259 50 0 CDAALP CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1C ZINC000244707795 189910127 /nfs/dbraw/zinc/91/01/27/189910127.db2.gz KHRPQTPIPCWRGY-CYBMUJFWSA-N 2 2 293.415 1.272 50 0 CDAALP CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([NH3+])CC2)c1C ZINC000244707795 189910128 /nfs/dbraw/zinc/91/01/28/189910128.db2.gz KHRPQTPIPCWRGY-CYBMUJFWSA-N 2 2 293.415 1.272 50 0 CDAALP c1cn(-c2ccc(CN3C[C@@H]4CC[NH2+][C@@H]4C3)cc2)c[nH+]1 ZINC000097797309 285534270 /nfs/dbraw/zinc/53/42/70/285534270.db2.gz OZSJQORVJMXZMN-GOEBONIOSA-N 2 2 268.364 1.666 50 0 CDAALP Cn1cncc1C[N@@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072163576 176330308 /nfs/dbraw/zinc/33/03/08/176330308.db2.gz CCPWOIJBJCFJQB-ZDUSSCGKSA-N 2 2 250.390 1.726 50 0 CDAALP Cn1cncc1C[N@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072163576 176330310 /nfs/dbraw/zinc/33/03/10/176330310.db2.gz CCPWOIJBJCFJQB-ZDUSSCGKSA-N 2 2 250.390 1.726 50 0 CDAALP Cn1c[nH+]cc1CN1CCCC[C@H]1CC[NH+](C)C ZINC000072163576 176330311 /nfs/dbraw/zinc/33/03/11/176330311.db2.gz CCPWOIJBJCFJQB-ZDUSSCGKSA-N 2 2 250.390 1.726 50 0 CDAALP Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c(C)s1 ZINC000534646636 328330374 /nfs/dbraw/zinc/33/03/74/328330374.db2.gz ZTHXNEQWLLCMJE-WVKUQDAKSA-N 2 2 263.410 1.942 50 0 CDAALP Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c(C)s1 ZINC000534646636 328330375 /nfs/dbraw/zinc/33/03/75/328330375.db2.gz ZTHXNEQWLLCMJE-WVKUQDAKSA-N 2 2 263.410 1.942 50 0 CDAALP CC[C@H](CNC(=O)N(C)Cc1[nH]cc(C)[nH+]1)[N@H+](C)CC ZINC000534653352 328338529 /nfs/dbraw/zinc/33/85/29/328338529.db2.gz ODFMKYUPXFPHSX-GFCCVEGCSA-N 2 2 281.404 1.590 50 0 CDAALP CC[C@H](CNC(=O)N(C)Cc1[nH]cc(C)[nH+]1)[N@@H+](C)CC ZINC000534653352 328338530 /nfs/dbraw/zinc/33/85/30/328338530.db2.gz ODFMKYUPXFPHSX-GFCCVEGCSA-N 2 2 281.404 1.590 50 0 CDAALP Cc1[nH+]c(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)n(C)c1C ZINC000670443514 482988478 /nfs/dbraw/zinc/98/84/78/482988478.db2.gz VOWLQVCGHDGYGH-GJZGRUSLSA-N 2 2 276.428 1.953 50 0 CDAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC)nc1 ZINC000952975547 615497680 /nfs/dbraw/zinc/49/76/80/615497680.db2.gz FKSHGLICJVCPRG-ZDUSSCGKSA-N 2 2 260.341 1.855 50 0 CDAALP CCC1=NO[C@H](C[N@H+](C)CCn2cc[nH+]c2C)C1 ZINC000252481437 900765538 /nfs/dbraw/zinc/76/55/38/900765538.db2.gz CMFCFUOFMSHOME-ZDUSSCGKSA-N 2 2 250.346 1.678 50 0 CDAALP CCC1=NO[C@H](C[N@@H+](C)CCn2cc[nH+]c2C)C1 ZINC000252481437 900765547 /nfs/dbraw/zinc/76/55/47/900765547.db2.gz CMFCFUOFMSHOME-ZDUSSCGKSA-N 2 2 250.346 1.678 50 0 CDAALP C[N@H+](CCc1[nH]cc[nH+]1)C[C@H]1COc2ccccc2O1 ZINC000823690354 925723308 /nfs/dbraw/zinc/72/33/08/925723308.db2.gz WHXQHLNCGHIYSM-LBPRGKRZSA-N 2 2 273.336 1.724 50 0 CDAALP C[N@@H+](CCc1[nH]cc[nH+]1)C[C@H]1COc2ccccc2O1 ZINC000823690354 925723313 /nfs/dbraw/zinc/72/33/13/925723313.db2.gz WHXQHLNCGHIYSM-LBPRGKRZSA-N 2 2 273.336 1.724 50 0 CDAALP C/C=C(\C)C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000015064324 935533467 /nfs/dbraw/zinc/53/34/67/935533467.db2.gz DPGQARWKGYRQOU-QJIMOZNHSA-N 2 2 279.428 1.627 50 0 CDAALP C/C=C(\C)C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000015064324 935533473 /nfs/dbraw/zinc/53/34/73/935533473.db2.gz DPGQARWKGYRQOU-QJIMOZNHSA-N 2 2 279.428 1.627 50 0 CDAALP CCC[C@@H](CNc1cc(OC(C)C)[nH+]c(N)n1)[NH+](C)C ZINC001529160169 968999142 /nfs/dbraw/zinc/99/91/42/968999142.db2.gz YRCWOCKYMIPPFA-NSHDSACASA-N 2 2 281.404 1.988 50 0 CDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000065463568 361906694 /nfs/dbraw/zinc/90/66/94/361906694.db2.gz ODBBIHYUFPAAHP-QWHCGFSZSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000065463568 361906701 /nfs/dbraw/zinc/90/67/01/361906701.db2.gz ODBBIHYUFPAAHP-QWHCGFSZSA-N 2 2 275.352 1.439 50 0 CDAALP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000037008425 363312599 /nfs/dbraw/zinc/31/25/99/363312599.db2.gz XADFFCKNTJWSCY-ZDUSSCGKSA-N 2 2 288.395 1.166 50 0 CDAALP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CC1 ZINC000097200668 358188376 /nfs/dbraw/zinc/18/83/76/358188376.db2.gz UYJIWDYWROWDJL-CYBMUJFWSA-N 2 2 288.395 1.484 50 0 CDAALP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CC1 ZINC000097200668 358188378 /nfs/dbraw/zinc/18/83/78/358188378.db2.gz UYJIWDYWROWDJL-CYBMUJFWSA-N 2 2 288.395 1.484 50 0 CDAALP C[NH+](C)CCCOc1cccc(C[NH+]2CC(O)C2)c1 ZINC000216179820 358930296 /nfs/dbraw/zinc/93/02/96/358930296.db2.gz QUGNOYMHYKGBOX-UHFFFAOYSA-N 2 2 264.369 1.194 50 0 CDAALP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000216340840 358938570 /nfs/dbraw/zinc/93/85/70/358938570.db2.gz NRXKZCOEMJLECG-MRXNPFEDSA-N 2 2 287.407 1.598 50 0 CDAALP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000216340840 358938574 /nfs/dbraw/zinc/93/85/74/358938574.db2.gz NRXKZCOEMJLECG-MRXNPFEDSA-N 2 2 287.407 1.598 50 0 CDAALP Nc1nc(NCCc2cscn2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000222304694 359332856 /nfs/dbraw/zinc/33/28/56/359332856.db2.gz XLMHKTWDHRHVEN-KYZUINATSA-N 2 2 290.396 1.375 50 0 CDAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000299789537 372764013 /nfs/dbraw/zinc/76/40/13/372764013.db2.gz WWWGQYHCGBNGAY-ZDUSSCGKSA-N 2 2 286.379 1.601 50 0 CDAALP Cc1cccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)[nH+]1 ZINC000253370990 373679072 /nfs/dbraw/zinc/67/90/72/373679072.db2.gz ZCNNQUNJOGHLHP-CABCVRRESA-N 2 2 275.396 1.816 50 0 CDAALP Cc1cccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)[nH+]1 ZINC000253370990 373679079 /nfs/dbraw/zinc/67/90/79/373679079.db2.gz ZCNNQUNJOGHLHP-CABCVRRESA-N 2 2 275.396 1.816 50 0 CDAALP Cc1cc(C)c2[nH]c(C[NH2+]C[C@@H]3CCC[NH2+]3)cc(=O)c2c1 ZINC000095379675 374895516 /nfs/dbraw/zinc/89/55/16/374895516.db2.gz JGXUZSLHSNUQET-ZDUSSCGKSA-N 2 2 285.391 1.987 50 0 CDAALP c1cncc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000077301855 177250805 /nfs/dbraw/zinc/25/08/05/177250805.db2.gz LEBOALCMFFTLIR-CQSZACIVSA-N 2 2 260.385 1.203 50 0 CDAALP C[N@@H+]1CCO[C@H]2CCN(c3cc[nH+]cc3Cl)C[C@@H]21 ZINC000285130105 277129897 /nfs/dbraw/zinc/12/98/97/277129897.db2.gz SANOBTUFOWEENW-STQMWFEESA-N 2 2 267.760 1.644 50 0 CDAALP C[N@H+]1CCO[C@H]2CCN(c3cc[nH+]cc3Cl)C[C@@H]21 ZINC000285130105 277129898 /nfs/dbraw/zinc/12/98/98/277129898.db2.gz SANOBTUFOWEENW-STQMWFEESA-N 2 2 267.760 1.644 50 0 CDAALP C[N@@H+]1CCc2ncnc(N3CC[NH+]4CCCC[C@H]4C3)c2C1 ZINC000247961192 277190058 /nfs/dbraw/zinc/19/00/58/277190058.db2.gz DTDKFVBPKPIUCS-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP C[N@H+]1CCc2ncnc(N3CC[NH+]4CCCC[C@H]4C3)c2C1 ZINC000247961192 277190060 /nfs/dbraw/zinc/19/00/60/277190060.db2.gz DTDKFVBPKPIUCS-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP C[NH+]1CCc2ncnc(N3CC[N@@H+]4CCCC[C@H]4C3)c2C1 ZINC000247961192 277190061 /nfs/dbraw/zinc/19/00/61/277190061.db2.gz DTDKFVBPKPIUCS-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP C[NH+]1CCc2ncnc(N3CC[N@H+]4CCCC[C@H]4C3)c2C1 ZINC000247961192 277190062 /nfs/dbraw/zinc/19/00/62/277190062.db2.gz DTDKFVBPKPIUCS-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP Cc1cc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c[nH+]c1C ZINC000670456087 483032590 /nfs/dbraw/zinc/03/25/90/483032590.db2.gz ZOISPLOVRAJCSQ-CYBMUJFWSA-N 2 2 291.395 1.283 50 0 CDAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2C)C1 ZINC001529100435 968981864 /nfs/dbraw/zinc/98/18/64/968981864.db2.gz SIRJRKSNJPBDNE-OAHLLOKOSA-N 2 2 277.412 1.790 50 0 CDAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2C)C1 ZINC001529100435 968981874 /nfs/dbraw/zinc/98/18/74/968981874.db2.gz SIRJRKSNJPBDNE-OAHLLOKOSA-N 2 2 277.412 1.790 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2C)C1 ZINC001529100435 968981881 /nfs/dbraw/zinc/98/18/81/968981881.db2.gz SIRJRKSNJPBDNE-OAHLLOKOSA-N 2 2 277.412 1.790 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2C)C1 ZINC001529100435 968981885 /nfs/dbraw/zinc/98/18/85/968981885.db2.gz SIRJRKSNJPBDNE-OAHLLOKOSA-N 2 2 277.412 1.790 50 0 CDAALP Fc1c[nH+]ccc1N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001506408481 975153103 /nfs/dbraw/zinc/15/31/03/975153103.db2.gz YIZMLFALKVTVHV-MRXNPFEDSA-N 2 2 290.386 1.437 50 0 CDAALP O=C1OC2(CN1Cc1[nH+]ccn1C1CC1)CC[NH2+]CC2 ZINC000095513286 185001976 /nfs/dbraw/zinc/00/19/76/185001976.db2.gz UYUDCMVHJIJHCP-UHFFFAOYSA-N 2 2 276.340 1.292 50 0 CDAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nnc(C)[nH]1 ZINC000244795073 361863777 /nfs/dbraw/zinc/86/37/77/361863777.db2.gz QYYUENLSUHZJIZ-GFCCVEGCSA-N 2 2 274.372 1.709 50 0 CDAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nnc(C)[nH]1 ZINC000244795073 361863778 /nfs/dbraw/zinc/86/37/78/361863778.db2.gz QYYUENLSUHZJIZ-GFCCVEGCSA-N 2 2 274.372 1.709 50 0 CDAALP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000129073084 362502508 /nfs/dbraw/zinc/50/25/08/362502508.db2.gz UKVHAJAPDKIUSB-HNNXBMFYSA-N 2 2 265.376 1.470 50 0 CDAALP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000129073084 362502511 /nfs/dbraw/zinc/50/25/11/362502511.db2.gz UKVHAJAPDKIUSB-HNNXBMFYSA-N 2 2 265.376 1.470 50 0 CDAALP CCOC(=O)C[NH+]1CCC(Cn2cc[nH+]c2C)CC1 ZINC000085436365 179062639 /nfs/dbraw/zinc/06/26/39/179062639.db2.gz UKVFCSICJJDIEI-UHFFFAOYSA-N 2 2 265.357 1.467 50 0 CDAALP C[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)OCO2 ZINC000090649280 180017826 /nfs/dbraw/zinc/01/78/26/180017826.db2.gz LIRPGXFIBQLNJG-JSGCOSHPSA-N 2 2 289.379 1.066 50 0 CDAALP C[C@@H]1C[N@H+](CCc2[nH+]ccn2C)CC[C@@]1(O)C1CCC1 ZINC000091848947 180271009 /nfs/dbraw/zinc/27/10/09/180271009.db2.gz UXJJKVRSZZLVOW-CJNGLKHVSA-N 2 2 277.412 1.836 50 0 CDAALP C[C@@H]1C[N@@H+](CCc2[nH+]ccn2C)CC[C@@]1(O)C1CCC1 ZINC000091848947 180271010 /nfs/dbraw/zinc/27/10/10/180271010.db2.gz UXJJKVRSZZLVOW-CJNGLKHVSA-N 2 2 277.412 1.836 50 0 CDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3=CCCC3)C2)CC1 ZINC000011879570 356281561 /nfs/dbraw/zinc/28/15/61/356281561.db2.gz KYFBWJBHQPPZPO-HNNXBMFYSA-N 2 2 291.439 1.772 50 0 CDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3=CCCC3)C2)CC1 ZINC000011879570 356281565 /nfs/dbraw/zinc/28/15/65/356281565.db2.gz KYFBWJBHQPPZPO-HNNXBMFYSA-N 2 2 291.439 1.772 50 0 CDAALP Cc1nc2c(C)cccn2c1C[NH+]1CCC([NH3+])CC1 ZINC000019237591 356477915 /nfs/dbraw/zinc/47/79/15/356477915.db2.gz YYAYFKAAHKSQMO-UHFFFAOYSA-N 2 2 258.369 1.874 50 0 CDAALP Cc1[nH+]c2c(C)cccn2c1CN1CCC([NH3+])CC1 ZINC000019237591 356477917 /nfs/dbraw/zinc/47/79/17/356477917.db2.gz YYAYFKAAHKSQMO-UHFFFAOYSA-N 2 2 258.369 1.874 50 0 CDAALP CCOC(=O)[C@H]1CCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC000000291706 356813150 /nfs/dbraw/zinc/81/31/50/356813150.db2.gz OCOMZDWEJWQZBX-CYBMUJFWSA-N 2 2 254.374 1.498 50 0 CDAALP CCOC(=O)[C@H]1CCCC[N@H+]1C1CC[NH+](C)CC1 ZINC000000291706 356813152 /nfs/dbraw/zinc/81/31/52/356813152.db2.gz OCOMZDWEJWQZBX-CYBMUJFWSA-N 2 2 254.374 1.498 50 0 CDAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(C(N)=O)c1)CCC2 ZINC000084257787 357120896 /nfs/dbraw/zinc/12/08/96/357120896.db2.gz FNGCBCBRIPVIDB-OAHLLOKOSA-N 2 2 298.390 1.958 50 0 CDAALP C[C@H](NC(=O)CC[NH2+]CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000065409564 357539375 /nfs/dbraw/zinc/53/93/75/357539375.db2.gz CLNVXBKOJFSYAF-ZDUSSCGKSA-N 2 2 286.379 1.809 50 0 CDAALP C[C@H](NC(=O)CC[NH2+]CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000065409564 357539376 /nfs/dbraw/zinc/53/93/76/357539376.db2.gz CLNVXBKOJFSYAF-ZDUSSCGKSA-N 2 2 286.379 1.809 50 0 CDAALP O=C(Nc1c[nH+]c2n1CCCC2)C1(Cn2cc[nH+]c2)CC1 ZINC000067805087 357628869 /nfs/dbraw/zinc/62/88/69/357628869.db2.gz KKTYRUPYDAPODO-UHFFFAOYSA-N 2 2 285.351 1.835 50 0 CDAALP Cc1cc(C[NH2+]C[C@]2(O)CCC[NH2+]C2)c(C(F)(F)F)o1 ZINC000072423589 357834091 /nfs/dbraw/zinc/83/40/91/357834091.db2.gz QJJWFJCMAXOYTD-LBPRGKRZSA-N 2 2 292.301 1.811 50 0 CDAALP c1n[nH]cc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000218816359 359066932 /nfs/dbraw/zinc/06/69/32/359066932.db2.gz GMJYYOBNKMJSCL-UHFFFAOYSA-N 2 2 262.401 1.903 50 0 CDAALP CC(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000409419648 360227172 /nfs/dbraw/zinc/22/71/72/360227172.db2.gz PIONNYDAEWRZRL-UHFFFAOYSA-N 2 2 267.417 1.269 50 0 CDAALP CC(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000409419648 360227180 /nfs/dbraw/zinc/22/71/80/360227180.db2.gz PIONNYDAEWRZRL-UHFFFAOYSA-N 2 2 267.417 1.269 50 0 CDAALP COc1cc(F)ccc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000426502873 360677858 /nfs/dbraw/zinc/67/78/58/360677858.db2.gz IXNASXWVZBPNBV-CYBMUJFWSA-N 2 2 268.332 1.384 50 0 CDAALP COc1cc(F)ccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000426502873 360677862 /nfs/dbraw/zinc/67/78/62/360677862.db2.gz IXNASXWVZBPNBV-CYBMUJFWSA-N 2 2 268.332 1.384 50 0 CDAALP Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1OCC[NH3+] ZINC000426653043 360693341 /nfs/dbraw/zinc/69/33/41/360693341.db2.gz XPIFSMGYDXTWIS-UHFFFAOYSA-N 2 2 288.351 1.028 50 0 CDAALP CCC1CC[NH+](CCNC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000426485741 360675429 /nfs/dbraw/zinc/67/54/29/360675429.db2.gz MRCVWQBULFKTJG-UHFFFAOYSA-N 2 2 293.415 1.673 50 0 CDAALP Cc1nc(CC[NH3+])cc(N(Cc2[nH+]ccn2C)C2CC2)n1 ZINC000067740582 377235693 /nfs/dbraw/zinc/23/56/93/377235693.db2.gz BJKSFXRMLMRAEU-UHFFFAOYSA-N 2 2 286.383 1.189 50 0 CDAALP COC(=O)CC1([NH2+]Cc2ccco2)CC[NH+](C)CC1 ZINC000089375167 377846624 /nfs/dbraw/zinc/84/66/24/377846624.db2.gz GPLZNOXIIIJPTL-UHFFFAOYSA-N 2 2 266.341 1.397 50 0 CDAALP CCc1[nH+]ccn1CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000215004893 262338684 /nfs/dbraw/zinc/33/86/84/262338684.db2.gz VWBXZXSHZHQHCT-UHFFFAOYSA-N 2 2 297.362 1.800 50 0 CDAALP CC[N@H+](C)[C@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000534586262 328315605 /nfs/dbraw/zinc/31/56/05/328315605.db2.gz JSTSCBCDPIRKPK-LLVKDONJSA-N 2 2 267.377 1.281 50 0 CDAALP CC[N@@H+](C)[C@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000534586262 328315606 /nfs/dbraw/zinc/31/56/06/328315606.db2.gz JSTSCBCDPIRKPK-LLVKDONJSA-N 2 2 267.377 1.281 50 0 CDAALP Cc1nccc(N2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC001704304243 1177681764 /nfs/dbraw/zinc/68/17/64/1177681764.db2.gz PPKNWYLCCMLTNJ-UHFFFAOYSA-N 2 2 275.400 1.001 50 0 CDAALP Cc1nccc(N2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC001704304243 1177681767 /nfs/dbraw/zinc/68/17/67/1177681767.db2.gz PPKNWYLCCMLTNJ-UHFFFAOYSA-N 2 2 275.400 1.001 50 0 CDAALP Cc1[nH+]ccn1CCCN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000243956735 937589100 /nfs/dbraw/zinc/58/91/00/937589100.db2.gz CCZLXCAKDBMDIK-HNNXBMFYSA-N 2 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CCCN(C)C[C@@H]1CCCC[N@H+]1C ZINC000243956735 937589102 /nfs/dbraw/zinc/58/91/02/937589102.db2.gz CCZLXCAKDBMDIK-HNNXBMFYSA-N 2 2 264.417 1.998 50 0 CDAALP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124594990 187145028 /nfs/dbraw/zinc/14/50/28/187145028.db2.gz DQEMJJVUSSPVBP-CYBMUJFWSA-N 2 2 284.363 1.365 50 0 CDAALP C[C@H]1C[NH2+]CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000126109908 187217730 /nfs/dbraw/zinc/21/77/30/187217730.db2.gz RBXUDEZZDNLDDJ-LBPRGKRZSA-N 2 2 270.336 1.306 50 0 CDAALP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H](C)[NH2+]1 ZINC000179152419 362253909 /nfs/dbraw/zinc/25/39/09/362253909.db2.gz RGJNPNFPNSKBBT-GHMZBOCLSA-N 2 2 258.325 1.157 50 0 CDAALP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000104719984 346550009 /nfs/dbraw/zinc/55/00/09/346550009.db2.gz LEJDIVVJKCPEIB-AWEZNQCLSA-N 2 2 277.368 1.391 50 0 CDAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000109352039 186249940 /nfs/dbraw/zinc/24/99/40/186249940.db2.gz JAJSBJFJRYNTJS-CQSZACIVSA-N 2 2 270.336 1.315 50 0 CDAALP CCn1cc[nH+]c1CN(C)c1nc(C)nc2c1C[NH2+]C2 ZINC000072165163 356639996 /nfs/dbraw/zinc/63/99/96/356639996.db2.gz TTXFALGJROMNMT-UHFFFAOYSA-N 2 2 272.356 1.241 50 0 CDAALP CC(=O)N1CCC([N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)CC1 ZINC000065501362 357545634 /nfs/dbraw/zinc/54/56/34/357545634.db2.gz CCXSCWZALNOZHB-OAHLLOKOSA-N 2 2 290.411 1.606 50 0 CDAALP CC(=O)N1CCC([N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)CC1 ZINC000065501362 357545639 /nfs/dbraw/zinc/54/56/39/357545639.db2.gz CCXSCWZALNOZHB-OAHLLOKOSA-N 2 2 290.411 1.606 50 0 CDAALP O[C@]1(C[NH2+]Cc2coc(-c3ccccc3)n2)CC[NH2+]C1 ZINC000072426235 357835057 /nfs/dbraw/zinc/83/50/57/357835057.db2.gz KUGYOZXVEXPTSF-OAHLLOKOSA-N 2 2 273.336 1.156 50 0 CDAALP Cc1cn2cc(C(=O)NCC3CC[NH2+]CC3)ccc2[nH+]1 ZINC000082083754 358146219 /nfs/dbraw/zinc/14/62/19/358146219.db2.gz WAQYMIUKYBLULG-UHFFFAOYSA-N 2 2 272.352 1.372 50 0 CDAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@H]1O ZINC000082125262 358147637 /nfs/dbraw/zinc/14/76/37/358147637.db2.gz AHTCGPUJPCGEGM-VXGBXAGGSA-N 2 2 292.276 1.738 50 0 CDAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@H]1O ZINC000082125262 358147641 /nfs/dbraw/zinc/14/76/41/358147641.db2.gz AHTCGPUJPCGEGM-VXGBXAGGSA-N 2 2 292.276 1.738 50 0 CDAALP CC(C)Nc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nc[nH+]1 ZINC000095384219 358690361 /nfs/dbraw/zinc/69/03/61/358690361.db2.gz LBKBVVAUXCMBMX-NEPJUHHUSA-N 2 2 261.373 1.470 50 0 CDAALP CCCn1cc[nH+]c1CNC(=O)[C@@H](C)n1cc[nH+]c1C ZINC000426589687 361070126 /nfs/dbraw/zinc/07/01/26/361070126.db2.gz AKOZMIAQTOYKNG-LLVKDONJSA-N 2 2 275.356 1.675 50 0 CDAALP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1CCOCC1 ZINC000019301155 374711589 /nfs/dbraw/zinc/71/15/89/374711589.db2.gz RSMNWFIMPCRLHR-UHFFFAOYSA-N 2 2 276.380 1.351 50 0 CDAALP CCn1nccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188414242 375778331 /nfs/dbraw/zinc/77/83/31/375778331.db2.gz DCTCVFFQUOVSLC-CYBMUJFWSA-N 2 2 259.357 1.764 50 0 CDAALP CCn1nccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188414242 375778336 /nfs/dbraw/zinc/77/83/36/375778336.db2.gz DCTCVFFQUOVSLC-CYBMUJFWSA-N 2 2 259.357 1.764 50 0 CDAALP COc1ccc[nH+]c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000528004013 391945862 /nfs/dbraw/zinc/94/58/62/391945862.db2.gz UPQFXJRHBKBLTK-CQSZACIVSA-N 2 2 291.395 1.639 50 0 CDAALP O[C@]1(C[NH2+]Cc2c(F)ccc(Cl)c2F)CCC[NH2+]C1 ZINC000072411711 176398990 /nfs/dbraw/zinc/39/89/90/176398990.db2.gz GOGXHTPYAMVKAC-CYBMUJFWSA-N 2 2 290.741 1.822 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077505879 177276255 /nfs/dbraw/zinc/27/62/55/177276255.db2.gz VYZKZZACHREVBV-OAHLLOKOSA-N 2 2 278.400 1.141 50 0 CDAALP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000040457334 277188169 /nfs/dbraw/zinc/18/81/69/277188169.db2.gz LCBUIDRWWNJXKR-CYBMUJFWSA-N 2 2 283.416 1.539 50 0 CDAALP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011704917 329289378 /nfs/dbraw/zinc/28/93/78/329289378.db2.gz JHCDNRYHGMNMLE-CYBMUJFWSA-N 2 2 267.417 1.317 50 0 CDAALP CC(C)C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011704917 329289380 /nfs/dbraw/zinc/28/93/80/329289380.db2.gz JHCDNRYHGMNMLE-CYBMUJFWSA-N 2 2 267.417 1.317 50 0 CDAALP C[C@@H]([NH2+]CCCNc1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC000888098459 617761202 /nfs/dbraw/zinc/76/12/02/617761202.db2.gz IZRWISSKDWSCMR-WBVHZDCISA-N 2 2 290.455 1.713 50 0 CDAALP C[C@@H]([NH2+]CCCNc1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000888098459 617761210 /nfs/dbraw/zinc/76/12/10/617761210.db2.gz IZRWISSKDWSCMR-WBVHZDCISA-N 2 2 290.455 1.713 50 0 CDAALP CCCCc1[nH]c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c[nH+]1 ZINC000822884285 925654510 /nfs/dbraw/zinc/65/45/10/925654510.db2.gz CGCIIGLFEBFSJP-BETUJISGSA-N 2 2 262.401 1.746 50 0 CDAALP CCCCc1[nH]c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c[nH+]1 ZINC000822884285 925654515 /nfs/dbraw/zinc/65/45/15/925654515.db2.gz CGCIIGLFEBFSJP-BETUJISGSA-N 2 2 262.401 1.746 50 0 CDAALP CC[NH+](CC)C[C@H]1CCC[N@H+](CC2OCCO2)C1 ZINC000097232342 342205283 /nfs/dbraw/zinc/20/52/83/342205283.db2.gz UPPSRCVYYADDGD-CYBMUJFWSA-N 2 2 256.390 1.413 50 0 CDAALP CC[NH+](CC)C[C@H]1CCC[N@@H+](CC2OCCO2)C1 ZINC000097232342 342205284 /nfs/dbraw/zinc/20/52/84/342205284.db2.gz UPPSRCVYYADDGD-CYBMUJFWSA-N 2 2 256.390 1.413 50 0 CDAALP Cc1[nH+]c2ccc(C)cn2c1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000585139740 342218259 /nfs/dbraw/zinc/21/82/59/342218259.db2.gz XEEBHVALJNZOEL-LBPRGKRZSA-N 2 2 272.352 1.889 50 0 CDAALP Cc1nc(NCC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000584888915 349347229 /nfs/dbraw/zinc/34/72/29/349347229.db2.gz WAEQHGBCQDIQCU-UHFFFAOYSA-N 2 2 260.385 1.741 50 0 CDAALP CCCn1ncc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)c1C ZINC000012706003 356318891 /nfs/dbraw/zinc/31/88/91/356318891.db2.gz VUAPWLMUBVPRTD-MRXNPFEDSA-N 2 2 294.443 1.754 50 0 CDAALP CCCn1ncc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)c1C ZINC000012706003 356318896 /nfs/dbraw/zinc/31/88/96/356318896.db2.gz VUAPWLMUBVPRTD-MRXNPFEDSA-N 2 2 294.443 1.754 50 0 CDAALP [NH3+]CC(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067788186 357627990 /nfs/dbraw/zinc/62/79/90/357627990.db2.gz VWWUCGJQYOFMSQ-UHFFFAOYSA-N 2 2 296.374 1.219 50 0 CDAALP Nc1nc(NCCc2ccccn2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223476484 359428650 /nfs/dbraw/zinc/42/86/50/359428650.db2.gz JETPTWHLVAFJOG-UHFFFAOYSA-N 2 2 284.367 1.313 50 0 CDAALP Cn1c[nH+]cc1CSc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000426387798 360662188 /nfs/dbraw/zinc/66/21/88/360662188.db2.gz CZCOCPMYCLAFRZ-SNVBAGLBSA-N 2 2 292.412 1.308 50 0 CDAALP Cc1cnccc1C[N@H+](C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072137032 176322414 /nfs/dbraw/zinc/32/24/14/176322414.db2.gz LTSCAEMLFIYODD-UHFFFAOYSA-N 2 2 271.368 1.322 50 0 CDAALP Cc1cnccc1C[N@@H+](C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072137032 176322415 /nfs/dbraw/zinc/32/24/15/176322415.db2.gz LTSCAEMLFIYODD-UHFFFAOYSA-N 2 2 271.368 1.322 50 0 CDAALP Cc1[nH+]c(CN2CCC[C@@](CO)(C[NH+](C)C)C2)n(C)c1C ZINC000952978604 797640375 /nfs/dbraw/zinc/64/03/75/797640375.db2.gz BHYDPZUOYGFHJQ-MRXNPFEDSA-N 2 2 294.443 1.173 50 0 CDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2scnc2c1 ZINC000952978386 910529500 /nfs/dbraw/zinc/52/95/00/910529500.db2.gz BWNNXDIBXZHJDN-JTQLQIEISA-N 2 2 287.348 1.528 50 0 CDAALP CC[C@H]1CN(c2nc(N)[nH+]c(C)c2Cl)CC[N@@H+]1C ZINC001506426291 975160795 /nfs/dbraw/zinc/16/07/95/975160795.db2.gz FPOQQYYYOVAMDC-VIFPVBQESA-N 2 2 269.780 1.551 50 0 CDAALP CC[C@H]1CN(c2nc(N)[nH+]c(C)c2Cl)CC[N@H+]1C ZINC001506426291 975160797 /nfs/dbraw/zinc/16/07/97/975160797.db2.gz FPOQQYYYOVAMDC-VIFPVBQESA-N 2 2 269.780 1.551 50 0 CDAALP C[NH+](C)C1CN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000096492838 230382963 /nfs/dbraw/zinc/38/29/63/230382963.db2.gz CXHRBNHMRBMMIY-UHFFFAOYSA-N 2 2 258.369 1.593 50 0 CDAALP Cc1noc([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000084286490 342260423 /nfs/dbraw/zinc/26/04/23/342260423.db2.gz CVUTVKYQGQIARJ-ONGXEEELSA-N 2 2 261.329 1.803 50 0 CDAALP C[C@H]([NH2+]Cc1ncnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910272 362336616 /nfs/dbraw/zinc/33/66/16/362336616.db2.gz SFFIBNBQIDFTLP-LBPRGKRZSA-N 2 2 282.351 1.852 50 0 CDAALP Cc1[nH+]ccn1CC(=O)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584900903 349363254 /nfs/dbraw/zinc/36/32/54/349363254.db2.gz MMVMHPPROOKXKL-UHFFFAOYSA-N 2 2 287.367 1.327 50 0 CDAALP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014964292 356402556 /nfs/dbraw/zinc/40/25/56/356402556.db2.gz QDNOZEQSKRXOAZ-AWEZNQCLSA-N 2 2 293.386 1.468 50 0 CDAALP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014964292 356402563 /nfs/dbraw/zinc/40/25/63/356402563.db2.gz QDNOZEQSKRXOAZ-AWEZNQCLSA-N 2 2 293.386 1.468 50 0 CDAALP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC000065371688 357531660 /nfs/dbraw/zinc/53/16/60/357531660.db2.gz IOOCAQQHMKSSBU-UHFFFAOYSA-N 2 2 271.368 1.825 50 0 CDAALP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC000065371688 357531662 /nfs/dbraw/zinc/53/16/62/357531662.db2.gz IOOCAQQHMKSSBU-UHFFFAOYSA-N 2 2 271.368 1.825 50 0 CDAALP C[C@@H](NC(=O)CC[NH2+]CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000065409565 357538869 /nfs/dbraw/zinc/53/88/69/357538869.db2.gz CLNVXBKOJFSYAF-CYBMUJFWSA-N 2 2 286.379 1.809 50 0 CDAALP C[C@@H](NC(=O)CC[NH2+]CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000065409565 357538874 /nfs/dbraw/zinc/53/88/74/357538874.db2.gz CLNVXBKOJFSYAF-CYBMUJFWSA-N 2 2 286.379 1.809 50 0 CDAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000215821674 358904557 /nfs/dbraw/zinc/90/45/57/358904557.db2.gz ISNRBUWKRNIGJD-UHFFFAOYSA-N 2 2 259.357 1.827 50 0 CDAALP COCc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OC ZINC000216113359 358926294 /nfs/dbraw/zinc/92/62/94/358926294.db2.gz NGKMNSOGIXYXFP-IYBDPMFKSA-N 2 2 290.407 1.835 50 0 CDAALP COCc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OC ZINC000216113359 358926296 /nfs/dbraw/zinc/92/62/96/358926296.db2.gz NGKMNSOGIXYXFP-IYBDPMFKSA-N 2 2 290.407 1.835 50 0 CDAALP COCc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OC ZINC000216113359 358926297 /nfs/dbraw/zinc/92/62/97/358926297.db2.gz NGKMNSOGIXYXFP-IYBDPMFKSA-N 2 2 290.407 1.835 50 0 CDAALP COCc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OC ZINC000216113359 358926298 /nfs/dbraw/zinc/92/62/98/358926298.db2.gz NGKMNSOGIXYXFP-IYBDPMFKSA-N 2 2 290.407 1.835 50 0 CDAALP CN(CC1CCOCC1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223317508 359415859 /nfs/dbraw/zinc/41/58/59/359415859.db2.gz OYIGHKQRCAXFLM-UHFFFAOYSA-N 2 2 291.399 1.126 50 0 CDAALP CCn1c(C[NH+]2CCC(F)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244900106 189915248 /nfs/dbraw/zinc/91/52/48/189915248.db2.gz ZWCYMDYDFPVLDA-KLPPZKSPSA-N 2 2 281.379 1.437 50 0 CDAALP O=C(C[NH+]1CCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000219280552 391053246 /nfs/dbraw/zinc/05/32/46/391053246.db2.gz HEJAFLOQDKZWQT-UHFFFAOYSA-N 2 2 284.363 1.584 50 0 CDAALP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246822288 392019951 /nfs/dbraw/zinc/01/99/51/392019951.db2.gz NUAGYNOMYKZNEN-GUTXKFCHSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246822288 392019960 /nfs/dbraw/zinc/01/99/60/392019960.db2.gz NUAGYNOMYKZNEN-GUTXKFCHSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246822288 392019968 /nfs/dbraw/zinc/01/99/68/392019968.db2.gz NUAGYNOMYKZNEN-GUTXKFCHSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246822288 392019974 /nfs/dbraw/zinc/01/99/74/392019974.db2.gz NUAGYNOMYKZNEN-GUTXKFCHSA-N 2 2 280.412 1.887 50 0 CDAALP c1ccc(COCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000077285117 177248801 /nfs/dbraw/zinc/24/88/01/177248801.db2.gz BFVSDUBVEZNXSY-JKSUJKDBSA-N 2 2 260.381 1.887 50 0 CDAALP c1ccc(COCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000077285117 177248802 /nfs/dbraw/zinc/24/88/02/177248802.db2.gz BFVSDUBVEZNXSY-JKSUJKDBSA-N 2 2 260.381 1.887 50 0 CDAALP CCc1c[nH+]c(N)nc1NCC(C)(C)[NH+]1CCCC1 ZINC001772701496 1159437725 /nfs/dbraw/zinc/43/77/25/1159437725.db2.gz QJYKSDYFGNWQCE-UHFFFAOYSA-N 2 2 263.389 1.908 50 0 CDAALP CCc1[nH+]ccn1CCNC(=O)CCCn1cc[nH+]c1 ZINC000244828572 811096228 /nfs/dbraw/zinc/09/62/28/811096228.db2.gz TYRLYNYHIRBYFC-UHFFFAOYSA-N 2 2 275.356 1.239 50 0 CDAALP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000193616537 812328160 /nfs/dbraw/zinc/32/81/60/812328160.db2.gz CQBJFBAQXHSYON-OKILXGFUSA-N 2 2 274.364 1.451 50 0 CDAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000193616537 812328169 /nfs/dbraw/zinc/32/81/69/812328169.db2.gz CQBJFBAQXHSYON-OKILXGFUSA-N 2 2 274.364 1.451 50 0 CDAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000193616537 812328179 /nfs/dbraw/zinc/32/81/79/812328179.db2.gz CQBJFBAQXHSYON-OKILXGFUSA-N 2 2 274.364 1.451 50 0 CDAALP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000193616537 812328184 /nfs/dbraw/zinc/32/81/84/812328184.db2.gz CQBJFBAQXHSYON-OKILXGFUSA-N 2 2 274.364 1.451 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC001506397405 908903843 /nfs/dbraw/zinc/90/38/43/908903843.db2.gz UXQQBRDMODMDGE-AWEZNQCLSA-N 2 2 264.417 1.860 50 0 CDAALP CCC(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799756 927198662 /nfs/dbraw/zinc/19/86/62/927198662.db2.gz VJWMEUKZZNNPLM-UHFFFAOYSA-N 2 2 281.444 1.659 50 0 CDAALP CCC(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799756 927198670 /nfs/dbraw/zinc/19/86/70/927198670.db2.gz VJWMEUKZZNNPLM-UHFFFAOYSA-N 2 2 281.444 1.659 50 0 CDAALP c1cn(CCN2CC[NH+](CC3CCCC3)CC2)c[nH+]1 ZINC001506429618 975161823 /nfs/dbraw/zinc/16/18/23/975161823.db2.gz SEBORQRTOCVHSJ-UHFFFAOYSA-N 2 2 262.401 1.691 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C(=O)N1CCCC1 ZINC000240128278 361746890 /nfs/dbraw/zinc/74/68/90/361746890.db2.gz IPIDKCQAOMETNL-LBPRGKRZSA-N 2 2 264.373 1.134 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C(=O)N1CCCC1 ZINC000240128278 361746898 /nfs/dbraw/zinc/74/68/98/361746898.db2.gz IPIDKCQAOMETNL-LBPRGKRZSA-N 2 2 264.373 1.134 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000584896031 349357512 /nfs/dbraw/zinc/35/75/12/349357512.db2.gz LGFMOHMSYUYQEX-LBPRGKRZSA-N 3 2 261.373 1.629 50 0 CDAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1CO ZINC000091847797 180270885 /nfs/dbraw/zinc/27/08/85/180270885.db2.gz JGJDXVGTASJHEO-HUUCEWRRSA-N 2 2 263.385 1.074 50 0 CDAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1CO ZINC000091847797 180270886 /nfs/dbraw/zinc/27/08/86/180270886.db2.gz JGJDXVGTASJHEO-HUUCEWRRSA-N 2 2 263.385 1.074 50 0 CDAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1CO ZINC000091847797 180270888 /nfs/dbraw/zinc/27/08/88/180270888.db2.gz JGJDXVGTASJHEO-HUUCEWRRSA-N 2 2 263.385 1.074 50 0 CDAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1CO ZINC000091847797 180270889 /nfs/dbraw/zinc/27/08/89/180270889.db2.gz JGJDXVGTASJHEO-HUUCEWRRSA-N 2 2 263.385 1.074 50 0 CDAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cccc(O)c2)C[C@@H]1CO ZINC000091932145 180288651 /nfs/dbraw/zinc/28/86/51/180288651.db2.gz AHTAXZNQESSPLE-HUUCEWRRSA-N 2 2 278.396 1.384 50 0 CDAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccc(O)c2)C[C@@H]1CO ZINC000091932145 180288653 /nfs/dbraw/zinc/28/86/53/180288653.db2.gz AHTAXZNQESSPLE-HUUCEWRRSA-N 2 2 278.396 1.384 50 0 CDAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H]1CO ZINC000091932145 180288654 /nfs/dbraw/zinc/28/86/54/180288654.db2.gz AHTAXZNQESSPLE-HUUCEWRRSA-N 2 2 278.396 1.384 50 0 CDAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H]1CO ZINC000091932145 180288656 /nfs/dbraw/zinc/28/86/56/180288656.db2.gz AHTAXZNQESSPLE-HUUCEWRRSA-N 2 2 278.396 1.384 50 0 CDAALP C[NH+](C)[C@H]1CC[N@H+](Cc2ccncc2)C[C@H]1CCCO ZINC000092046704 180311222 /nfs/dbraw/zinc/31/12/22/180311222.db2.gz NEMRTAARJJGDFY-CVEARBPZSA-N 2 2 277.412 1.606 50 0 CDAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1CCCO ZINC000092046704 180311224 /nfs/dbraw/zinc/31/12/24/180311224.db2.gz NEMRTAARJJGDFY-CVEARBPZSA-N 2 2 277.412 1.606 50 0 CDAALP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCCC[NH2+]1 ZINC000583652121 366019318 /nfs/dbraw/zinc/01/93/18/366019318.db2.gz YXWSPNOUHGWRTJ-DGCLKSJQSA-N 2 2 272.352 1.595 50 0 CDAALP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000037008424 363311840 /nfs/dbraw/zinc/31/18/40/363311840.db2.gz XADFFCKNTJWSCY-CYBMUJFWSA-N 2 2 288.395 1.166 50 0 CDAALP [NH3+]C[C@H]1CC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000426382623 358508683 /nfs/dbraw/zinc/50/86/83/358508683.db2.gz IENRKQRBKYHRGW-LLVKDONJSA-N 2 2 258.321 1.574 50 0 CDAALP [NH3+]C[C@H]1CC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000426382623 358508684 /nfs/dbraw/zinc/50/86/84/358508684.db2.gz IENRKQRBKYHRGW-LLVKDONJSA-N 2 2 258.321 1.574 50 0 CDAALP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082119927 358147890 /nfs/dbraw/zinc/14/78/90/358147890.db2.gz AJTFYJNTEYBBMA-CYBMUJFWSA-N 2 2 278.400 1.468 50 0 CDAALP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082119927 358147892 /nfs/dbraw/zinc/14/78/92/358147892.db2.gz AJTFYJNTEYBBMA-CYBMUJFWSA-N 2 2 278.400 1.468 50 0 CDAALP CC(C)OCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219089204 359078992 /nfs/dbraw/zinc/07/89/92/359078992.db2.gz BDFRRISUPBNFLB-UHFFFAOYSA-N 2 2 265.361 1.100 50 0 CDAALP Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c[nH+]1 ZINC000262450056 359170992 /nfs/dbraw/zinc/17/09/92/359170992.db2.gz RDCZMMMSVGSZQK-JLLWLGSASA-N 2 2 260.341 1.523 50 0 CDAALP Cc1[nH+]ccn1[C@H](C)C(=O)NCc1[nH+]ccn1C(C)C ZINC000426535224 360681963 /nfs/dbraw/zinc/68/19/63/360681963.db2.gz SITBRBUYHBCUIR-LLVKDONJSA-N 2 2 275.356 1.846 50 0 CDAALP c1cnn(Cc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)cc2)c1 ZINC000426651972 360692141 /nfs/dbraw/zinc/69/21/41/360692141.db2.gz GJOULWHOEBBBRF-DLBZAZTESA-N 2 2 282.391 1.725 50 0 CDAALP c1cnn(Cc2ccc(C[N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)cc2)c1 ZINC000426651972 360692144 /nfs/dbraw/zinc/69/21/44/360692144.db2.gz GJOULWHOEBBBRF-DLBZAZTESA-N 2 2 282.391 1.725 50 0 CDAALP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000426690273 360696392 /nfs/dbraw/zinc/69/63/92/360696392.db2.gz JQVSACFNXJDIAK-ZDUSSCGKSA-N 2 2 291.399 1.151 50 0 CDAALP C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000426690273 360696396 /nfs/dbraw/zinc/69/63/96/360696396.db2.gz JQVSACFNXJDIAK-ZDUSSCGKSA-N 2 2 291.399 1.151 50 0 CDAALP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178990707 189159917 /nfs/dbraw/zinc/15/99/17/189159917.db2.gz MVXVLMXEUVIULR-ZDUSSCGKSA-N 2 2 284.363 1.554 50 0 CDAALP COC(=O)[C@@H]1CC12CC[NH+](CC[NH2+]C(C)C)CC2 ZINC000253420890 291305260 /nfs/dbraw/zinc/30/52/60/291305260.db2.gz NHCARJNKRPMLTI-LBPRGKRZSA-N 2 2 254.374 1.260 50 0 CDAALP C[N@@H+]1CCc2ncnc(N3CCC[NH+]4CCC[C@H]4C3)c2C1 ZINC000241144879 368874805 /nfs/dbraw/zinc/87/48/05/368874805.db2.gz JTWBHWTXNXWCQU-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP C[N@H+]1CCc2ncnc(N3CCC[NH+]4CCC[C@H]4C3)c2C1 ZINC000241144879 368874807 /nfs/dbraw/zinc/87/48/07/368874807.db2.gz JTWBHWTXNXWCQU-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP C[NH+]1CCc2ncnc(N3CCC[N@@H+]4CCC[C@H]4C3)c2C1 ZINC000241144879 368874810 /nfs/dbraw/zinc/87/48/10/368874810.db2.gz JTWBHWTXNXWCQU-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP C[NH+]1CCc2ncnc(N3CCC[N@H+]4CCC[C@H]4C3)c2C1 ZINC000241144879 368874813 /nfs/dbraw/zinc/87/48/13/368874813.db2.gz JTWBHWTXNXWCQU-ZDUSSCGKSA-N 2 2 287.411 1.139 50 0 CDAALP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCC[NH2+]CC3)cn2c1 ZINC000299785789 372761248 /nfs/dbraw/zinc/76/12/48/372761248.db2.gz NWJPAMYZANYOGZ-ZDUSSCGKSA-N 2 2 286.379 1.649 50 0 CDAALP C[NH+]1CCC([NH2+][C@H](Cn2cncn2)c2ccccc2)CC1 ZINC000095421765 374923468 /nfs/dbraw/zinc/92/34/68/374923468.db2.gz DTWWFMXQQBIZKU-MRXNPFEDSA-N 2 2 285.395 1.703 50 0 CDAALP Oc1cccnc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656257562 413141477 /nfs/dbraw/zinc/14/14/77/413141477.db2.gz HSZHEXVUMUUMOL-ZDUSSCGKSA-N 2 2 277.368 1.130 50 0 CDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3CCCC3)C2)CC1 ZINC000020201144 171065244 /nfs/dbraw/zinc/06/52/44/171065244.db2.gz FZZYTNFZHFRZGR-HNNXBMFYSA-N 2 2 293.455 1.851 50 0 CDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3CCCC3)C2)CC1 ZINC000020201144 171065246 /nfs/dbraw/zinc/06/52/46/171065246.db2.gz FZZYTNFZHFRZGR-HNNXBMFYSA-N 2 2 293.455 1.851 50 0 CDAALP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757672 424446818 /nfs/dbraw/zinc/44/68/18/424446818.db2.gz WRSPHRZEUDJINT-ZHAXYTGKSA-N 2 2 268.401 1.156 50 0 CDAALP c1coc(CN2CCC([NH2+]CCc3[nH]cc[nH+]3)CC2)c1 ZINC000534586252 328315570 /nfs/dbraw/zinc/31/55/70/328315570.db2.gz BQKZKMSJLALZLQ-UHFFFAOYSA-N 2 2 274.368 1.799 50 0 CDAALP c1coc(C[NH+]2CCC([NH2+]CCc3[nH]cc[nH+]3)CC2)c1 ZINC000534586252 328315572 /nfs/dbraw/zinc/31/55/72/328315572.db2.gz BQKZKMSJLALZLQ-UHFFFAOYSA-N 3 2 274.368 1.799 50 0 CDAALP Cn1cccc1[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000097103525 323207531 /nfs/dbraw/zinc/20/75/31/323207531.db2.gz BMDWMMFXBPXYGZ-HNNXBMFYSA-N 2 2 274.368 1.685 50 0 CDAALP Cn1cccc1[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000097103525 323207532 /nfs/dbraw/zinc/20/75/32/323207532.db2.gz BMDWMMFXBPXYGZ-HNNXBMFYSA-N 2 2 274.368 1.685 50 0 CDAALP Cc1cccc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000096491921 534636481 /nfs/dbraw/zinc/63/64/81/534636481.db2.gz TUCJRNLWFRIVQQ-UHFFFAOYSA-N 2 2 289.423 1.594 50 0 CDAALP OCc1cc(N2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000828837197 819336107 /nfs/dbraw/zinc/33/61/07/819336107.db2.gz AZUCQYFPKKSBRM-UHFFFAOYSA-N 2 2 284.363 1.291 50 0 CDAALP Cc1[nH+]c(N)nc(NC[C@H]2CCCC[N@H+]2C)c1Cl ZINC001506409037 975153128 /nfs/dbraw/zinc/15/31/28/975153128.db2.gz ODUFVUATBBXRCP-SECBINFHSA-N 2 2 269.780 1.917 50 0 CDAALP Cc1[nH+]c(N)nc(NC[C@H]2CCCC[N@@H+]2C)c1Cl ZINC001506409037 975153130 /nfs/dbraw/zinc/15/31/30/975153130.db2.gz ODUFVUATBBXRCP-SECBINFHSA-N 2 2 269.780 1.917 50 0 CDAALP c1cc(-n2nc([C@H]3CCOC3)nc2C[NH+]2CCCC2)cc[nH+]1 ZINC000097657386 230386761 /nfs/dbraw/zinc/38/67/61/230386761.db2.gz MGXJDZIEWMKZPD-ZDUSSCGKSA-N 2 2 299.378 1.762 50 0 CDAALP Cc1cnccc1C[NH+]1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000244701308 361856853 /nfs/dbraw/zinc/85/68/53/361856853.db2.gz KDXASKYJJJFPFS-KRWDZBQOSA-N 2 2 289.423 1.811 50 0 CDAALP Cc1cnccc1C[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000244701308 361856860 /nfs/dbraw/zinc/85/68/60/361856860.db2.gz KDXASKYJJJFPFS-KRWDZBQOSA-N 2 2 289.423 1.811 50 0 CDAALP Cc1cnccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000244701309 361856996 /nfs/dbraw/zinc/85/69/96/361856996.db2.gz KDXASKYJJJFPFS-QGZVFWFLSA-N 2 2 289.423 1.811 50 0 CDAALP Cc1cnccc1C[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000244701309 361857004 /nfs/dbraw/zinc/85/70/04/361857004.db2.gz KDXASKYJJJFPFS-QGZVFWFLSA-N 2 2 289.423 1.811 50 0 CDAALP CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)o1 ZINC000091326098 180135369 /nfs/dbraw/zinc/13/53/69/180135369.db2.gz MHYHPZOCXUCOEZ-CHWSQXEVSA-N 2 2 266.385 1.444 50 0 CDAALP CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)o1 ZINC000091326098 180135370 /nfs/dbraw/zinc/13/53/70/180135370.db2.gz MHYHPZOCXUCOEZ-CHWSQXEVSA-N 2 2 266.385 1.444 50 0 CDAALP CCCCc1[nH]c(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)c[nH+]1 ZINC000091468513 180164964 /nfs/dbraw/zinc/16/49/64/180164964.db2.gz KBKSMBYDUOLUPP-KGLIPLIRSA-N 2 2 262.401 1.921 50 0 CDAALP CCCCc1[nH]cc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)[nH+]1 ZINC000091468513 180164965 /nfs/dbraw/zinc/16/49/65/180164965.db2.gz KBKSMBYDUOLUPP-KGLIPLIRSA-N 2 2 262.401 1.921 50 0 CDAALP CC(C)[NH+](CCNC(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000271648324 191259490 /nfs/dbraw/zinc/25/94/90/191259490.db2.gz AQNJTRYLUQTMQX-UHFFFAOYSA-N 2 2 295.431 1.680 50 0 CDAALP Oc1ccc[n+](CCCCCC[n+]2cccc(O)c2)c1 ZINC000001559588 355939434 /nfs/dbraw/zinc/93/94/34/355939434.db2.gz NXOFTQYZEDJICH-UHFFFAOYSA-P 2 2 274.364 1.933 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cnn2c1nc(C)cc2C ZINC000215995069 358915179 /nfs/dbraw/zinc/91/51/79/358915179.db2.gz OWAJQAVMBXCAMB-UHFFFAOYSA-N 2 2 298.394 1.983 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cnn2c1nc(C)cc2C ZINC000215995069 358915183 /nfs/dbraw/zinc/91/51/83/358915183.db2.gz OWAJQAVMBXCAMB-UHFFFAOYSA-N 2 2 298.394 1.983 50 0 CDAALP Cc1n[nH]c(C)c1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000218904525 359070389 /nfs/dbraw/zinc/07/03/89/359070389.db2.gz CDPYUAZFHHGRIY-UHFFFAOYSA-N 2 2 287.371 1.216 50 0 CDAALP COCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000089410231 359265056 /nfs/dbraw/zinc/26/50/56/359265056.db2.gz LNQNPMDZJBRGRL-CQSZACIVSA-N 2 2 256.390 1.067 50 0 CDAALP COCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000089410231 359265059 /nfs/dbraw/zinc/26/50/59/359265059.db2.gz LNQNPMDZJBRGRL-CQSZACIVSA-N 2 2 256.390 1.067 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000089414545 359283636 /nfs/dbraw/zinc/28/36/36/359283636.db2.gz MGXNOBIZLZYUCP-CYBMUJFWSA-N 2 2 258.431 1.582 50 0 CDAALP COCC[N@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000089414545 359283637 /nfs/dbraw/zinc/28/36/37/359283637.db2.gz MGXNOBIZLZYUCP-CYBMUJFWSA-N 2 2 258.431 1.582 50 0 CDAALP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000240744093 376017119 /nfs/dbraw/zinc/01/71/19/376017119.db2.gz HULNCOUMAWUBCT-QWRGUYRKSA-N 2 2 265.323 1.307 50 0 CDAALP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000240744093 376017124 /nfs/dbraw/zinc/01/71/24/376017124.db2.gz HULNCOUMAWUBCT-QWRGUYRKSA-N 2 2 265.323 1.307 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000242284650 285029189 /nfs/dbraw/zinc/02/91/89/285029189.db2.gz YIOJOBYLYDHOJH-FPCVCCKLSA-N 2 2 296.455 1.890 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000242284650 285029190 /nfs/dbraw/zinc/02/91/90/285029190.db2.gz YIOJOBYLYDHOJH-FPCVCCKLSA-N 2 2 296.455 1.890 50 0 CDAALP COc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1OC ZINC000037248583 173061435 /nfs/dbraw/zinc/06/14/35/173061435.db2.gz NISVOOGEVWDWGL-UHFFFAOYSA-N 2 2 264.369 1.888 50 0 CDAALP C[N@H+](CC(=O)NCc1ccc[nH+]c1N)C1CCCC1 ZINC000534639979 328335432 /nfs/dbraw/zinc/33/54/32/328335432.db2.gz WGYZREDORVLOCJ-UHFFFAOYSA-N 2 2 262.357 1.154 50 0 CDAALP C[N@@H+](CC(=O)NCc1ccc[nH+]c1N)C1CCCC1 ZINC000534639979 328335433 /nfs/dbraw/zinc/33/54/33/328335433.db2.gz WGYZREDORVLOCJ-UHFFFAOYSA-N 2 2 262.357 1.154 50 0 CDAALP Cc1cccnc1[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000534647818 328343138 /nfs/dbraw/zinc/34/31/38/328343138.db2.gz HNHHGXMDIWNSLO-CYBMUJFWSA-N 2 2 290.411 1.251 50 0 CDAALP Cc1cccnc1[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000534647818 328343139 /nfs/dbraw/zinc/34/31/39/328343139.db2.gz HNHHGXMDIWNSLO-CYBMUJFWSA-N 2 2 290.411 1.251 50 0 CDAALP CCC[C@H](CNc1cc(OC(C)C)[nH+]c(N)n1)[NH+](C)C ZINC001529160167 968997091 /nfs/dbraw/zinc/99/70/91/968997091.db2.gz YRCWOCKYMIPPFA-LLVKDONJSA-N 2 2 281.404 1.988 50 0 CDAALP Cc1nncn1CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@](C)(C1)C2 ZINC001506419431 975157385 /nfs/dbraw/zinc/15/73/85/975157385.db2.gz PNBJICXMNFVJQJ-GASCZTMLSA-N 2 2 277.416 1.250 50 0 CDAALP Cc1nncn1CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@](C)(C1)C2 ZINC001506419431 975157390 /nfs/dbraw/zinc/15/73/90/975157390.db2.gz PNBJICXMNFVJQJ-GASCZTMLSA-N 2 2 277.416 1.250 50 0 CDAALP Cc1nncn1CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@](C)(C1)C2 ZINC001506419431 975157391 /nfs/dbraw/zinc/15/73/91/975157391.db2.gz PNBJICXMNFVJQJ-GASCZTMLSA-N 2 2 277.416 1.250 50 0 CDAALP Cc1nncn1CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@](C)(C1)C2 ZINC001506419431 975157392 /nfs/dbraw/zinc/15/73/92/975157392.db2.gz PNBJICXMNFVJQJ-GASCZTMLSA-N 2 2 277.416 1.250 50 0 CDAALP Cc1cccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000002630965 230367410 /nfs/dbraw/zinc/36/74/10/230367410.db2.gz JLUXMUOTISGGDF-OAHLLOKOSA-N 2 2 289.379 1.611 50 0 CDAALP CCc1cc(NC[C@H](C)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000272805128 529557442 /nfs/dbraw/zinc/55/74/42/529557442.db2.gz BHIIYXIIRXFWIM-LBPRGKRZSA-N 2 2 278.400 1.728 50 0 CDAALP C[N@@H+]1CC[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000252488619 362386734 /nfs/dbraw/zinc/38/67/34/362386734.db2.gz IVQLVIVGZQXYNI-AWEZNQCLSA-N 2 2 277.387 1.899 50 0 CDAALP C[N@H+]1CC[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000252488619 362386737 /nfs/dbraw/zinc/38/67/37/362386737.db2.gz IVQLVIVGZQXYNI-AWEZNQCLSA-N 2 2 277.387 1.899 50 0 CDAALP Cc1c[nH]c(CN(C)c2cc(C(C)C)[nH+]c(N)n2)[nH+]1 ZINC000091664207 180221052 /nfs/dbraw/zinc/22/10/52/180221052.db2.gz DWQVOVJAVGMKLN-UHFFFAOYSA-N 2 2 260.345 1.850 50 0 CDAALP C[NH+](C)CC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004003475 356014838 /nfs/dbraw/zinc/01/48/38/356014838.db2.gz SSJNGRWRVAYFMH-UHFFFAOYSA-N 2 2 273.380 1.949 50 0 CDAALP c1[nH]cc(CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)[nH+]1 ZINC000072458618 357836923 /nfs/dbraw/zinc/83/69/23/357836923.db2.gz YXHORHFYWALEFX-UHFFFAOYSA-N 2 2 298.394 1.420 50 0 CDAALP c1[nH]c(CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)c[nH+]1 ZINC000072458618 357836928 /nfs/dbraw/zinc/83/69/28/357836928.db2.gz YXHORHFYWALEFX-UHFFFAOYSA-N 2 2 298.394 1.420 50 0 CDAALP CN(CC1([NH+](C)C)CCC1)C(=O)NCCn1cc[nH+]c1 ZINC000187818815 372819760 /nfs/dbraw/zinc/81/97/60/372819760.db2.gz LLYBKBWVODTOED-UHFFFAOYSA-N 2 2 279.388 1.009 50 0 CDAALP C[C@H]1CN(CC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000253398507 373685837 /nfs/dbraw/zinc/68/58/37/373685837.db2.gz UKHJZGFHMQZQAB-LSDHHAIUSA-N 2 2 292.427 1.320 50 0 CDAALP C[C@H]1CN(CC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000253398507 373685846 /nfs/dbraw/zinc/68/58/46/373685846.db2.gz 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/nfs/dbraw/zinc/16/52/28/289165228.db2.gz JAPWWRPJNWOXFE-LBPRGKRZSA-N 2 2 271.405 1.537 50 0 CDAALP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2)CCO1 ZINC000534591374 328318346 /nfs/dbraw/zinc/31/83/46/328318346.db2.gz ZRWMUVGQOKYMNO-NSHDSACASA-N 2 2 289.301 1.650 50 0 CDAALP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)nc2)CCO1 ZINC000534591374 328318347 /nfs/dbraw/zinc/31/83/47/328318347.db2.gz ZRWMUVGQOKYMNO-NSHDSACASA-N 2 2 289.301 1.650 50 0 CDAALP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000534659530 328342219 /nfs/dbraw/zinc/34/22/19/328342219.db2.gz HOLHRQPAQGHXLL-LBPRGKRZSA-N 2 2 291.399 1.220 50 0 CDAALP C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000534659530 328342220 /nfs/dbraw/zinc/34/22/20/328342220.db2.gz HOLHRQPAQGHXLL-LBPRGKRZSA-N 2 2 291.399 1.220 50 0 CDAALP CCOc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC000670451386 483012686 /nfs/dbraw/zinc/01/26/86/483012686.db2.gz KAWLMUPVXPGFHE-UHFFFAOYSA-N 2 2 293.415 1.313 50 0 CDAALP C[N@@H+]1CCO[C@@H]2CCN(c3cc[nH+]cc3Cl)C[C@@H]21 ZINC000285130100 567905194 /nfs/dbraw/zinc/90/51/94/567905194.db2.gz SANOBTUFOWEENW-QWHCGFSZSA-N 2 2 267.760 1.644 50 0 CDAALP C[N@H+]1CCO[C@@H]2CCN(c3cc[nH+]cc3Cl)C[C@@H]21 ZINC000285130100 567905195 /nfs/dbraw/zinc/90/51/95/567905195.db2.gz SANOBTUFOWEENW-QWHCGFSZSA-N 2 2 267.760 1.644 50 0 CDAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC)nc1 ZINC000952975513 615751491 /nfs/dbraw/zinc/75/14/91/615751491.db2.gz FKSHGLICJVCPRG-CYBMUJFWSA-N 2 2 260.341 1.855 50 0 CDAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)[C@@H]1CC=CCC1 ZINC001704312299 1177684079 /nfs/dbraw/zinc/68/40/79/1177684079.db2.gz OYFNXQMOIAZFJQ-CQSZACIVSA-N 2 2 290.411 1.965 50 0 CDAALP CCCc1nc(N2CCOC[C@@H](C[NH+](C)C)C2)cc(C)[nH+]1 ZINC000072140046 829824641 /nfs/dbraw/zinc/82/46/41/829824641.db2.gz CMYRELXECXRAIA-AWEZNQCLSA-N 2 2 292.427 1.752 50 0 CDAALP Cn1ccnc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000051923385 936174880 /nfs/dbraw/zinc/17/48/80/936174880.db2.gz 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Cc1cncc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)c1 ZINC000097570967 358786128 /nfs/dbraw/zinc/78/61/28/358786128.db2.gz AQYIWJRGWDNTSB-UHFFFAOYSA-N 2 2 284.367 1.181 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000215305839 358882904 /nfs/dbraw/zinc/88/29/04/358882904.db2.gz OSXNOLGTCPJOIE-HNNXBMFYSA-N 2 2 298.390 1.849 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000215305839 358882910 /nfs/dbraw/zinc/88/29/10/358882910.db2.gz OSXNOLGTCPJOIE-HNNXBMFYSA-N 2 2 298.390 1.849 50 0 CDAALP Cc1noc(C)c1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219364148 359092549 /nfs/dbraw/zinc/09/25/49/359092549.db2.gz QBBSHJSPTBEMPX-UHFFFAOYSA-N 2 2 288.355 1.480 50 0 CDAALP [NH3+]C1CC(c2cc(NCCc3c[nH]c[nH+]3)nc(C3CC3)n2)C1 ZINC000222716790 359367889 /nfs/dbraw/zinc/36/78/89/359367889.db2.gz IFMKAJCSNYNRFR-UHFFFAOYSA-N 2 2 298.394 1.936 50 0 CDAALP [NH3+]C1CC(c2cc(NCCc3c[nH+]c[nH]3)nc(C3CC3)n2)C1 ZINC000222716790 359367898 /nfs/dbraw/zinc/36/78/98/359367898.db2.gz IFMKAJCSNYNRFR-UHFFFAOYSA-N 2 2 298.394 1.936 50 0 CDAALP [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178547331 189125884 /nfs/dbraw/zinc/12/58/84/189125884.db2.gz MLWYFTSHBBNXSJ-VFQAQYNWSA-N 2 2 296.374 1.693 50 0 CDAALP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000179220568 189178945 /nfs/dbraw/zinc/17/89/45/189178945.db2.gz RMRZSEOCIVCHFB-TZMCWYRMSA-N 2 2 299.378 1.467 50 0 CDAALP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000179220589 189179077 /nfs/dbraw/zinc/17/90/77/189179077.db2.gz RMRZSEOCIVCHFB-OCCSQVGLSA-N 2 2 299.378 1.467 50 0 CDAALP CCC[NH+]1CCC([NH+]2CCN(C(C)=O)CC2)CC1 ZINC000032509018 374522855 /nfs/dbraw/zinc/52/28/55/374522855.db2.gz OYKVLECUPBMSAV-UHFFFAOYSA-N 2 2 253.390 1.025 50 0 CDAALP Cc1ccc2[nH+]c(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)cn2c1 ZINC000095387135 374897771 /nfs/dbraw/zinc/89/77/71/374897771.db2.gz SFSXMACYCYNECO-CYBMUJFWSA-N 2 2 296.378 1.750 50 0 CDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000065478070 391072573 /nfs/dbraw/zinc/07/25/73/391072573.db2.gz KFKGIDAXZWPMBO-ZDUSSCGKSA-N 2 2 293.459 1.793 50 0 CDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000065478070 391072580 /nfs/dbraw/zinc/07/25/80/391072580.db2.gz KFKGIDAXZWPMBO-ZDUSSCGKSA-N 2 2 293.459 1.793 50 0 CDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](C)C1 ZINC000072436302 294152757 /nfs/dbraw/zinc/15/27/57/294152757.db2.gz SLHAOCNIJZVKKP-ZDUSSCGKSA-N 2 2 277.416 1.610 50 0 CDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072436302 294152761 /nfs/dbraw/zinc/15/27/61/294152761.db2.gz SLHAOCNIJZVKKP-ZDUSSCGKSA-N 2 2 277.416 1.610 50 0 CDAALP Cc1ccc(C2([NH2+][C@@H](C)C[N@H+](C)CCO)CC2)cc1 ZINC000534588338 328316433 /nfs/dbraw/zinc/31/64/33/328316433.db2.gz JWQSLEAMAYYIQZ-AWEZNQCLSA-N 2 2 262.397 1.886 50 0 CDAALP Cc1ccc(C2([NH2+][C@@H](C)C[N@@H+](C)CCO)CC2)cc1 ZINC000534588338 328316435 /nfs/dbraw/zinc/31/64/35/328316435.db2.gz JWQSLEAMAYYIQZ-AWEZNQCLSA-N 2 2 262.397 1.886 50 0 CDAALP Cc1[nH]c2c([nH+]1)CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000670462536 483050261 /nfs/dbraw/zinc/05/02/61/483050261.db2.gz HAZRWVGBIGZGPL-UHFFFAOYSA-N 3 2 259.357 1.671 50 0 CDAALP Cc1[nH]c2c([nH+]1)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000670462536 483050267 /nfs/dbraw/zinc/05/02/67/483050267.db2.gz HAZRWVGBIGZGPL-UHFFFAOYSA-N 3 2 259.357 1.671 50 0 CDAALP Cc1nc2c([nH]1)C[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000670462536 483050271 /nfs/dbraw/zinc/05/02/71/483050271.db2.gz HAZRWVGBIGZGPL-UHFFFAOYSA-N 2 2 259.357 1.671 50 0 CDAALP Cc1nc2c([nH]1)C[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000670462536 483050278 /nfs/dbraw/zinc/05/02/78/483050278.db2.gz HAZRWVGBIGZGPL-UHFFFAOYSA-N 2 2 259.357 1.671 50 0 CDAALP OC[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700516 1159437009 /nfs/dbraw/zinc/43/70/09/1159437009.db2.gz FXQWFGNVTUXTPC-SWLSCSKDSA-N 2 2 296.798 1.233 50 0 CDAALP OC[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700516 1159437012 /nfs/dbraw/zinc/43/70/12/1159437012.db2.gz FXQWFGNVTUXTPC-SWLSCSKDSA-N 2 2 296.798 1.233 50 0 CDAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000244695652 837278504 /nfs/dbraw/zinc/27/85/04/837278504.db2.gz JPVMULNGNBTVJK-ZDUSSCGKSA-N 2 2 264.373 1.046 50 0 CDAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000244695652 837278519 /nfs/dbraw/zinc/27/85/19/837278519.db2.gz JPVMULNGNBTVJK-ZDUSSCGKSA-N 2 2 264.373 1.046 50 0 CDAALP Cc1ncccc1C[N@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC001529191360 969009915 /nfs/dbraw/zinc/00/99/15/969009915.db2.gz XJAYMIQEUXRRMP-OAHLLOKOSA-N 2 2 277.412 1.526 50 0 CDAALP Cc1ncccc1C[N@@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC001529191360 969009923 /nfs/dbraw/zinc/00/99/23/969009923.db2.gz XJAYMIQEUXRRMP-OAHLLOKOSA-N 2 2 277.412 1.526 50 0 CDAALP Cc1ncccc1C[NH+](C)C[C@H]1CCC[N@H+](CCO)C1 ZINC001529191360 969009933 /nfs/dbraw/zinc/00/99/33/969009933.db2.gz XJAYMIQEUXRRMP-OAHLLOKOSA-N 2 2 277.412 1.526 50 0 CDAALP Cc1ncccc1C[NH+](C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC001529191360 969009942 /nfs/dbraw/zinc/00/99/42/969009942.db2.gz XJAYMIQEUXRRMP-OAHLLOKOSA-N 2 2 277.412 1.526 50 0 CDAALP Cn1cc[nH+]c1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC001506419399 975156888 /nfs/dbraw/zinc/15/68/88/975156888.db2.gz ZXSAZJSYJCMDMH-UHFFFAOYSA-N 2 2 298.434 1.823 50 0 CDAALP CC(C)NC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000252477639 361840124 /nfs/dbraw/zinc/84/01/24/361840124.db2.gz RVLZQKRZMPYGSR-HZSPNIEDSA-N 2 2 269.433 1.608 50 0 CDAALP CC(C)NC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000252477639 361840129 /nfs/dbraw/zinc/84/01/29/361840129.db2.gz RVLZQKRZMPYGSR-HZSPNIEDSA-N 2 2 269.433 1.608 50 0 CDAALP Cc1c[nH+]ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000097032425 185155571 /nfs/dbraw/zinc/15/55/71/185155571.db2.gz UGXKWOSAPOKVLH-UHFFFAOYSA-N 2 2 259.313 1.798 50 0 CDAALP CC(=O)c1c(C=C[NH+](C)C)n(O)c2ccccc2[n+]1=O ZINC000137346473 348750796 /nfs/dbraw/zinc/75/07/96/348750796.db2.gz CXVOFWGVIPJYGA-CMDGGOBGSA-N 2 2 274.300 1.528 50 0 CDAALP Cc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCn1cc[nH+]c1 ZINC000584886003 349343800 /nfs/dbraw/zinc/34/38/00/349343800.db2.gz WYKZTAQVAYLQHL-GFCCVEGCSA-N 2 2 275.356 1.498 50 0 CDAALP Cc1nonc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000584891043 349350488 /nfs/dbraw/zinc/35/04/88/349350488.db2.gz SHIPJLRKFZKKBZ-UHFFFAOYSA-N 2 2 252.362 1.777 50 0 CDAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc(F)cc2)C[C@@H]1CO ZINC000091620597 180208788 /nfs/dbraw/zinc/20/87/88/180208788.db2.gz UYFMXIKXTNPNIW-HUUCEWRRSA-N 2 2 280.387 1.818 50 0 CDAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc(F)cc2)C[C@@H]1CO ZINC000091620597 180208790 /nfs/dbraw/zinc/20/87/90/180208790.db2.gz UYFMXIKXTNPNIW-HUUCEWRRSA-N 2 2 280.387 1.818 50 0 CDAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1CO ZINC000091620597 180208793 /nfs/dbraw/zinc/20/87/93/180208793.db2.gz UYFMXIKXTNPNIW-HUUCEWRRSA-N 2 2 280.387 1.818 50 0 CDAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1CO ZINC000091620597 180208796 /nfs/dbraw/zinc/20/87/96/180208796.db2.gz UYFMXIKXTNPNIW-HUUCEWRRSA-N 2 2 280.387 1.818 50 0 CDAALP Nc1nc(NCCCn2cc[nH+]c2)c2c([nH+]1)CCCC2 ZINC000091643910 180214365 /nfs/dbraw/zinc/21/43/65/180214365.db2.gz ZBCQJFKPRKBJLZ-UHFFFAOYSA-N 2 2 272.356 1.636 50 0 CDAALP Cc1[nH+]c2ccccc2n1CC(=O)NCCCn1cc[nH+]c1 ZINC000004625587 356038200 /nfs/dbraw/zinc/03/82/00/356038200.db2.gz YZBVBJIMMQJGKS-UHFFFAOYSA-N 2 2 297.362 1.748 50 0 CDAALP C[C@H](NC(=O)C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000002638906 356091822 /nfs/dbraw/zinc/09/18/22/356091822.db2.gz TVNZOLPLPLJKFC-AWEZNQCLSA-N 2 2 289.423 1.890 50 0 CDAALP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000002638906 356091827 /nfs/dbraw/zinc/09/18/27/356091827.db2.gz TVNZOLPLPLJKFC-AWEZNQCLSA-N 2 2 289.423 1.890 50 0 CDAALP Cc1nnc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)[nH]1 ZINC000244858594 358724431 /nfs/dbraw/zinc/72/44/31/358724431.db2.gz VOBSXJJZTPALNA-AWEZNQCLSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1nnc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)[nH]1 ZINC000244858594 358724434 /nfs/dbraw/zinc/72/44/34/358724434.db2.gz VOBSXJJZTPALNA-AWEZNQCLSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1n[nH]c([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244858594 358724438 /nfs/dbraw/zinc/72/44/38/358724438.db2.gz VOBSXJJZTPALNA-AWEZNQCLSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1n[nH]c([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244858594 358724440 /nfs/dbraw/zinc/72/44/40/358724440.db2.gz VOBSXJJZTPALNA-AWEZNQCLSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1nc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000244858594 358724443 /nfs/dbraw/zinc/72/44/43/358724443.db2.gz VOBSXJJZTPALNA-AWEZNQCLSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1nc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000244858594 358724445 /nfs/dbraw/zinc/72/44/45/358724445.db2.gz VOBSXJJZTPALNA-AWEZNQCLSA-N 2 2 288.399 1.888 50 0 CDAALP CC(=O)c1cc(C[N@H+](C)CCn2cc[nH+]c2C)n(C)c1 ZINC000216214371 358932007 /nfs/dbraw/zinc/93/20/07/358932007.db2.gz FJQMKVKEBQSRGR-UHFFFAOYSA-N 2 2 274.368 1.865 50 0 CDAALP CC(=O)c1cc(C[N@@H+](C)CCn2cc[nH+]c2C)n(C)c1 ZINC000216214371 358932009 /nfs/dbraw/zinc/93/20/09/358932009.db2.gz FJQMKVKEBQSRGR-UHFFFAOYSA-N 2 2 274.368 1.865 50 0 CDAALP Cc1nc(N2CCC[NH2+]CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426531828 360681513 /nfs/dbraw/zinc/68/15/13/360681513.db2.gz ROZYFGQUVHMFDW-GFCCVEGCSA-N 2 2 262.357 1.089 50 0 CDAALP CC[NH+](CC)CCC[NH2+]CC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000021149442 171298629 /nfs/dbraw/zinc/29/86/29/171298629.db2.gz BKDYMPBZNFRLRW-AWEZNQCLSA-N 2 2 299.459 1.382 50 0 CDAALP Cc1cnccc1C[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072150620 176326739 /nfs/dbraw/zinc/32/67/39/176326739.db2.gz SDHQNYCXOUSYRX-UHFFFAOYSA-N 2 2 285.395 1.712 50 0 CDAALP Cc1cnccc1C[N@@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072150620 176326741 /nfs/dbraw/zinc/32/67/41/176326741.db2.gz SDHQNYCXOUSYRX-UHFFFAOYSA-N 2 2 285.395 1.712 50 0 CDAALP O=C(NCc1[nH]cc[nH+]1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072157630 176329595 /nfs/dbraw/zinc/32/95/95/176329595.db2.gz LSRDZABNYZTHPH-NSHDSACASA-N 2 2 270.336 1.417 50 0 CDAALP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@]1(O)CC[NH2+]C1 ZINC000077287789 177249371 /nfs/dbraw/zinc/24/93/71/177249371.db2.gz IRNXIMXMHGBMGD-INIZCTEOSA-N 2 2 286.379 1.233 50 0 CDAALP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@]1(O)CC[NH2+]C1 ZINC000077287789 177249373 /nfs/dbraw/zinc/24/93/73/177249373.db2.gz IRNXIMXMHGBMGD-INIZCTEOSA-N 2 2 286.379 1.233 50 0 CDAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000022029645 262343985 /nfs/dbraw/zinc/34/39/85/262343985.db2.gz IMTNEWYWNBRNEN-CVEARBPZSA-N 2 2 292.423 1.809 50 0 CDAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000022029645 262343986 /nfs/dbraw/zinc/34/39/86/262343986.db2.gz IMTNEWYWNBRNEN-CVEARBPZSA-N 2 2 292.423 1.809 50 0 CDAALP c1cn(CCC[N@@H+]2CCCN(c3ncccn3)CC2)c[nH+]1 ZINC000096493104 275072695 /nfs/dbraw/zinc/07/26/95/275072695.db2.gz VREQWJQYHBGYHV-UHFFFAOYSA-N 2 2 286.383 1.276 50 0 CDAALP c1cn(CCC[N@H+]2CCCN(c3ncccn3)CC2)c[nH+]1 ZINC000096493104 275072696 /nfs/dbraw/zinc/07/26/96/275072696.db2.gz VREQWJQYHBGYHV-UHFFFAOYSA-N 2 2 286.383 1.276 50 0 CDAALP Cc1cccnc1[C@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000534647819 328343050 /nfs/dbraw/zinc/34/30/50/328343050.db2.gz HNHHGXMDIWNSLO-ZDUSSCGKSA-N 2 2 290.411 1.251 50 0 CDAALP Cc1cccnc1[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000534647819 328343052 /nfs/dbraw/zinc/34/30/52/328343052.db2.gz HNHHGXMDIWNSLO-ZDUSSCGKSA-N 2 2 290.411 1.251 50 0 CDAALP CC[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289288897 535453655 /nfs/dbraw/zinc/45/36/55/535453655.db2.gz GZDGKVLWIOBIPU-HNNXBMFYSA-N 2 2 298.390 1.621 50 0 CDAALP CC(C)Oc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000091526523 180178663 /nfs/dbraw/zinc/17/86/63/180178663.db2.gz UQRHYKNBPVLNEG-MNOVXSKESA-N 2 2 277.372 1.020 50 0 CDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3ccco3)C2)CC1 ZINC000011842607 356281017 /nfs/dbraw/zinc/28/10/17/356281017.db2.gz MOPMUDJVYWNDED-ZDUSSCGKSA-N 2 2 291.395 1.568 50 0 CDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3ccco3)C2)CC1 ZINC000011842607 356281021 /nfs/dbraw/zinc/28/10/21/356281021.db2.gz MOPMUDJVYWNDED-ZDUSSCGKSA-N 2 2 291.395 1.568 50 0 CDAALP Cc1[nH]c(C[N@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c[nH+]1 ZINC000097610067 358787335 /nfs/dbraw/zinc/78/73/35/358787335.db2.gz IZPFAOLZAXVHMK-CYBMUJFWSA-N 2 2 290.411 1.941 50 0 CDAALP Cc1[nH]c(C[N@@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c[nH+]1 ZINC000097610067 358787336 /nfs/dbraw/zinc/78/73/36/358787336.db2.gz IZPFAOLZAXVHMK-CYBMUJFWSA-N 2 2 290.411 1.941 50 0 CDAALP [NH3+][C@H]1CCCCN(C(=O)CC2=CSC3=[NH+]CCCN23)C1 ZINC000102476173 358880009 /nfs/dbraw/zinc/88/00/09/358880009.db2.gz LVLANBREJUCKLV-NSHDSACASA-N 2 2 294.424 1.366 50 0 CDAALP CCn1c[nH+]cc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000426503745 360933745 /nfs/dbraw/zinc/93/37/45/360933745.db2.gz XBIRYRLEHKQNEW-UHFFFAOYSA-N 2 2 286.379 1.895 50 0 CDAALP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107515588 390904157 /nfs/dbraw/zinc/90/41/57/390904157.db2.gz ZCHUYHRRODXDLS-VNQPRFMTSA-N 2 2 278.396 1.419 50 0 CDAALP COC[C@H](O)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107515588 390904158 /nfs/dbraw/zinc/90/41/58/390904158.db2.gz ZCHUYHRRODXDLS-VNQPRFMTSA-N 2 2 278.396 1.419 50 0 CDAALP Nc1cc(-c2cccc3c2CC[NH2+]C3)[nH+]c(N2CCCC2)n1 ZINC000072150748 176326263 /nfs/dbraw/zinc/32/62/63/176326263.db2.gz YHCIUUFGJYOXRD-UHFFFAOYSA-N 2 2 295.390 1.972 50 0 CDAALP Nc1nc(NC2Cc3ccccc3C2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072407080 176397729 /nfs/dbraw/zinc/39/77/29/176397729.db2.gz HYUPEEXLQIGTLQ-UHFFFAOYSA-N 2 2 295.390 1.326 50 0 CDAALP C[C@H](C(=O)NCc1ccc[nH+]c1N)[N@H+](C)C1CCCCC1 ZINC000534652474 328338015 /nfs/dbraw/zinc/33/80/15/328338015.db2.gz ULSFBEMLLSLRIP-GFCCVEGCSA-N 2 2 290.411 1.933 50 0 CDAALP C[C@H](C(=O)NCc1ccc[nH+]c1N)[N@@H+](C)C1CCCCC1 ZINC000534652474 328338016 /nfs/dbraw/zinc/33/80/16/328338016.db2.gz ULSFBEMLLSLRIP-GFCCVEGCSA-N 2 2 290.411 1.933 50 0 CDAALP Cc1cccc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)[nH+]1 ZINC000097096644 567904313 /nfs/dbraw/zinc/90/43/13/567904313.db2.gz GIKQKFFUSJKIOT-ZDUSSCGKSA-N 2 2 259.357 1.838 50 0 CDAALP O[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1Cc1ccncc1 ZINC001704345241 1177697335 /nfs/dbraw/zinc/69/73/35/1177697335.db2.gz ULGBJBLBAXAFSQ-HZPDHXFCSA-N 2 2 286.379 1.204 50 0 CDAALP O[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1Cc1ccncc1 ZINC001704345241 1177697341 /nfs/dbraw/zinc/69/73/41/1177697341.db2.gz ULGBJBLBAXAFSQ-HZPDHXFCSA-N 2 2 286.379 1.204 50 0 CDAALP C(C[NH+]1CCOCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000095957550 185042480 /nfs/dbraw/zinc/04/24/80/185042480.db2.gz RQYKBTCSHNUFKO-UHFFFAOYSA-N 2 2 295.471 1.517 50 0 CDAALP Cc1[nH+]c(CN(C)C[C@@H]2CCCC[N@@H+]2C)n(C)c1C ZINC000584891858 349351076 /nfs/dbraw/zinc/35/10/76/349351076.db2.gz WKCDJQUETCEADX-AWEZNQCLSA-N 2 2 264.417 1.953 50 0 CDAALP Cc1[nH+]c(CN(C)C[C@@H]2CCCC[N@H+]2C)n(C)c1C ZINC000584891858 349351080 /nfs/dbraw/zinc/35/10/80/349351080.db2.gz WKCDJQUETCEADX-AWEZNQCLSA-N 2 2 264.417 1.953 50 0 CDAALP O=C(C[NH+]1CCCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000584898300 349359856 /nfs/dbraw/zinc/35/98/56/349359856.db2.gz DBIZULLNNSXRHI-INIZCTEOSA-N 2 2 298.390 1.836 50 0 CDAALP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088687421 366153414 /nfs/dbraw/zinc/15/34/14/366153414.db2.gz HULNCOUMAWUBCT-GHMZBOCLSA-N 2 2 265.323 1.307 50 0 CDAALP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088687421 366153415 /nfs/dbraw/zinc/15/34/15/366153415.db2.gz HULNCOUMAWUBCT-GHMZBOCLSA-N 2 2 265.323 1.307 50 0 CDAALP CCc1[nH+]c(C)ccc1OCC(=O)NCCC[NH+](C)C ZINC000002024793 355957939 /nfs/dbraw/zinc/95/79/39/355957939.db2.gz XICCHOGVPNYPFH-UHFFFAOYSA-N 2 2 279.384 1.399 50 0 CDAALP Cc1cnc(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cn1 ZINC000063856792 357517282 /nfs/dbraw/zinc/51/72/82/357517282.db2.gz PNSHZOGYSWKVPY-HZPDHXFCSA-N 2 2 290.411 1.254 50 0 CDAALP Cc1cnc(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cn1 ZINC000063856792 357517290 /nfs/dbraw/zinc/51/72/90/357517290.db2.gz PNSHZOGYSWKVPY-HZPDHXFCSA-N 2 2 290.411 1.254 50 0 CDAALP CN(C)c1ccc(-c2[nH+]ccn2CCC[NH+](C)C)cn1 ZINC000067803843 357629089 /nfs/dbraw/zinc/62/90/89/357629089.db2.gz GAAYLRGKAAJAOR-UHFFFAOYSA-N 2 2 273.384 1.963 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000067563276 357612454 /nfs/dbraw/zinc/61/24/54/357612454.db2.gz YLEUQNYPIMEHJU-ZDUSSCGKSA-N 2 2 282.351 1.642 50 0 CDAALP CCCn1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)n1 ZINC000072453863 357837002 /nfs/dbraw/zinc/83/70/02/357837002.db2.gz JYYAUFICKXZDBR-INIZCTEOSA-N 2 2 294.443 1.490 50 0 CDAALP CCCn1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)n1 ZINC000072453863 357837005 /nfs/dbraw/zinc/83/70/05/357837005.db2.gz JYYAUFICKXZDBR-INIZCTEOSA-N 2 2 294.443 1.490 50 0 CDAALP Cc1cccc(NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)[nH+]1 ZINC000097203979 358191570 /nfs/dbraw/zinc/19/15/70/358191570.db2.gz PKOLPDFDTNTVDV-CYBMUJFWSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1cccc(NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)[nH+]1 ZINC000097203979 358191571 /nfs/dbraw/zinc/19/15/71/358191571.db2.gz PKOLPDFDTNTVDV-CYBMUJFWSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1cccc(CCNc2cc(C3CC(O)C3)[nH+]c(N)n2)[nH+]1 ZINC000219294848 359086522 /nfs/dbraw/zinc/08/65/22/359086522.db2.gz NKXBVVJXBNNQLE-UHFFFAOYSA-N 2 2 299.378 1.655 50 0 CDAALP CN(Cc1cn2c([nH+]1)CCCC2)C[C@H]1CCC[NH2+]C1 ZINC000261966943 359591232 /nfs/dbraw/zinc/59/12/32/359591232.db2.gz PZBQJXUIEWJRLH-ZDUSSCGKSA-N 2 2 262.401 1.651 50 0 CDAALP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000248160859 360413887 /nfs/dbraw/zinc/41/38/87/360413887.db2.gz LGKZVCBBCHTRHM-KBPBESRZSA-N 2 2 290.411 1.579 50 0 CDAALP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000248160859 360413894 /nfs/dbraw/zinc/41/38/94/360413894.db2.gz LGKZVCBBCHTRHM-KBPBESRZSA-N 2 2 290.411 1.579 50 0 CDAALP Cc1cccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)[nH+]1 ZINC000108478932 412831163 /nfs/dbraw/zinc/83/11/63/412831163.db2.gz ZCNNQUNJOGHLHP-GJZGRUSLSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1cccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)[nH+]1 ZINC000108478932 412831167 /nfs/dbraw/zinc/83/11/67/412831167.db2.gz ZCNNQUNJOGHLHP-GJZGRUSLSA-N 2 2 275.396 1.816 50 0 CDAALP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)c[nH+]1 ZINC000291424849 390439159 /nfs/dbraw/zinc/43/91/59/390439159.db2.gz INAYNIKAUKAWSD-AWEZNQCLSA-N 2 2 282.351 1.590 50 0 CDAALP c1cn(C[C@@H]2CCC[N@H+]2Cc2cn3cccnc3n2)c[nH+]1 ZINC000291424849 390439160 /nfs/dbraw/zinc/43/91/60/390439160.db2.gz INAYNIKAUKAWSD-AWEZNQCLSA-N 2 2 282.351 1.590 50 0 CDAALP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000095968093 393156112 /nfs/dbraw/zinc/15/61/12/393156112.db2.gz PSRNQYBYGGQHTJ-QLFBSQMISA-N 2 2 293.455 1.896 50 0 CDAALP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000095968093 393156118 /nfs/dbraw/zinc/15/61/18/393156118.db2.gz PSRNQYBYGGQHTJ-QLFBSQMISA-N 2 2 293.455 1.896 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000359515353 158272799 /nfs/dbraw/zinc/27/27/99/158272799.db2.gz JCNSROIASINPSV-UHFFFAOYSA-N 2 2 272.352 1.710 50 0 CDAALP Cc1ccc2[nH+]c(CN3CCC[N@@H+](C)CC3)cn2c1 ZINC000020865928 171276926 /nfs/dbraw/zinc/27/69/26/171276926.db2.gz TZPIUEYOXZRTRH-UHFFFAOYSA-N 2 2 258.369 1.780 50 0 CDAALP Cc1ccc2[nH+]c(CN3CCC[N@H+](C)CC3)cn2c1 ZINC000020865928 171276927 /nfs/dbraw/zinc/27/69/27/171276927.db2.gz TZPIUEYOXZRTRH-UHFFFAOYSA-N 2 2 258.369 1.780 50 0 CDAALP Cc1[nH+]c(CN2CCOC[C@@H](C[NH+](C)C)C2)n(C)c1C ZINC000670441054 482985757 /nfs/dbraw/zinc/98/57/57/482985757.db2.gz IKSZUGMYKCTNJA-AWEZNQCLSA-N 2 2 280.416 1.047 50 0 CDAALP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000268515782 536357342 /nfs/dbraw/zinc/35/73/42/536357342.db2.gz DNHSGRFKWXJVEX-HNNXBMFYSA-N 2 2 289.427 1.473 50 0 CDAALP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000268515782 536357343 /nfs/dbraw/zinc/35/73/43/536357343.db2.gz DNHSGRFKWXJVEX-HNNXBMFYSA-N 2 2 289.427 1.473 50 0 CDAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000952868757 910417638 /nfs/dbraw/zinc/41/76/38/910417638.db2.gz ABRFIRSNJFGRJT-ZOBORPQBSA-N 3 2 262.401 1.353 50 0 CDAALP Cn1c[nH+]cc1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000242273786 361754593 /nfs/dbraw/zinc/75/45/93/361754593.db2.gz YFXXCOOWZOMLKB-UHFFFAOYSA-N 2 2 284.407 1.780 50 0 CDAALP Nc1nc(NCCNc2cccnc2)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244633152 361855400 /nfs/dbraw/zinc/85/54/00/361855400.db2.gz FXPGYJBEWJKQOB-XYPYZODXSA-N 2 2 299.382 1.183 50 0 CDAALP Nc1nc(NC[C@@H](O)c2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244883996 361867424 /nfs/dbraw/zinc/86/74/24/361867424.db2.gz YDGYCQXKSMCWAA-MBNYWOFBSA-N 2 2 299.378 1.409 50 0 CDAALP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000178491790 362243976 /nfs/dbraw/zinc/24/39/76/362243976.db2.gz QAXRTICNGDDIHD-LBPRGKRZSA-N 2 2 258.325 1.288 50 0 CDAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1CCO[C@H](C)C1 ZINC000192753357 362698592 /nfs/dbraw/zinc/69/85/92/362698592.db2.gz DIEPXTVZOYWYCS-ZBFHGGJFSA-N 2 2 292.427 1.377 50 0 CDAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000192753357 362698598 /nfs/dbraw/zinc/69/85/98/362698598.db2.gz DIEPXTVZOYWYCS-ZBFHGGJFSA-N 2 2 292.427 1.377 50 0 CDAALP CC[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000105320711 346621825 /nfs/dbraw/zinc/62/18/25/346621825.db2.gz QYWFNFNDUWGLCR-ZDUSSCGKSA-N 2 2 264.373 1.121 50 0 CDAALP CC[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000105320711 346621828 /nfs/dbraw/zinc/62/18/28/346621828.db2.gz QYWFNFNDUWGLCR-ZDUSSCGKSA-N 2 2 264.373 1.121 50 0 CDAALP COCCn1c[nH+]cc1CN1C[C@H]([NH+](C)C)[C@@H](C2CC2)C1 ZINC000091643647 180214004 /nfs/dbraw/zinc/21/40/04/180214004.db2.gz RPFBGTZFYPRNJA-CVEARBPZSA-N 2 2 292.427 1.302 50 0 CDAALP CCN(Cc1[nH+]ccn1C)C[C@@H]1CC[N@H+](CC)C1 ZINC000065404653 357538281 /nfs/dbraw/zinc/53/82/81/357538281.db2.gz MSNKTVJDMNCVSZ-CYBMUJFWSA-N 2 2 250.390 1.584 50 0 CDAALP CCN(Cc1[nH+]ccn1C)C[C@@H]1CC[N@@H+](CC)C1 ZINC000065404653 357538282 /nfs/dbraw/zinc/53/82/82/357538282.db2.gz MSNKTVJDMNCVSZ-CYBMUJFWSA-N 2 2 250.390 1.584 50 0 CDAALP CCN(Cc1[nH+]ccn1C)C[C@H]1CC[N@H+](CC)C1 ZINC000065404652 357538301 /nfs/dbraw/zinc/53/83/01/357538301.db2.gz MSNKTVJDMNCVSZ-ZDUSSCGKSA-N 2 2 250.390 1.584 50 0 CDAALP CCN(Cc1[nH+]ccn1C)C[C@H]1CC[N@@H+](CC)C1 ZINC000065404652 357538303 /nfs/dbraw/zinc/53/83/03/357538303.db2.gz MSNKTVJDMNCVSZ-ZDUSSCGKSA-N 2 2 250.390 1.584 50 0 CDAALP Cc1nc([C@@H]([NH3+])Cc2c[nH+]c[nH]2)n(-c2ccc(F)cc2)n1 ZINC000067472835 357610895 /nfs/dbraw/zinc/61/08/95/357610895.db2.gz PKCPGPAXKYRFPD-ZDUSSCGKSA-N 2 2 286.314 1.680 50 0 CDAALP Cc1nc([C@@H]([NH3+])Cc2c[nH]c[nH+]2)n(-c2ccc(F)cc2)n1 ZINC000067472835 357610898 /nfs/dbraw/zinc/61/08/98/357610898.db2.gz PKCPGPAXKYRFPD-ZDUSSCGKSA-N 2 2 286.314 1.680 50 0 CDAALP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000195573487 358566952 /nfs/dbraw/zinc/56/69/52/358566952.db2.gz QRZKSAWDQYQKOK-CYBMUJFWSA-N 2 2 272.352 1.957 50 0 CDAALP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000195573487 358566954 /nfs/dbraw/zinc/56/69/54/358566954.db2.gz QRZKSAWDQYQKOK-CYBMUJFWSA-N 2 2 272.352 1.957 50 0 CDAALP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)cc(=O)c2c1 ZINC000095371197 358687574 /nfs/dbraw/zinc/68/75/74/358687574.db2.gz NCOGKGKIWRWEOL-RYUDHWBXSA-N 2 2 289.354 1.626 50 0 CDAALP Cc1[nH]c(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c[nH+]1 ZINC000097610066 358787419 /nfs/dbraw/zinc/78/74/19/358787419.db2.gz IZPFAOLZAXVHMK-ZDUSSCGKSA-N 2 2 290.411 1.941 50 0 CDAALP Cc1[nH]c(C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c[nH+]1 ZINC000097610066 358787421 /nfs/dbraw/zinc/78/74/21/358787421.db2.gz IZPFAOLZAXVHMK-ZDUSSCGKSA-N 2 2 290.411 1.941 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)C1CC[NH+](C2CCCC2)CC1 ZINC000097696159 358793533 /nfs/dbraw/zinc/79/35/33/358793533.db2.gz NSTMASJMNSEVGX-UHFFFAOYSA-N 2 2 290.411 1.723 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](C2CCCC2)CC1 ZINC000097696159 358793535 /nfs/dbraw/zinc/79/35/35/358793535.db2.gz NSTMASJMNSEVGX-UHFFFAOYSA-N 2 2 290.411 1.723 50 0 CDAALP Cc1nc(N2CCC(C[NH3+])CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426492727 360573921 /nfs/dbraw/zinc/57/39/21/360573921.db2.gz AUBCELDWWRVJHR-CYBMUJFWSA-N 2 2 276.384 1.464 50 0 CDAALP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@@H+]1C ZINC000095421832 374923972 /nfs/dbraw/zinc/92/39/72/374923972.db2.gz XUILBISTRDRGNR-NEPJUHHUSA-N 2 2 271.405 1.583 50 0 CDAALP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@H+]1C ZINC000095421832 374923975 /nfs/dbraw/zinc/92/39/75/374923975.db2.gz XUILBISTRDRGNR-NEPJUHHUSA-N 2 2 271.405 1.583 50 0 CDAALP CC[N@@H+]1CCC[C@H]([C@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000071681690 276179242 /nfs/dbraw/zinc/17/92/42/276179242.db2.gz UZMGXJDDFLOXRZ-GXSJLCMTSA-N 2 2 266.414 1.644 50 0 CDAALP CC[N@H+]1CCC[C@H]([C@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000071681690 276179243 /nfs/dbraw/zinc/17/92/43/276179243.db2.gz UZMGXJDDFLOXRZ-GXSJLCMTSA-N 2 2 266.414 1.644 50 0 CDAALP Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000585092408 482828706 /nfs/dbraw/zinc/82/87/06/482828706.db2.gz VJRQKINAHPVSQX-MNOVXSKESA-N 2 2 274.372 1.504 50 0 CDAALP CC(C)C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000952980187 614112752 /nfs/dbraw/zinc/11/27/52/614112752.db2.gz WKYXUNCNRAYTNK-CYBMUJFWSA-N 2 2 266.385 1.839 50 0 CDAALP CC(C)C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000952980187 614112753 /nfs/dbraw/zinc/11/27/53/614112753.db2.gz WKYXUNCNRAYTNK-CYBMUJFWSA-N 2 2 266.385 1.839 50 0 CDAALP Cc1ccsc1CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000952975456 910524467 /nfs/dbraw/zinc/52/44/67/910524467.db2.gz RRWMBVRFXLOEPO-NSHDSACASA-N 2 2 278.381 1.308 50 0 CDAALP NC(=O)C[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000168655373 924689664 /nfs/dbraw/zinc/68/96/64/924689664.db2.gz GGWITWDIIPMUGY-UHFFFAOYSA-N 2 2 284.363 1.596 50 0 CDAALP C[C@@H](Cn1ccnc1)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000821495616 925587871 /nfs/dbraw/zinc/58/78/71/925587871.db2.gz OFJDXPXPQSLTFQ-ZDUSSCGKSA-N 2 2 259.357 1.538 50 0 CDAALP CC[N@@H+]1CCCC[C@H]1CNc1cc(OC)[nH+]c(N)n1 ZINC001529171934 969002960 /nfs/dbraw/zinc/00/29/60/969002960.db2.gz BAMGUNZWSMUNCA-JTQLQIEISA-N 2 2 265.361 1.354 50 0 CDAALP CC[N@H+]1CCCC[C@H]1CNc1cc(OC)[nH+]c(N)n1 ZINC001529171934 969002970 /nfs/dbraw/zinc/00/29/70/969002970.db2.gz BAMGUNZWSMUNCA-JTQLQIEISA-N 2 2 265.361 1.354 50 0 CDAALP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000097200651 342217065 /nfs/dbraw/zinc/21/70/65/342217065.db2.gz QBQYGQJINRHXCR-UPJWGTAASA-N 2 2 275.352 1.519 50 0 CDAALP C[C@@H]1C[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000097200651 342217066 /nfs/dbraw/zinc/21/70/66/342217066.db2.gz QBQYGQJINRHXCR-UPJWGTAASA-N 2 2 275.352 1.519 50 0 CDAALP Cc1nc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000195570830 282185893 /nfs/dbraw/zinc/18/58/93/282185893.db2.gz ZRASOMLHLUMZES-GUTXKFCHSA-N 2 2 290.411 1.863 50 0 CDAALP Cc1nc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000195570830 282185895 /nfs/dbraw/zinc/18/58/95/282185895.db2.gz ZRASOMLHLUMZES-GUTXKFCHSA-N 2 2 290.411 1.863 50 0 CDAALP CO[C@H](C[NH2+]CCc1cc[nH+]cc1C)C1CCOCC1 ZINC000585116602 362044531 /nfs/dbraw/zinc/04/45/31/362044531.db2.gz CHWQMXIPFQOYDZ-MRXNPFEDSA-N 2 2 278.396 1.964 50 0 CDAALP CC[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000105320708 346621672 /nfs/dbraw/zinc/62/16/72/346621672.db2.gz QYWFNFNDUWGLCR-CYBMUJFWSA-N 2 2 264.373 1.121 50 0 CDAALP CC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000105320708 346621674 /nfs/dbraw/zinc/62/16/74/346621674.db2.gz QYWFNFNDUWGLCR-CYBMUJFWSA-N 2 2 264.373 1.121 50 0 CDAALP [NH3+][C@@H]1CCC[N@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC000091575086 180197273 /nfs/dbraw/zinc/19/72/73/180197273.db2.gz HIUAFMDNFMLGEN-LLVKDONJSA-N 2 2 289.354 1.980 50 0 CDAALP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC000091575086 180197274 /nfs/dbraw/zinc/19/72/74/180197274.db2.gz HIUAFMDNFMLGEN-LLVKDONJSA-N 2 2 289.354 1.980 50 0 CDAALP CCN(C)c1cc(N2C[C@H]([NH3+])[C@@H](C(C)C)C2)nc[nH+]1 ZINC000091585716 180199600 /nfs/dbraw/zinc/19/96/00/180199600.db2.gz YXFMHOUDVBOKHW-NEPJUHHUSA-N 2 2 263.389 1.352 50 0 CDAALP Cc1cc(CNc2nc(N3CC[C@@H](O)C3)cc[nH+]2)c[nH+]c1C ZINC000065396255 363030914 /nfs/dbraw/zinc/03/09/14/363030914.db2.gz PGHCKBACIPKWCK-CQSZACIVSA-N 2 2 299.378 1.672 50 0 CDAALP CSCCC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000023338553 356640567 /nfs/dbraw/zinc/64/05/67/356640567.db2.gz XPXSHTPTLDJHCE-ZDUSSCGKSA-N 2 2 299.484 1.414 50 0 CDAALP CSCCC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000023338553 356640571 /nfs/dbraw/zinc/64/05/71/356640571.db2.gz XPXSHTPTLDJHCE-ZDUSSCGKSA-N 2 2 299.484 1.414 50 0 CDAALP COC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccnn1C ZINC000067805048 357629112 /nfs/dbraw/zinc/62/91/12/357629112.db2.gz ZSVZUUXKBRHDOA-OAHLLOKOSA-N 2 2 294.443 1.818 50 0 CDAALP CCCc1[nH+]ccn1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000095438671 357869615 /nfs/dbraw/zinc/86/96/15/357869615.db2.gz RTOIJHSTFSBJHW-MGPQQGTHSA-N 2 2 281.400 1.306 50 0 CDAALP CCc1c[nH+]c(N)nc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000095372350 358688796 /nfs/dbraw/zinc/68/87/96/358688796.db2.gz KCAGJVJPHMDVLV-LBPRGKRZSA-N 2 2 261.373 1.296 50 0 CDAALP CCc1c[nH+]c(N)nc1NCCNc1[nH+]cccc1C ZINC000095377315 358689782 /nfs/dbraw/zinc/68/97/82/358689782.db2.gz UBSADONHGYYOMC-UHFFFAOYSA-N 2 2 272.356 1.849 50 0 CDAALP OC1(C[NH+]2CCCC2)CC[NH+](Cc2cscn2)CC1 ZINC000215386858 358887267 /nfs/dbraw/zinc/88/72/67/358887267.db2.gz KULXXBOSGWFZAP-UHFFFAOYSA-N 2 2 281.425 1.566 50 0 CDAALP C[N@@H+]1CCN2CC[NH+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000215680919 358899439 /nfs/dbraw/zinc/89/94/39/358899439.db2.gz IGKFSSCAKVZJFG-YATRRXNKSA-N 2 2 289.398 1.771 50 0 CDAALP C[N@H+]1CCN2CC[NH+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000215680919 358899441 /nfs/dbraw/zinc/89/94/41/358899441.db2.gz IGKFSSCAKVZJFG-YATRRXNKSA-N 2 2 289.398 1.771 50 0 CDAALP C[NH+]1CCN2CC[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000215680919 358899445 /nfs/dbraw/zinc/89/94/45/358899445.db2.gz IGKFSSCAKVZJFG-YATRRXNKSA-N 2 2 289.398 1.771 50 0 CDAALP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OCCO)C[C@@H]2C1 ZINC000215840615 358905426 /nfs/dbraw/zinc/90/54/26/358905426.db2.gz AWMARNNKSODODC-GASCZTMLSA-N 2 2 276.380 1.051 50 0 CDAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OCCO)C[C@@H]2C1 ZINC000215840615 358905427 /nfs/dbraw/zinc/90/54/27/358905427.db2.gz AWMARNNKSODODC-GASCZTMLSA-N 2 2 276.380 1.051 50 0 CDAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OCCO)C[C@@H]2C1 ZINC000215840615 358905428 /nfs/dbraw/zinc/90/54/28/358905428.db2.gz AWMARNNKSODODC-GASCZTMLSA-N 2 2 276.380 1.051 50 0 CDAALP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OCCO)C[C@@H]2C1 ZINC000215840615 358905429 /nfs/dbraw/zinc/90/54/29/358905429.db2.gz AWMARNNKSODODC-GASCZTMLSA-N 2 2 276.380 1.051 50 0 CDAALP c1ccc2c(c1)[nH+]c1n2CN(CC[NH+]2CCOCC2)CN1 ZINC000100929206 296627005 /nfs/dbraw/zinc/62/70/05/296627005.db2.gz PFHHCYDUFSGGLE-UHFFFAOYSA-N 2 2 287.367 1.011 50 0 CDAALP OCCNc1[nH+]c2ccccc2n1CC[NH+]1CCCCC1 ZINC000005027704 170057522 /nfs/dbraw/zinc/05/75/22/170057522.db2.gz VDQSCQNVQBJBPB-UHFFFAOYSA-N 2 2 288.395 1.926 50 0 CDAALP CC[N@@H+]1CCC[C@@H]([C@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000071681692 276168036 /nfs/dbraw/zinc/16/80/36/276168036.db2.gz UZMGXJDDFLOXRZ-MWLCHTKSSA-N 2 2 266.414 1.644 50 0 CDAALP CC[N@H+]1CCC[C@@H]([C@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000071681692 276168037 /nfs/dbraw/zinc/16/80/37/276168037.db2.gz UZMGXJDDFLOXRZ-MWLCHTKSSA-N 2 2 266.414 1.644 50 0 CDAALP Cc1[nH]c(CN(CC[NH+](C)C)C(=O)C[C@@H]2C=CCC2)c[nH+]1 ZINC001772702420 1159437657 /nfs/dbraw/zinc/43/76/57/1159437657.db2.gz RVOKXNPEWGRMBP-CQSZACIVSA-N 2 2 290.411 1.965 50 0 CDAALP Cc1[nH]cc(CN(CC[NH+](C)C)C(=O)C[C@@H]2C=CCC2)[nH+]1 ZINC001772702420 1159437660 /nfs/dbraw/zinc/43/76/60/1159437660.db2.gz RVOKXNPEWGRMBP-CQSZACIVSA-N 2 2 290.411 1.965 50 0 CDAALP Cc1[nH]c2c([nH+]1)CC[N@@H+](Cc1cnc(N(C)C)nc1)C2 ZINC000670437244 482976927 /nfs/dbraw/zinc/97/69/27/482976927.db2.gz SJSXHYSQJWVNSQ-UHFFFAOYSA-N 2 2 272.356 1.132 50 0 CDAALP Cc1[nH]c2c([nH+]1)CC[N@H+](Cc1cnc(N(C)C)nc1)C2 ZINC000670437244 482976932 /nfs/dbraw/zinc/97/69/32/482976932.db2.gz SJSXHYSQJWVNSQ-UHFFFAOYSA-N 2 2 272.356 1.132 50 0 CDAALP C[C@H](C(=O)N(C)CC[NH+]1CCCCCC1)n1cc[nH+]c1 ZINC000426646957 902880030 /nfs/dbraw/zinc/88/00/30/902880030.db2.gz BYWUNKXEZRWRDL-CQSZACIVSA-N 2 2 278.400 1.779 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC(Oc2cccnc2)CC1 ZINC001506407708 975152933 /nfs/dbraw/zinc/15/29/33/975152933.db2.gz ROOBFFOIYLKCDG-UHFFFAOYSA-N 2 2 286.379 1.901 50 0 CDAALP Cc1c[nH]c(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)[nH+]1 ZINC000426489391 230419895 /nfs/dbraw/zinc/41/98/95/230419895.db2.gz RDGMNXXEQUEALB-GFCCVEGCSA-N 2 2 264.373 1.599 50 0 CDAALP CCc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CCO ZINC000244605547 361853986 /nfs/dbraw/zinc/85/39/86/361853986.db2.gz FAQLDSOAXIYNHY-ZDUSSCGKSA-N 2 2 251.374 1.682 50 0 CDAALP CCc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CCO ZINC000244605547 361853991 /nfs/dbraw/zinc/85/39/91/361853991.db2.gz FAQLDSOAXIYNHY-ZDUSSCGKSA-N 2 2 251.374 1.682 50 0 CDAALP CN(Cc1[nH]cc[nH+]1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000219850614 530026059 /nfs/dbraw/zinc/02/60/59/530026059.db2.gz WZCJMNAEJNJEGN-UHFFFAOYSA-N 2 2 258.329 1.041 50 0 CDAALP OC[C@H]1C[N@H+](Cc2cccnc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091416653 180149747 /nfs/dbraw/zinc/14/97/47/180149747.db2.gz ZIAXIOFKQBQMLF-IAGOWNOFSA-N 2 2 289.423 1.608 50 0 CDAALP OC[C@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091416653 180149749 /nfs/dbraw/zinc/14/97/49/180149749.db2.gz ZIAXIOFKQBQMLF-IAGOWNOFSA-N 2 2 289.423 1.608 50 0 CDAALP NC(=O)C[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000092046717 180311931 /nfs/dbraw/zinc/31/19/31/180311931.db2.gz OHHSQQQVBLTENO-UHFFFAOYSA-N 2 2 276.384 1.348 50 0 CDAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000105922620 186091595 /nfs/dbraw/zinc/09/15/95/186091595.db2.gz APKCRDRIVYWYDH-RYUDHWBXSA-N 2 2 265.357 1.644 50 0 CDAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000105922620 186091596 /nfs/dbraw/zinc/09/15/96/186091596.db2.gz APKCRDRIVYWYDH-RYUDHWBXSA-N 2 2 265.357 1.644 50 0 CDAALP Cc1[nH+]ccn1CCC[N@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000096485958 357513246 /nfs/dbraw/zinc/51/32/46/357513246.db2.gz HPHQQAUWKWEEQC-IUUKEHGRSA-N 2 2 269.414 1.423 50 0 CDAALP Cc1[nH+]ccn1CCC[N@@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000096485958 357513253 /nfs/dbraw/zinc/51/32/53/357513253.db2.gz HPHQQAUWKWEEQC-IUUKEHGRSA-N 2 2 269.414 1.423 50 0 CDAALP C[N@H+](CCC(F)(F)F)C[C@H]1CCC[NH+](CCO)C1 ZINC000067804125 357629141 /nfs/dbraw/zinc/62/91/41/357629141.db2.gz YTERNYBKHGNKLP-LLVKDONJSA-N 2 2 268.323 1.575 50 0 CDAALP C[N@@H+](CCC(F)(F)F)C[C@H]1CCC[NH+](CCO)C1 ZINC000067804125 357629143 /nfs/dbraw/zinc/62/91/43/357629143.db2.gz YTERNYBKHGNKLP-LLVKDONJSA-N 2 2 268.323 1.575 50 0 CDAALP C[NH+](CCC(F)(F)F)C[C@H]1CCC[N@H+](CCO)C1 ZINC000067804125 357629146 /nfs/dbraw/zinc/62/91/46/357629146.db2.gz YTERNYBKHGNKLP-LLVKDONJSA-N 2 2 268.323 1.575 50 0 CDAALP C[NH+](CCC(F)(F)F)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000067804125 357629148 /nfs/dbraw/zinc/62/91/48/357629148.db2.gz YTERNYBKHGNKLP-LLVKDONJSA-N 2 2 268.323 1.575 50 0 CDAALP Cc1ccnc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000223254775 359411387 /nfs/dbraw/zinc/41/13/87/359411387.db2.gz FBRUJQRKHFRHHS-UHFFFAOYSA-N 2 2 284.367 1.579 50 0 CDAALP COc1cc(C[NH+]2CCC([NH3+])CC2)cc(OC)c1 ZINC000011729474 360254635 /nfs/dbraw/zinc/25/46/35/360254635.db2.gz WTBBUZDGTUDIJS-UHFFFAOYSA-N 2 2 250.342 1.627 50 0 CDAALP Cc1nc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000189974809 363958286 /nfs/dbraw/zinc/95/82/86/363958286.db2.gz WFTSXJITNSORLM-AWEZNQCLSA-N 2 2 276.384 1.476 50 0 CDAALP Cn1c(CCC[NH2+][C@@H]2CCOC2)[nH+]c2ccccc21 ZINC000176498949 375825292 /nfs/dbraw/zinc/82/52/92/375825292.db2.gz RHXWEBRTDHXSOO-GFCCVEGCSA-N 2 2 259.353 1.884 50 0 CDAALP CN(CCC[C@@H]1CCCO1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000534675297 328355970 /nfs/dbraw/zinc/35/59/70/328355970.db2.gz JVMGJPPIOSLDFD-OAHLLOKOSA-N 2 2 297.443 1.088 50 0 CDAALP CN(CCC[C@@H]1CCCO1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000534675297 328355971 /nfs/dbraw/zinc/35/59/71/328355971.db2.gz JVMGJPPIOSLDFD-OAHLLOKOSA-N 2 2 297.443 1.088 50 0 CDAALP Cc1[nH+]cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC000668110186 483566341 /nfs/dbraw/zinc/56/63/41/483566341.db2.gz ZEUNJKFPCGRZGG-OAHLLOKOSA-N 2 2 292.427 1.273 50 0 CDAALP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261745931 534676169 /nfs/dbraw/zinc/67/61/69/534676169.db2.gz BWJSHFZPKPNDAR-LLVKDONJSA-N 2 2 279.388 1.285 50 0 CDAALP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261745931 534676172 /nfs/dbraw/zinc/67/61/72/534676172.db2.gz BWJSHFZPKPNDAR-LLVKDONJSA-N 2 2 279.388 1.285 50 0 CDAALP Cn1c[nH+]cc1/C=C/C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000888096422 617758538 /nfs/dbraw/zinc/75/85/38/617758538.db2.gz FYYIGYINJOFYKR-SNAWJCMRSA-N 2 2 282.347 1.353 50 0 CDAALP C[N@@H+]1CCCN(C(=O)c2ccn3cc[nH+]c3c2)CC1 ZINC000095430998 539088094 /nfs/dbraw/zinc/08/80/94/539088094.db2.gz FHSFSQAUKUHATO-UHFFFAOYSA-N 2 2 258.325 1.112 50 0 CDAALP C[N@H+]1CCCN(C(=O)c2ccn3cc[nH+]c3c2)CC1 ZINC000095430998 539088095 /nfs/dbraw/zinc/08/80/95/539088095.db2.gz FHSFSQAUKUHATO-UHFFFAOYSA-N 2 2 258.325 1.112 50 0 CDAALP Cc1[nH+]ccn1-c1ccnc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000089735888 282199740 /nfs/dbraw/zinc/19/97/40/282199740.db2.gz VZBPVMBITZGNAU-GFCCVEGCSA-N 2 2 299.378 1.352 50 0 CDAALP Cc1[nH+]ccn1-c1ccnc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000089735888 282199741 /nfs/dbraw/zinc/19/97/41/282199741.db2.gz VZBPVMBITZGNAU-GFCCVEGCSA-N 2 2 299.378 1.352 50 0 CDAALP O=C(C[NH+]1CCCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000584898301 349360177 /nfs/dbraw/zinc/36/01/77/349360177.db2.gz DBIZULLNNSXRHI-MRXNPFEDSA-N 2 2 298.390 1.836 50 0 CDAALP CC(C)c1ncc(C[N@@H+]2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cn1 ZINC000091548042 180187650 /nfs/dbraw/zinc/18/76/50/180187650.db2.gz NBJVQOXHEITGRQ-HOCLYGCPSA-N 2 2 290.411 1.146 50 0 CDAALP CC(C)c1ncc(C[N@H+]2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cn1 ZINC000091548042 180187651 /nfs/dbraw/zinc/18/76/51/180187651.db2.gz NBJVQOXHEITGRQ-HOCLYGCPSA-N 2 2 290.411 1.146 50 0 CDAALP CCNc1cc[nH+]c(N2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000065403501 357538267 /nfs/dbraw/zinc/53/82/67/357538267.db2.gz KDCRVEPTIIOOGZ-LBPRGKRZSA-N 2 2 263.389 1.829 50 0 CDAALP Cc1[nH+]c(N(C)C)nc(NCCc2c[nH]c[nH+]2)c1C ZINC000065433010 357541592 /nfs/dbraw/zinc/54/15/92/357541592.db2.gz KADUELUWHSGDNL-UHFFFAOYSA-N 2 2 260.345 1.537 50 0 CDAALP Cc1[nH+]c(N(C)C)nc(NCCc2c[nH+]c[nH]2)c1C ZINC000065433010 357541593 /nfs/dbraw/zinc/54/15/93/357541593.db2.gz KADUELUWHSGDNL-UHFFFAOYSA-N 2 2 260.345 1.537 50 0 CDAALP COc1c(F)cc(C[NH2+]C[C@]2(O)CCC[NH2+]C2)cc1F ZINC000072432951 357834716 /nfs/dbraw/zinc/83/47/16/357834716.db2.gz KFRUWTJHOUQHMQ-AWEZNQCLSA-N 2 2 286.322 1.178 50 0 CDAALP CN(C)C(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200691 358188574 /nfs/dbraw/zinc/18/85/74/358188574.db2.gz YPRSIARTUYADAX-CYBMUJFWSA-N 2 2 276.384 1.294 50 0 CDAALP CN(C)C(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200691 358188576 /nfs/dbraw/zinc/18/85/76/358188576.db2.gz YPRSIARTUYADAX-CYBMUJFWSA-N 2 2 276.384 1.294 50 0 CDAALP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1COC[C@@H]1O ZINC000216359892 358940010 /nfs/dbraw/zinc/94/00/10/358940010.db2.gz LCMFDBCJQYFZNF-HOTGVXAUSA-N 2 2 287.363 1.454 50 0 CDAALP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1COC[C@@H]1O ZINC000216359892 358940015 /nfs/dbraw/zinc/94/00/15/358940015.db2.gz LCMFDBCJQYFZNF-HOTGVXAUSA-N 2 2 287.363 1.454 50 0 CDAALP Cc1cccnc1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219056871 359077214 /nfs/dbraw/zinc/07/72/14/359077214.db2.gz QMZOUWQOOGISAU-UHFFFAOYSA-N 2 2 284.367 1.579 50 0 CDAALP C[NH+](C)[C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277751946 374809891 /nfs/dbraw/zinc/80/98/91/374809891.db2.gz JXEQVHOQMIRRSI-SECBINFHSA-N 2 2 269.780 1.633 50 0 CDAALP C[NH+](C)[C@@H]1CCCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277751946 374809897 /nfs/dbraw/zinc/80/98/97/374809897.db2.gz JXEQVHOQMIRRSI-SECBINFHSA-N 2 2 269.780 1.633 50 0 CDAALP C[C@H]1CSCC[NH+]1CC(O)C[N@H+]1CCSC[C@@H]1C ZINC000194540587 392786937 /nfs/dbraw/zinc/78/69/37/392786937.db2.gz PQVQJNQBUUIYON-RYUDHWBXSA-N 2 2 290.498 1.222 50 0 CDAALP C[C@H]1CSCC[NH+]1CC(O)C[N@@H+]1CCSC[C@@H]1C ZINC000194540587 392786946 /nfs/dbraw/zinc/78/69/46/392786946.db2.gz PQVQJNQBUUIYON-RYUDHWBXSA-N 2 2 290.498 1.222 50 0 CDAALP c1cc2ccc(C[N@@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)nc2[nH]1 ZINC000534669035 328346312 /nfs/dbraw/zinc/34/63/12/328346312.db2.gz HYLUAIMIKLTINH-RISCZKNCSA-N 2 2 256.353 1.747 50 0 CDAALP c1cc2ccc(C[N@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)nc2[nH]1 ZINC000534669035 328346313 /nfs/dbraw/zinc/34/63/13/328346313.db2.gz HYLUAIMIKLTINH-RISCZKNCSA-N 2 2 256.353 1.747 50 0 CDAALP Cn1ccnc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000051923387 678832698 /nfs/dbraw/zinc/83/26/98/678832698.db2.gz 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/nfs/dbraw/zinc/15/20/84/975152084.db2.gz DUXDXPTYQLDSPT-GFCCVEGCSA-N 2 2 259.357 1.722 50 0 CDAALP Cc1cnccc1CN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000243892368 361828718 /nfs/dbraw/zinc/82/87/18/361828718.db2.gz AGYSUQTYRRBCHG-BETUJISGSA-N 2 2 298.394 1.603 50 0 CDAALP O=C1CCCN1CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065465858 361906462 /nfs/dbraw/zinc/90/64/62/361906462.db2.gz AHTOQJPTSSZUNH-CQSZACIVSA-N 2 2 288.395 1.438 50 0 CDAALP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCCC[NH2+]1 ZINC000583652123 366019571 /nfs/dbraw/zinc/01/95/71/366019571.db2.gz YXWSPNOUHGWRTJ-YPMHNXCESA-N 2 2 272.352 1.595 50 0 CDAALP CC1CC[NH+](CCC[NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000026226190 356689257 /nfs/dbraw/zinc/68/92/57/356689257.db2.gz MAWJUTSZKDCCCO-MRXNPFEDSA-N 2 2 289.423 1.925 50 0 CDAALP c1cn(CCC[NH2+]Cc2ccc3c(c2)OCO3)c[nH+]1 ZINC000034778554 356820264 /nfs/dbraw/zinc/82/02/64/356820264.db2.gz JCZLMHJTOFIGFJ-UHFFFAOYSA-N 2 2 259.309 1.792 50 0 CDAALP COCc1ncc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000067833866 357629662 /nfs/dbraw/zinc/62/96/62/357629662.db2.gz GTMXWJLJFUZHOA-INIZCTEOSA-N 2 2 290.411 1.541 50 0 CDAALP COCc1ncc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000067833866 357629664 /nfs/dbraw/zinc/62/96/64/357629664.db2.gz GTMXWJLJFUZHOA-INIZCTEOSA-N 2 2 290.411 1.541 50 0 CDAALP COCc1ncc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000067833866 357629665 /nfs/dbraw/zinc/62/96/65/357629665.db2.gz GTMXWJLJFUZHOA-INIZCTEOSA-N 2 2 290.411 1.541 50 0 CDAALP COCc1ncc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000067833866 357629667 /nfs/dbraw/zinc/62/96/67/357629667.db2.gz GTMXWJLJFUZHOA-INIZCTEOSA-N 2 2 290.411 1.541 50 0 CDAALP Cc1nc(CNc2nc(N)[nH+]c3c2CC[NH2+]CC3)cs1 ZINC000072454754 357836807 /nfs/dbraw/zinc/83/68/07/357836807.db2.gz ZJGGJJGLMOZGQS-UHFFFAOYSA-N 2 2 290.396 1.124 50 0 CDAALP Cc1nnc(C[N@@H+](C)CCCc2[nH+]ccn2C)s1 ZINC000299793790 372765950 /nfs/dbraw/zinc/76/59/50/372765950.db2.gz ILVWROHBPIKRJL-UHFFFAOYSA-N 2 2 265.386 1.645 50 0 CDAALP Cc1nnc(C[N@H+](C)CCCc2[nH+]ccn2C)s1 ZINC000299793790 372765956 /nfs/dbraw/zinc/76/59/56/372765956.db2.gz ILVWROHBPIKRJL-UHFFFAOYSA-N 2 2 265.386 1.645 50 0 CDAALP CC(C)[NH+]1CCC(N(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC000024208542 171432897 /nfs/dbraw/zinc/43/28/97/171432897.db2.gz GTBKCXVASGKJCI-UHFFFAOYSA-N 2 2 288.399 1.672 50 0 CDAALP Cn1c2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2n(C)c1=O ZINC000035268952 172092036 /nfs/dbraw/zinc/09/20/36/172092036.db2.gz ZPVWOPKAISOMAK-UHFFFAOYSA-N 2 2 299.378 1.253 50 0 CDAALP [NH3+][C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)CC1 ZINC000072146669 176324806 /nfs/dbraw/zinc/32/48/06/176324806.db2.gz BRGSNGNGCDVSEO-GFCCVEGCSA-N 2 2 288.351 1.478 50 0 CDAALP [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255382823 289369424 /nfs/dbraw/zinc/36/94/24/289369424.db2.gz LCQXXILFYKGCEZ-GTBONMDNSA-N 2 2 296.374 1.835 50 0 CDAALP CCC[N@H+](CCC[NH+]1CCC(F)(F)CC1)CC(=O)NC ZINC000952993102 614578356 /nfs/dbraw/zinc/57/83/56/614578356.db2.gz WHNWOEKNZYIHBN-UHFFFAOYSA-N 2 2 291.386 1.566 50 0 CDAALP CCC[N@@H+](CCC[NH+]1CCC(F)(F)CC1)CC(=O)NC ZINC000952993102 614578360 /nfs/dbraw/zinc/57/83/60/614578360.db2.gz WHNWOEKNZYIHBN-UHFFFAOYSA-N 2 2 291.386 1.566 50 0 CDAALP c1c(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)onc1-c1ccncc1 ZINC001506422003 975158201 /nfs/dbraw/zinc/15/82/01/975158201.db2.gz MQXVNDFYVGFWNQ-MDBPOYHNSA-N 2 2 296.374 1.919 50 0 CDAALP c1c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)onc1-c1ccncc1 ZINC001506422003 975158202 /nfs/dbraw/zinc/15/82/02/975158202.db2.gz MQXVNDFYVGFWNQ-MDBPOYHNSA-N 2 2 296.374 1.919 50 0 CDAALP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000095967644 185046962 /nfs/dbraw/zinc/04/69/62/185046962.db2.gz UREMEBPFEBQKGD-WFASDCNBSA-N 2 2 281.375 1.982 50 0 CDAALP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000095967644 185046963 /nfs/dbraw/zinc/04/69/63/185046963.db2.gz UREMEBPFEBQKGD-WFASDCNBSA-N 2 2 281.375 1.982 50 0 CDAALP COC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000096008645 185064309 /nfs/dbraw/zinc/06/43/09/185064309.db2.gz QDOGYEBINDMVAX-ZDUSSCGKSA-N 2 2 279.384 1.937 50 0 CDAALP Cc1nnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000252484321 362385318 /nfs/dbraw/zinc/38/53/18/362385318.db2.gz FUHGQJQKKRXJCN-LLVKDONJSA-N 2 2 261.329 1.491 50 0 CDAALP Cc1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000252484321 362385323 /nfs/dbraw/zinc/38/53/23/362385323.db2.gz FUHGQJQKKRXJCN-LLVKDONJSA-N 2 2 261.329 1.491 50 0 CDAALP CCC[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1NC(=O)c1ccco1 ZINC000091829482 180265513 /nfs/dbraw/zinc/26/55/13/180265513.db2.gz HSEJJHZHVZTDRA-STQMWFEESA-N 2 2 293.411 1.847 50 0 CDAALP CCC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1NC(=O)c1ccco1 ZINC000091829482 180265516 /nfs/dbraw/zinc/26/55/16/180265516.db2.gz HSEJJHZHVZTDRA-STQMWFEESA-N 2 2 293.411 1.847 50 0 CDAALP CNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065435473 357541419 /nfs/dbraw/zinc/54/14/19/357541419.db2.gz WPBRKXOJGJMCIB-ZDUSSCGKSA-N 2 2 290.411 1.112 50 0 CDAALP CNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065435473 357541423 /nfs/dbraw/zinc/54/14/23/357541423.db2.gz WPBRKXOJGJMCIB-ZDUSSCGKSA-N 2 2 290.411 1.112 50 0 CDAALP Cn1cc[nH+]c1CN(C(=O)C[NH+]1CCCCCC1)C1CC1 ZINC000065452445 357542645 /nfs/dbraw/zinc/54/26/45/357542645.db2.gz BGLAVEMWLFZAAT-UHFFFAOYSA-N 2 2 290.411 1.787 50 0 CDAALP CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000060638765 358254740 /nfs/dbraw/zinc/25/47/40/358254740.db2.gz XVQKCWVRVCPVDG-AWEZNQCLSA-N 2 2 299.378 1.481 50 0 CDAALP CC[N@H+]1CCC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000060638765 358254744 /nfs/dbraw/zinc/25/47/44/358254744.db2.gz XVQKCWVRVCPVDG-AWEZNQCLSA-N 2 2 299.378 1.481 50 0 CDAALP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1c[nH+]c[nH]1 ZINC000095368326 358686878 /nfs/dbraw/zinc/68/68/78/358686878.db2.gz MAULNXPKWLLDCH-HNNXBMFYSA-N 2 2 284.363 1.125 50 0 CDAALP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1c[nH+]c[nH]1 ZINC000095368326 358686880 /nfs/dbraw/zinc/68/68/80/358686880.db2.gz MAULNXPKWLLDCH-HNNXBMFYSA-N 2 2 284.363 1.125 50 0 CDAALP C[NH+]1CCN(c2cc(C3=CCCCC3)[nH+]c(N)n2)CC1 ZINC000216160908 358929491 /nfs/dbraw/zinc/92/94/91/358929491.db2.gz VMZUTCPRVGBZNW-UHFFFAOYSA-N 2 2 273.384 1.768 50 0 CDAALP Nc1nc(NCc2[nH]nc3c2CCC3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223149866 359403586 /nfs/dbraw/zinc/40/35/86/359403586.db2.gz DMHAPOQOXFOWTH-UHFFFAOYSA-N 2 2 299.382 1.087 50 0 CDAALP COc1cc(F)ccc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000426502874 360677424 /nfs/dbraw/zinc/67/74/24/360677424.db2.gz IXNASXWVZBPNBV-ZDUSSCGKSA-N 2 2 268.332 1.384 50 0 CDAALP COc1cc(F)ccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000426502874 360677427 /nfs/dbraw/zinc/67/74/27/360677427.db2.gz IXNASXWVZBPNBV-ZDUSSCGKSA-N 2 2 268.332 1.384 50 0 CDAALP Cn1cc[nH+]c1-c1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000426431749 360669607 /nfs/dbraw/zinc/66/96/07/360669607.db2.gz HHDVMCQYPUEZGU-OAHLLOKOSA-N 2 2 298.390 1.959 50 0 CDAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1C[NH+]1CCCC1 ZINC000101408383 361493798 /nfs/dbraw/zinc/49/37/98/361493798.db2.gz GVFGLUYCPCCNSY-UHFFFAOYSA-N 2 2 292.379 1.927 50 0 CDAALP C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019687644 367267573 /nfs/dbraw/zinc/26/75/73/367267573.db2.gz UXTXSNRKAAHJLL-NSHDSACASA-N 2 2 281.787 1.331 50 0 CDAALP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000253371003 373679633 /nfs/dbraw/zinc/67/96/33/373679633.db2.gz ZIRKEUWASJAMDP-IGQOVBAYSA-N 2 2 252.402 1.872 50 0 CDAALP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000253371003 373679641 /nfs/dbraw/zinc/67/96/41/373679641.db2.gz ZIRKEUWASJAMDP-IGQOVBAYSA-N 2 2 252.402 1.872 50 0 CDAALP CCn1nccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188414268 375778592 /nfs/dbraw/zinc/77/85/92/375778592.db2.gz DCTCVFFQUOVSLC-ZDUSSCGKSA-N 2 2 259.357 1.764 50 0 CDAALP CCn1nccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188414268 375778595 /nfs/dbraw/zinc/77/85/95/375778595.db2.gz DCTCVFFQUOVSLC-ZDUSSCGKSA-N 2 2 259.357 1.764 50 0 CDAALP C[C@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000241884820 376019635 /nfs/dbraw/zinc/01/96/35/376019635.db2.gz SYBPFBQJBJGVKB-QCODTGAPSA-N 2 2 284.444 1.841 50 0 CDAALP C[C@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000241884820 376019643 /nfs/dbraw/zinc/01/96/43/376019643.db2.gz SYBPFBQJBJGVKB-QCODTGAPSA-N 2 2 284.444 1.841 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000067910284 377296649 /nfs/dbraw/zinc/29/66/49/377296649.db2.gz BZDZWSJUAGNWRJ-GFCCVEGCSA-N 2 2 299.378 1.252 50 0 CDAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000071498135 176192058 /nfs/dbraw/zinc/19/20/58/176192058.db2.gz MNLVWFNKDUYOEQ-OAHLLOKOSA-N 2 2 286.379 1.855 50 0 CDAALP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000262758799 279404905 /nfs/dbraw/zinc/40/49/05/279404905.db2.gz PVXXYQHDFPBGBJ-AAEUAGOBSA-N 2 2 272.352 1.676 50 0 CDAALP C[C@H](C[N@H+](C)CCO)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534648272 328343409 /nfs/dbraw/zinc/34/34/09/328343409.db2.gz DXHPULMGMNWFOX-CQSZACIVSA-N 2 2 262.397 1.664 50 0 CDAALP C[C@H](C[N@@H+](C)CCO)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534648272 328343411 /nfs/dbraw/zinc/34/34/11/328343411.db2.gz DXHPULMGMNWFOX-CQSZACIVSA-N 2 2 262.397 1.664 50 0 CDAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000952868756 910415172 /nfs/dbraw/zinc/41/51/72/910415172.db2.gz ABRFIRSNJFGRJT-DGAVXFQQSA-N 3 2 262.401 1.353 50 0 CDAALP CC(C)Oc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(N)[nH+]1 ZINC001506408528 975152843 /nfs/dbraw/zinc/15/28/43/975152843.db2.gz ZBPAFAHISONWMU-GHMZBOCLSA-N 2 2 279.388 1.741 50 0 CDAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000242284663 361754113 /nfs/dbraw/zinc/75/41/13/361754113.db2.gz YIRSEBRNSTWXQW-GFCCVEGCSA-N 2 2 292.362 1.361 50 0 CDAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000242284663 361754118 /nfs/dbraw/zinc/75/41/18/361754118.db2.gz YIRSEBRNSTWXQW-GFCCVEGCSA-N 2 2 292.362 1.361 50 0 CDAALP Cc1nc(NCCCn2cc[nH+]c2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244701289 361857290 /nfs/dbraw/zinc/85/72/90/361857290.db2.gz KDJCQOAAESQXBA-BETUJISGSA-N 2 2 287.367 1.722 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000244858634 361866650 /nfs/dbraw/zinc/86/66/50/361866650.db2.gz VPAHQZCEDMFNCP-UHFFFAOYSA-N 2 2 298.350 1.769 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000244858634 361866654 /nfs/dbraw/zinc/86/66/54/361866654.db2.gz VPAHQZCEDMFNCP-UHFFFAOYSA-N 2 2 298.350 1.769 50 0 CDAALP Cn1c(C[NH+]2CC(c3ccncc3)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252527579 362392010 /nfs/dbraw/zinc/39/20/10/362392010.db2.gz CXLAISTWMDVFLG-XBXGTLAGSA-N 2 2 298.394 1.014 50 0 CDAALP c1c(CC[NH2+][C@H]2C[NH+]3CCC2CC3)nc2ccccn12 ZINC000584895977 349357237 /nfs/dbraw/zinc/35/72/37/349357237.db2.gz HXRADYOAMWPOHC-HNNXBMFYSA-N 2 2 270.380 1.561 50 0 CDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000092002104 180304266 /nfs/dbraw/zinc/30/42/66/180304266.db2.gz XYHSTDKWUGGLJX-LSDHHAIUSA-N 2 2 274.412 1.726 50 0 CDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000092002104 180304268 /nfs/dbraw/zinc/30/42/68/180304268.db2.gz XYHSTDKWUGGLJX-LSDHHAIUSA-N 2 2 274.412 1.726 50 0 CDAALP [NH3+]C[C@@H]1CC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000426382627 358508344 /nfs/dbraw/zinc/50/83/44/358508344.db2.gz IENRKQRBKYHRGW-NSHDSACASA-N 2 2 258.321 1.574 50 0 CDAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000426382627 358508349 /nfs/dbraw/zinc/50/83/49/358508349.db2.gz IENRKQRBKYHRGW-NSHDSACASA-N 2 2 258.321 1.574 50 0 CDAALP Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)nc(C)[nH+]1 ZINC000096453734 357476840 /nfs/dbraw/zinc/47/68/40/357476840.db2.gz FOMVWLNITQHYCX-NSHDSACASA-N 2 2 291.424 1.707 50 0 CDAALP CCc1cc(N2CCc3[nH+]c[nH]c3C2)nc(N2CCCC2)[nH+]1 ZINC000095352409 358682684 /nfs/dbraw/zinc/68/26/84/358682684.db2.gz DFJBKRRLFITYLR-UHFFFAOYSA-N 2 2 298.394 1.925 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000095364330 358685762 /nfs/dbraw/zinc/68/57/62/358685762.db2.gz DCIGZIUFRSBEBC-UHFFFAOYSA-N 2 2 278.400 1.797 50 0 CDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000097775454 358798004 /nfs/dbraw/zinc/79/80/04/358798004.db2.gz GSFXEYFTSOGJQV-AWEZNQCLSA-N 2 2 290.411 1.561 50 0 CDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000097775454 358798005 /nfs/dbraw/zinc/79/80/05/358798005.db2.gz GSFXEYFTSOGJQV-AWEZNQCLSA-N 2 2 290.411 1.561 50 0 CDAALP CCNc1ncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000214962553 358865534 /nfs/dbraw/zinc/86/55/34/358865534.db2.gz SUXBGFCFCGCVRN-UHFFFAOYSA-N 2 2 298.394 1.626 50 0 CDAALP CCc1ccccc1C[N@@H+]1CCN2CC[NH+](C)C[C@@H]2C1 ZINC000216301193 358935854 /nfs/dbraw/zinc/93/58/54/358935854.db2.gz FDTNRLBSAMFAKK-QGZVFWFLSA-N 2 2 273.424 1.681 50 0 CDAALP CCc1ccccc1C[N@H+]1CCN2CC[NH+](C)C[C@@H]2C1 ZINC000216301193 358935856 /nfs/dbraw/zinc/93/58/56/358935856.db2.gz FDTNRLBSAMFAKK-QGZVFWFLSA-N 2 2 273.424 1.681 50 0 CDAALP CCc1ccccc1C[NH+]1CCN2CC[N@H+](C)C[C@@H]2C1 ZINC000216301193 358935858 /nfs/dbraw/zinc/93/58/58/358935858.db2.gz FDTNRLBSAMFAKK-QGZVFWFLSA-N 2 2 273.424 1.681 50 0 CDAALP CCc1ccccc1C[NH+]1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000216301193 358935861 /nfs/dbraw/zinc/93/58/61/358935861.db2.gz FDTNRLBSAMFAKK-QGZVFWFLSA-N 2 2 273.424 1.681 50 0 CDAALP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000095422306 374923863 /nfs/dbraw/zinc/92/38/63/374923863.db2.gz WOMKCFSAAIHWEW-PBHICJAKSA-N 2 2 293.430 1.982 50 0 CDAALP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000095422306 374923868 /nfs/dbraw/zinc/92/38/68/374923868.db2.gz WOMKCFSAAIHWEW-PBHICJAKSA-N 2 2 293.430 1.982 50 0 CDAALP CCC[C@@H](Nc1cc(CC[NH3+])ncn1)c1[nH+]ccn1C ZINC000039500806 174169174 /nfs/dbraw/zinc/16/91/74/174169174.db2.gz HICVKMYLKFTCTO-GFCCVEGCSA-N 2 2 274.372 1.665 50 0 CDAALP CCCc1c[nH+]c(C)nc1N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000072130963 176321872 /nfs/dbraw/zinc/32/18/72/176321872.db2.gz HKSWFXCUKJZBDJ-AWEZNQCLSA-N 2 2 292.427 1.752 50 0 CDAALP CC[N@@H+]1CCC[C@H]([C@@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000106954634 276179234 /nfs/dbraw/zinc/17/92/34/276179234.db2.gz UZMGXJDDFLOXRZ-ONGXEEELSA-N 2 2 266.414 1.644 50 0 CDAALP CC[N@H+]1CCC[C@H]([C@@H]2[NH2+]CCc3nc(N)sc32)C1 ZINC000106954634 276179235 /nfs/dbraw/zinc/17/92/35/276179235.db2.gz UZMGXJDDFLOXRZ-ONGXEEELSA-N 2 2 266.414 1.644 50 0 CDAALP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2)CCO1 ZINC000534591373 328318422 /nfs/dbraw/zinc/31/84/22/328318422.db2.gz ZRWMUVGQOKYMNO-LLVKDONJSA-N 2 2 289.301 1.650 50 0 CDAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)nc2)CCO1 ZINC000534591373 328318424 /nfs/dbraw/zinc/31/84/24/328318424.db2.gz ZRWMUVGQOKYMNO-LLVKDONJSA-N 2 2 289.301 1.650 50 0 CDAALP Brc1c[nH+]c2ccc(N3CC[NH2+]CC3)cn12 ZINC001772572595 1159118040 /nfs/dbraw/zinc/11/80/40/1159118040.db2.gz QTYMTWYQVMKFGI-UHFFFAOYSA-N 2 2 281.157 1.506 50 0 CDAALP Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000585092409 482828902 /nfs/dbraw/zinc/82/89/02/482828902.db2.gz VJRQKINAHPVSQX-QWRGUYRKSA-N 2 2 274.372 1.504 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+]1CCc2nocc2C1 ZINC000670446635 482998283 /nfs/dbraw/zinc/99/82/83/482998283.db2.gz OUXWIGKWWMXIKX-LLVKDONJSA-N 2 2 260.341 1.880 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+]1CCc2nocc2C1 ZINC000670446635 482998286 /nfs/dbraw/zinc/99/82/86/482998286.db2.gz OUXWIGKWWMXIKX-LLVKDONJSA-N 2 2 260.341 1.880 50 0 CDAALP Cc1cnccc1C(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC000823759473 925724634 /nfs/dbraw/zinc/72/46/34/925724634.db2.gz LFHDCNKWZNFWNQ-UHFFFAOYSA-N 2 2 290.411 1.146 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428310 975161973 /nfs/dbraw/zinc/16/19/73/975161973.db2.gz PXFIOUNQOJRUBC-TUVASFSCSA-N 3 2 276.428 1.573 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428310 975161975 /nfs/dbraw/zinc/16/19/75/975161975.db2.gz PXFIOUNQOJRUBC-TUVASFSCSA-N 3 2 276.428 1.573 50 0 CDAALP NC(=[NH2+])NCC[N@H+]1CC=C(Oc2ccccc2)CC1 ZINC000095918179 185030776 /nfs/dbraw/zinc/03/07/76/185030776.db2.gz GAZNYHZUXSDLPK-UHFFFAOYSA-N 2 2 260.341 1.138 50 0 CDAALP NC(=[NH2+])NCC[N@@H+]1CC=C(Oc2ccccc2)CC1 ZINC000095918179 185030778 /nfs/dbraw/zinc/03/07/78/185030778.db2.gz GAZNYHZUXSDLPK-UHFFFAOYSA-N 2 2 260.341 1.138 50 0 CDAALP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000193986351 342590991 /nfs/dbraw/zinc/59/09/91/342590991.db2.gz XVQKCWVRVCPVDG-CQSZACIVSA-N 2 2 299.378 1.481 50 0 CDAALP CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000193986351 342590992 /nfs/dbraw/zinc/59/09/92/342590992.db2.gz XVQKCWVRVCPVDG-CQSZACIVSA-N 2 2 299.378 1.481 50 0 CDAALP CC[NH+]1CCC([NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000023282783 342089205 /nfs/dbraw/zinc/08/92/05/342089205.db2.gz HRNRSDYBPPKZTH-UHFFFAOYSA-N 2 2 275.400 1.083 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000585116544 362045510 /nfs/dbraw/zinc/04/55/10/362045510.db2.gz AHEROMDJEJGYDX-ZDUSSCGKSA-N 2 2 256.353 1.943 50 0 CDAALP Cc1[nH+]ccn1CCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000195546998 363453916 /nfs/dbraw/zinc/45/39/16/363453916.db2.gz HPHQQAUWKWEEQC-PZROIBLQSA-N 2 2 269.414 1.423 50 0 CDAALP Cc1[nH+]ccn1CCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000195546998 363453921 /nfs/dbraw/zinc/45/39/21/363453921.db2.gz HPHQQAUWKWEEQC-PZROIBLQSA-N 2 2 269.414 1.423 50 0 CDAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)CCC2 ZINC000084257770 357121024 /nfs/dbraw/zinc/12/10/24/357121024.db2.gz LGXQDCOBIBFFOI-OAHLLOKOSA-N 2 2 298.390 1.958 50 0 CDAALP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc2c1OCO2 ZINC000015525091 357454920 /nfs/dbraw/zinc/45/49/20/357454920.db2.gz WKSAPBMCINNQDO-UHFFFAOYSA-N 2 2 278.352 1.608 50 0 CDAALP CN(C)c1[nH+]cccc1CNC(=O)C1(Cn2cc[nH+]c2)CC1 ZINC000067867895 357634166 /nfs/dbraw/zinc/63/41/66/357634166.db2.gz MFUQXOLFUOXTMP-UHFFFAOYSA-N 2 2 299.378 1.441 50 0 CDAALP Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)nc(N)[nH+]1 ZINC000097200867 358188709 /nfs/dbraw/zinc/18/87/09/358188709.db2.gz SJBSXYWSINWTSP-GFCCVEGCSA-N 2 2 284.367 1.701 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097654155 358790708 /nfs/dbraw/zinc/79/07/08/358790708.db2.gz NCDKZJKCUAJBAL-UHFFFAOYSA-N 2 2 288.351 1.571 50 0 CDAALP Nc1nc(NCCCc2ccccn2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072422117 359893642 /nfs/dbraw/zinc/89/36/42/359893642.db2.gz WQAVAUIJPYQKRU-UHFFFAOYSA-N 2 2 298.394 1.187 50 0 CDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089729938 360186106 /nfs/dbraw/zinc/18/61/06/360186106.db2.gz CHIQBRFCZPSXHZ-GFCCVEGCSA-N 2 2 286.379 1.507 50 0 CDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089729938 360186109 /nfs/dbraw/zinc/18/61/09/360186109.db2.gz CHIQBRFCZPSXHZ-GFCCVEGCSA-N 2 2 286.379 1.507 50 0 CDAALP CCc1[nH+]c(N)nc(NCc2ccc[nH+]c2N)c1C ZINC000095365332 374889616 /nfs/dbraw/zinc/88/96/16/374889616.db2.gz OKKRVRHMZFTWEP-UHFFFAOYSA-N 2 2 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CCCCc1[nH]cc(CN2CCO[C@@H](CC[NH3+])C2)[nH+]1 ZINC000426715923 391860055 /nfs/dbraw/zinc/86/00/55/391860055.db2.gz MJLWCOBAEOKGOB-ZDUSSCGKSA-N 2 2 266.389 1.302 50 0 CDAALP Cc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)nc1 ZINC000095416686 280831876 /nfs/dbraw/zinc/83/18/76/280831876.db2.gz CHYXMWMPJPPXPG-CQSZACIVSA-N 2 2 263.385 1.590 50 0 CDAALP C[C@@H](C[N@H+](C)CCO)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534648271 328343374 /nfs/dbraw/zinc/34/33/74/328343374.db2.gz DXHPULMGMNWFOX-AWEZNQCLSA-N 2 2 262.397 1.664 50 0 CDAALP C[C@@H](C[N@@H+](C)CCO)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534648271 328343376 /nfs/dbraw/zinc/34/33/76/328343376.db2.gz DXHPULMGMNWFOX-AWEZNQCLSA-N 2 2 262.397 1.664 50 0 CDAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nncn1C(C)C ZINC000821495579 925588274 /nfs/dbraw/zinc/58/82/74/925588274.db2.gz JAQHYDLGFAINQO-LLVKDONJSA-N 2 2 262.361 1.542 50 0 CDAALP CC(C)[NH+]1CCC(Nc2cc(NCCO)[nH+]cn2)CC1 ZINC001506399311 975149521 /nfs/dbraw/zinc/14/95/21/975149521.db2.gz LXJIJXDIXIRJJU-UHFFFAOYSA-N 2 2 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/nfs/dbraw/zinc/14/86/93/180148693.db2.gz FIYWZXGMCDPTAU-HZPDHXFCSA-N 2 2 292.423 1.687 50 0 CDAALP CCOc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091411046 180148695 /nfs/dbraw/zinc/14/86/95/180148695.db2.gz FIYWZXGMCDPTAU-HZPDHXFCSA-N 2 2 292.423 1.687 50 0 CDAALP C[NH+]1CCN(C(c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000019324543 282935009 /nfs/dbraw/zinc/93/50/09/282935009.db2.gz RZBNCCRYRIAZKR-UHFFFAOYSA-N 2 2 294.468 1.242 50 0 CDAALP CC1CC[NH+](CCCNc2[nH+]cnc3c2cnn3C)CC1 ZINC000014268835 366144839 /nfs/dbraw/zinc/14/48/39/366144839.db2.gz LKYZEFLAHORILN-UHFFFAOYSA-N 2 2 288.399 1.897 50 0 CDAALP CCn1c2ccccc2[nH+]c1NCC[NH+]1CCOCC1 ZINC000004114770 356019343 /nfs/dbraw/zinc/01/93/43/356019343.db2.gz CCYJZNCYVPLXCO-UHFFFAOYSA-N 2 2 274.368 1.800 50 0 CDAALP CC(=O)NCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200742 358188650 /nfs/dbraw/zinc/18/86/50/358188650.db2.gz YZSQZTHVIIWSEE-AWEZNQCLSA-N 2 2 276.384 1.342 50 0 CDAALP CC(=O)NCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200742 358188654 /nfs/dbraw/zinc/18/86/54/358188654.db2.gz YZSQZTHVIIWSEE-AWEZNQCLSA-N 2 2 276.384 1.342 50 0 CDAALP Clc1c[nH+]ccc1NCCC[NH+]1CCOCC1 ZINC000094266920 358653457 /nfs/dbraw/zinc/65/34/57/358653457.db2.gz SNIZKTCETNCURO-UHFFFAOYSA-N 2 2 255.749 1.869 50 0 CDAALP c1cc(C[NH+]2CCOCC2)cc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095373161 358688462 /nfs/dbraw/zinc/68/84/62/358688462.db2.gz OXGPBIPGVZKCON-UHFFFAOYSA-N 2 2 298.390 1.555 50 0 CDAALP Nc1cc[nH+]c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000095522285 358696458 /nfs/dbraw/zinc/69/64/58/358696458.db2.gz PVNUNZXIHNBSEO-UHFFFAOYSA-N 2 2 261.373 1.514 50 0 CDAALP Nc1cc[nH+]c(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000095522285 358696460 /nfs/dbraw/zinc/69/64/60/358696460.db2.gz PVNUNZXIHNBSEO-UHFFFAOYSA-N 2 2 261.373 1.514 50 0 CDAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000216087262 358923560 /nfs/dbraw/zinc/92/35/60/358923560.db2.gz UZDSVXKYSHQJMK-QWHCGFSZSA-N 2 2 276.384 1.254 50 0 CDAALP CC(C)[NH+]1CCC(C[N@@H+]2CCN3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000065387803 390552242 /nfs/dbraw/zinc/55/22/42/390552242.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH+]1CCC(C[N@H+]2CCN3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000065387803 390552244 /nfs/dbraw/zinc/55/22/44/390552244.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH+]1CCC(C[NH+]2CCN3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000065387803 390552246 /nfs/dbraw/zinc/55/22/46/390552246.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH+]1CCC(C[NH+]2CCN3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000065387803 390552248 /nfs/dbraw/zinc/55/22/48/390552248.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000193443476 393341444 /nfs/dbraw/zinc/34/14/44/393341444.db2.gz STKSFKJAMMUNRG-CQSZACIVSA-N 2 2 283.460 1.859 50 0 CDAALP CC(C)[NH2+]CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000193443476 393341452 /nfs/dbraw/zinc/34/14/52/393341452.db2.gz STKSFKJAMMUNRG-CQSZACIVSA-N 2 2 283.460 1.859 50 0 CDAALP CC(C)(C)OC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C[NH3+] ZINC000238853200 277195149 /nfs/dbraw/zinc/19/51/49/277195149.db2.gz IPIMDODCXFTYQT-RYUDHWBXSA-N 2 2 269.389 1.419 50 0 CDAALP CC(C)(C)OC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C[NH3+] ZINC000238853200 277195151 /nfs/dbraw/zinc/19/51/51/277195151.db2.gz IPIMDODCXFTYQT-RYUDHWBXSA-N 2 2 269.389 1.419 50 0 CDAALP CC(C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cncnc2)C1 ZINC000952972981 614112308 /nfs/dbraw/zinc/11/23/08/614112308.db2.gz QWBBMUNAEJBJOW-CQSZACIVSA-N 2 2 262.401 1.886 50 0 CDAALP CC(C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cncnc2)C1 ZINC000952972981 614112310 /nfs/dbraw/zinc/11/23/10/614112310.db2.gz QWBBMUNAEJBJOW-CQSZACIVSA-N 2 2 262.401 1.886 50 0 CDAALP CC(C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cncnc2)C1 ZINC000952972981 614112313 /nfs/dbraw/zinc/11/23/13/614112313.db2.gz QWBBMUNAEJBJOW-CQSZACIVSA-N 2 2 262.401 1.886 50 0 CDAALP CC(C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cncnc2)C1 ZINC000952972981 614112315 /nfs/dbraw/zinc/11/23/15/614112315.db2.gz QWBBMUNAEJBJOW-CQSZACIVSA-N 2 2 262.401 1.886 50 0 CDAALP CCn1ccc(C[NH2+]C[C@H]2CCC[N@H+](CCOC)C2)n1 ZINC000952968723 616031842 /nfs/dbraw/zinc/03/18/42/616031842.db2.gz FOIYWFBMNLMQGP-CQSZACIVSA-N 2 2 280.416 1.351 50 0 CDAALP CCn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000952968723 616031843 /nfs/dbraw/zinc/03/18/43/616031843.db2.gz FOIYWFBMNLMQGP-CQSZACIVSA-N 2 2 280.416 1.351 50 0 CDAALP COCC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C)c(C)n2C)C1 ZINC000952968970 616341296 /nfs/dbraw/zinc/34/12/96/616341296.db2.gz QEZHXLDQSAXUGA-HNNXBMFYSA-N 2 2 294.443 1.485 50 0 CDAALP COCC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C)c(C)n2C)C1 ZINC000952968970 616341298 /nfs/dbraw/zinc/34/12/98/616341298.db2.gz QEZHXLDQSAXUGA-HNNXBMFYSA-N 2 2 294.443 1.485 50 0 CDAALP COCCn1c[nH+]cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000252488634 728435220 /nfs/dbraw/zinc/43/52/20/728435220.db2.gz IVXXQQDYKRWNFW-ZDUSSCGKSA-N 2 2 266.389 1.056 50 0 CDAALP CCn1cc[nH+]c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000097743656 529567877 /nfs/dbraw/zinc/56/78/77/529567877.db2.gz XLOFURRFVXYWOS-ZDUSSCGKSA-N 2 2 250.390 1.819 50 0 CDAALP CC[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(N)=O ZINC000192114245 362611141 /nfs/dbraw/zinc/61/11/41/362611141.db2.gz GWFFIKBNYJORRC-INIZCTEOSA-N 2 2 286.379 1.924 50 0 CDAALP C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)OCO2 ZINC000090649274 180017981 /nfs/dbraw/zinc/01/79/81/180017981.db2.gz LIRPGXFIBQLNJG-TZMCWYRMSA-N 2 2 289.379 1.066 50 0 CDAALP [NH3+]CCNc1cc(C(F)(F)F)cc(N2CCOCC2)[nH+]1 ZINC000043179051 357087586 /nfs/dbraw/zinc/08/75/86/357087586.db2.gz FAJLXRNSBSTXCI-UHFFFAOYSA-N 2 2 290.289 1.308 50 0 CDAALP Cc1cc(C)c2[nH]c(C[NH2+][C@H]3CCC[NH2+]C3)cc(=O)c2c1 ZINC000095388500 358692306 /nfs/dbraw/zinc/69/23/06/358692306.db2.gz URXKMELMACPOCG-ZDUSSCGKSA-N 2 2 285.391 1.987 50 0 CDAALP C[N@@H+]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)CC1 ZINC000097514201 358781643 /nfs/dbraw/zinc/78/16/43/358781643.db2.gz LVTRMNNTQYOWII-UHFFFAOYSA-N 2 2 286.379 1.431 50 0 CDAALP C[N@H+]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)CC1 ZINC000097514201 358781645 /nfs/dbraw/zinc/78/16/45/358781645.db2.gz LVTRMNNTQYOWII-UHFFFAOYSA-N 2 2 286.379 1.431 50 0 CDAALP CN(C)c1ccc(C[N@H+](C)CCn2cc[nH+]c2)cn1 ZINC000215476313 358891011 /nfs/dbraw/zinc/89/10/11/358891011.db2.gz STECOWMXUOCVBB-UHFFFAOYSA-N 2 2 259.357 1.476 50 0 CDAALP CN(C)c1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cn1 ZINC000215476313 358891014 /nfs/dbraw/zinc/89/10/14/358891014.db2.gz STECOWMXUOCVBB-UHFFFAOYSA-N 2 2 259.357 1.476 50 0 CDAALP Cc1[nH+]ccn1CCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000336824741 359890980 /nfs/dbraw/zinc/89/09/80/359890980.db2.gz VXNNNQLDEQIZCT-UHFFFAOYSA-N 2 2 290.333 1.762 50 0 CDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089729936 360186203 /nfs/dbraw/zinc/18/62/03/360186203.db2.gz CHIQBRFCZPSXHZ-LBPRGKRZSA-N 2 2 286.379 1.507 50 0 CDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089729936 360186207 /nfs/dbraw/zinc/18/62/07/360186207.db2.gz CHIQBRFCZPSXHZ-LBPRGKRZSA-N 2 2 286.379 1.507 50 0 CDAALP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000179220561 189179109 /nfs/dbraw/zinc/17/91/09/189179109.db2.gz RMRZSEOCIVCHFB-GXTWGEPZSA-N 2 2 299.378 1.467 50 0 CDAALP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638168073 368612985 /nfs/dbraw/zinc/61/29/85/368612985.db2.gz BXNQUMZDXMVFDI-ZIAGYGMSSA-N 2 2 284.363 1.501 50 0 CDAALP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638168073 368612986 /nfs/dbraw/zinc/61/29/86/368612986.db2.gz BXNQUMZDXMVFDI-ZIAGYGMSSA-N 2 2 284.363 1.501 50 0 CDAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000575606422 370615415 /nfs/dbraw/zinc/61/54/15/370615415.db2.gz GZZBPRTUPDLAAQ-UHFFFAOYSA-N 2 2 262.382 1.804 50 0 CDAALP Cc1[nH]c(CN(C)C[C@H]2CCCC[N@@H+]2C)[nH+]c1C ZINC000299781868 372759677 /nfs/dbraw/zinc/75/96/77/372759677.db2.gz LXAHWUZOCXJEIZ-CYBMUJFWSA-N 2 2 250.390 1.943 50 0 CDAALP Cc1[nH]c(CN(C)C[C@H]2CCCC[N@H+]2C)[nH+]c1C ZINC000299781868 372759682 /nfs/dbraw/zinc/75/96/82/372759682.db2.gz LXAHWUZOCXJEIZ-CYBMUJFWSA-N 2 2 250.390 1.943 50 0 CDAALP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C2)cn1 ZINC000095420409 374924268 /nfs/dbraw/zinc/92/42/68/374924268.db2.gz MEFLVUJUMLGTMG-TZMCWYRMSA-N 2 2 279.384 1.289 50 0 CDAALP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C2)cn1 ZINC000095420409 374924273 /nfs/dbraw/zinc/92/42/73/374924273.db2.gz MEFLVUJUMLGTMG-TZMCWYRMSA-N 2 2 279.384 1.289 50 0 CDAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](C)CC1 ZINC000077341298 302895361 /nfs/dbraw/zinc/89/53/61/302895361.db2.gz STZSCNDWSZLMME-UHFFFAOYSA-N 2 2 277.416 1.610 50 0 CDAALP CC[N@H+](C)C1(CNc2cc(OC)[nH+]c(N)n2)CCCC1 ZINC000534664013 328351473 /nfs/dbraw/zinc/35/14/73/328351473.db2.gz XRDVKDUZGABVNU-UHFFFAOYSA-N 2 2 279.388 1.574 50 0 CDAALP CC[N@@H+](C)C1(CNc2cc(OC)[nH+]c(N)n2)CCCC1 ZINC000534664013 328351475 /nfs/dbraw/zinc/35/14/75/328351475.db2.gz XRDVKDUZGABVNU-UHFFFAOYSA-N 2 2 279.388 1.574 50 0 CDAALP C[NH+](C)C[C@H]1CCN(c2cc(NC3CC3)[nH+]c(N)n2)C1 ZINC001506419139 975156773 /nfs/dbraw/zinc/15/67/73/975156773.db2.gz YFRISXXBPHRVMX-SNVBAGLBSA-N 2 2 276.388 1.021 50 0 CDAALP C[NH+](C)C[C@H]1CCN(c2cc(NC3CC3)nc(N)[nH+]2)C1 ZINC001506419139 975156775 /nfs/dbraw/zinc/15/67/75/975156775.db2.gz YFRISXXBPHRVMX-SNVBAGLBSA-N 2 2 276.388 1.021 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000095967646 185046605 /nfs/dbraw/zinc/04/66/05/185046605.db2.gz UREMEBPFEBQKGD-SWLSCSKDSA-N 2 2 281.375 1.982 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000095967646 185046607 /nfs/dbraw/zinc/04/66/07/185046607.db2.gz UREMEBPFEBQKGD-SWLSCSKDSA-N 2 2 281.375 1.982 50 0 CDAALP C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000125010833 187165430 /nfs/dbraw/zinc/16/54/30/187165430.db2.gz RBXUDEZZDNLDDJ-GFCCVEGCSA-N 2 2 270.336 1.306 50 0 CDAALP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000263011066 361904313 /nfs/dbraw/zinc/90/43/13/361904313.db2.gz PTKUGAPBOQLJGB-MRVPVSSYSA-N 2 2 262.279 1.567 50 0 CDAALP [NH3+]CC[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000263011066 361904318 /nfs/dbraw/zinc/90/43/18/361904318.db2.gz PTKUGAPBOQLJGB-MRVPVSSYSA-N 2 2 262.279 1.567 50 0 CDAALP Cc1noc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000084286488 342260414 /nfs/dbraw/zinc/26/04/14/342260414.db2.gz CVUTVKYQGQIARJ-KOLCDFICSA-N 2 2 261.329 1.803 50 0 CDAALP CSCCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000023338551 356640979 /nfs/dbraw/zinc/64/09/79/356640979.db2.gz XPXSHTPTLDJHCE-CYBMUJFWSA-N 2 2 299.484 1.414 50 0 CDAALP CSCCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000023338551 356640983 /nfs/dbraw/zinc/64/09/83/356640983.db2.gz XPXSHTPTLDJHCE-CYBMUJFWSA-N 2 2 299.484 1.414 50 0 CDAALP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc2ccccc21 ZINC000095098706 358678382 /nfs/dbraw/zinc/67/83/82/358678382.db2.gz ARHZSUTUKFGWGB-CYBMUJFWSA-N 2 2 258.365 1.900 50 0 CDAALP CCn1cc(C[N@H+](C)C[C@H]2CC[NH+](CCOC)C2)cn1 ZINC000097532341 358782181 /nfs/dbraw/zinc/78/21/81/358782181.db2.gz ADKAZLIEYUEZAJ-CQSZACIVSA-N 2 2 280.416 1.303 50 0 CDAALP CCn1cc(C[N@@H+](C)C[C@H]2CC[NH+](CCOC)C2)cn1 ZINC000097532341 358782185 /nfs/dbraw/zinc/78/21/85/358782185.db2.gz ADKAZLIEYUEZAJ-CQSZACIVSA-N 2 2 280.416 1.303 50 0 CDAALP CCn1cc(C[NH+](C)C[C@H]2CC[N@H+](CCOC)C2)cn1 ZINC000097532341 358782186 /nfs/dbraw/zinc/78/21/86/358782186.db2.gz ADKAZLIEYUEZAJ-CQSZACIVSA-N 2 2 280.416 1.303 50 0 CDAALP CCn1cc(C[NH+](C)C[C@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000097532341 358782190 /nfs/dbraw/zinc/78/21/90/358782190.db2.gz ADKAZLIEYUEZAJ-CQSZACIVSA-N 2 2 280.416 1.303 50 0 CDAALP [NH3+]CC[C@H]1C[N@H+](Cc2ccc3nsnc3c2)CCO1 ZINC000426498634 360678034 /nfs/dbraw/zinc/67/80/34/360678034.db2.gz PSPFBEXEDDJJOD-NSHDSACASA-N 2 2 278.381 1.241 50 0 CDAALP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc3nsnc3c2)CCO1 ZINC000426498634 360678037 /nfs/dbraw/zinc/67/80/37/360678037.db2.gz PSPFBEXEDDJJOD-NSHDSACASA-N 2 2 278.381 1.241 50 0 CDAALP CCn1nc(C)c(C[N@@H+]2CCc3[nH+]c[nH]c3C2)c1C ZINC000095371977 374892496 /nfs/dbraw/zinc/89/24/96/374892496.db2.gz AFJMSDKOQHOYCT-UHFFFAOYSA-N 2 2 259.357 1.801 50 0 CDAALP CCn1nc(C)c(C[N@H+]2CCc3[nH+]c[nH]c3C2)c1C ZINC000095371977 374892503 /nfs/dbraw/zinc/89/25/03/374892503.db2.gz AFJMSDKOQHOYCT-UHFFFAOYSA-N 2 2 259.357 1.801 50 0 CDAALP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC000095401004 374906318 /nfs/dbraw/zinc/90/63/18/374906318.db2.gz QQYAUVXPQMZOJD-CYBMUJFWSA-N 2 2 278.400 1.342 50 0 CDAALP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC000095401004 374906326 /nfs/dbraw/zinc/90/63/26/374906326.db2.gz QQYAUVXPQMZOJD-CYBMUJFWSA-N 2 2 278.400 1.342 50 0 CDAALP Cc1ccc(NC(=O)[C@@H]([NH3+])COC(C)C)c(C)[nH+]1 ZINC000659251429 413642150 /nfs/dbraw/zinc/64/21/50/413642150.db2.gz FWOHRULILOINAS-NSHDSACASA-N 2 2 251.330 1.389 50 0 CDAALP CNc1nc(N2CCc3[nH+]c[nH]c3C2)[nH+]c2c1CCC2 ZINC000095386372 273975892 /nfs/dbraw/zinc/97/58/92/273975892.db2.gz PUPFOUXATWNDAK-UHFFFAOYSA-N 2 2 270.340 1.293 50 0 CDAALP CCOC(=O)N1CCC([NH2+]CCc2[nH]cc[nH+]2)CC1 ZINC000139132288 328449062 /nfs/dbraw/zinc/44/90/62/328449062.db2.gz OMYOKOUIXGRKRO-UHFFFAOYSA-N 2 2 266.345 1.163 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc(OC)nc2)C1 ZINC000670473515 483083445 /nfs/dbraw/zinc/08/34/45/483083445.db2.gz MIDMJMILMDAHFZ-HNNXBMFYSA-N 2 2 293.411 1.490 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc(OC)nc2)C1 ZINC000670473515 483083448 /nfs/dbraw/zinc/08/34/48/483083448.db2.gz MIDMJMILMDAHFZ-HNNXBMFYSA-N 2 2 293.411 1.490 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc(OC)nc2)C1 ZINC000670473515 483083453 /nfs/dbraw/zinc/08/34/53/483083453.db2.gz MIDMJMILMDAHFZ-HNNXBMFYSA-N 2 2 293.411 1.490 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc(OC)nc2)C1 ZINC000670473515 483083457 /nfs/dbraw/zinc/08/34/57/483083457.db2.gz MIDMJMILMDAHFZ-HNNXBMFYSA-N 2 2 293.411 1.490 50 0 CDAALP CCN(C)c1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc[nH+]1 ZINC001704355485 1177699706 /nfs/dbraw/zinc/69/97/06/1177699706.db2.gz OKSJMRMFLLZRDO-VXGBXAGGSA-N 2 2 263.389 1.827 50 0 CDAALP C[C@@H](C(=O)N1CCC(Oc2cc[nH+]cc2)CC1)[NH+](C)C ZINC000426689969 734200102 /nfs/dbraw/zinc/20/01/02/734200102.db2.gz VFTMCOAAPPZASI-LBPRGKRZSA-N 2 2 277.368 1.402 50 0 CDAALP Cc1nncn1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001506417290 975154402 /nfs/dbraw/zinc/15/44/02/975154402.db2.gz IAKWOBFHGBZLMH-UHFFFAOYSA-N 2 2 263.389 1.147 50 0 CDAALP Nc1nc(NCc2cccc(CO)c2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220633787 230397681 /nfs/dbraw/zinc/39/76/81/230397681.db2.gz BOHPDIQBTMXXKI-UHFFFAOYSA-N 2 2 299.378 1.368 50 0 CDAALP Nc1nc(N2CCCCCC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000252533054 362392195 /nfs/dbraw/zinc/39/21/95/362392195.db2.gz FUDSXBMNBZWBKP-PHIMTYICSA-N 2 2 261.373 1.644 50 0 CDAALP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C(C)C ZINC000091536105 180182351 /nfs/dbraw/zinc/18/23/51/180182351.db2.gz KSDWFVIKRKIUCC-HNNXBMFYSA-N 2 2 292.427 1.995 50 0 CDAALP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@H+]1C(C)C ZINC000091536105 180182352 /nfs/dbraw/zinc/18/23/52/180182352.db2.gz KSDWFVIKRKIUCC-HNNXBMFYSA-N 2 2 292.427 1.995 50 0 CDAALP [NH3+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000036304838 356869723 /nfs/dbraw/zinc/86/97/23/356869723.db2.gz IKIDDZLFPJQJDF-UHFFFAOYSA-N 2 2 275.396 1.317 50 0 CDAALP CCCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200491 358188639 /nfs/dbraw/zinc/18/86/39/358188639.db2.gz ZDNFSDBTCQCAQC-CQSZACIVSA-N 2 2 290.411 1.732 50 0 CDAALP CCCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200491 358188642 /nfs/dbraw/zinc/18/86/42/358188642.db2.gz ZDNFSDBTCQCAQC-CQSZACIVSA-N 2 2 290.411 1.732 50 0 CDAALP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000195547762 358560945 /nfs/dbraw/zinc/56/09/45/358560945.db2.gz DIIJGYMCKOAPRN-MCIONIFRSA-N 2 2 267.373 1.163 50 0 CDAALP CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000195547762 358560947 /nfs/dbraw/zinc/56/09/47/358560947.db2.gz DIIJGYMCKOAPRN-MCIONIFRSA-N 2 2 267.373 1.163 50 0 CDAALP c1cc2nonc2c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC000097732811 358795961 /nfs/dbraw/zinc/79/59/61/358795961.db2.gz HKEKLXNLJGUEOT-JQWIXIFHSA-N 2 2 258.325 1.407 50 0 CDAALP c1cc2nonc2c(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC000097732811 358795962 /nfs/dbraw/zinc/79/59/62/358795962.db2.gz HKEKLXNLJGUEOT-JQWIXIFHSA-N 2 2 258.325 1.407 50 0 CDAALP [NH3+][C@@H]1CCCCN(C(=O)CC2=CSC3=[NH+]CCCN23)C1 ZINC000102476169 358879920 /nfs/dbraw/zinc/87/99/20/358879920.db2.gz LVLANBREJUCKLV-LLVKDONJSA-N 2 2 294.424 1.366 50 0 CDAALP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000215626444 358895813 /nfs/dbraw/zinc/89/58/13/358895813.db2.gz VWJZLZLBRHOZBD-UHFFFAOYSA-N 2 2 288.395 1.982 50 0 CDAALP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000215626444 358895818 /nfs/dbraw/zinc/89/58/18/358895818.db2.gz VWJZLZLBRHOZBD-UHFFFAOYSA-N 2 2 288.395 1.982 50 0 CDAALP CN(Cc1[nH]cc[nH+]1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000215626444 358895824 /nfs/dbraw/zinc/89/58/24/358895824.db2.gz VWJZLZLBRHOZBD-UHFFFAOYSA-N 2 2 288.395 1.982 50 0 CDAALP Cc1nc(N(C)CC[NH+](C)C)cc([C@H]2CCOC2)[nH+]1 ZINC000426489414 360570494 /nfs/dbraw/zinc/57/04/94/360570494.db2.gz VBABLXWKZZNNRO-LBPRGKRZSA-N 2 2 264.373 1.287 50 0 CDAALP CCCn1cc[nH+]c1CNC(=O)[C@H](C)n1cc[nH+]c1C ZINC000426589688 361070371 /nfs/dbraw/zinc/07/03/71/361070371.db2.gz AKOZMIAQTOYKNG-NSHDSACASA-N 2 2 275.356 1.675 50 0 CDAALP Cc1ccc2[nH+]c(Cn3cc([C@H]4CCC[NH2+]C4)nn3)cn2c1 ZINC000095387136 374896591 /nfs/dbraw/zinc/89/65/91/374896591.db2.gz SFSXMACYCYNECO-ZDUSSCGKSA-N 2 2 296.378 1.750 50 0 CDAALP CC[NH+]1CCC(CNc2nccc(NC)n2)([NH+](C)C)CC1 ZINC000534578952 411827593 /nfs/dbraw/zinc/82/75/93/411827593.db2.gz OAUKOUADVHSNNT-UHFFFAOYSA-N 2 2 292.431 1.346 50 0 CDAALP CC[NH+]1CCC(CNc2nc(NC)cc[nH+]2)([NH+](C)C)CC1 ZINC000534578952 411827597 /nfs/dbraw/zinc/82/75/97/411827597.db2.gz OAUKOUADVHSNNT-UHFFFAOYSA-N 3 2 292.431 1.346 50 0 CDAALP CN(C)c1ncc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)s1 ZINC000020200923 171064460 /nfs/dbraw/zinc/06/44/60/171064460.db2.gz ITZFVCIKJZWISL-GFCCVEGCSA-N 2 2 298.456 1.362 50 0 CDAALP CN(C)c1ncc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)s1 ZINC000020200923 171064461 /nfs/dbraw/zinc/06/44/61/171064461.db2.gz ITZFVCIKJZWISL-GFCCVEGCSA-N 2 2 298.456 1.362 50 0 CDAALP C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[N@H+](C)C1CCCCC1 ZINC000534674667 328349701 /nfs/dbraw/zinc/34/97/01/328349701.db2.gz RZYCXLQAHZFLMC-GFCCVEGCSA-N 2 2 278.400 1.721 50 0 CDAALP C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[N@@H+](C)C1CCCCC1 ZINC000534674667 328349703 /nfs/dbraw/zinc/34/97/03/328349703.db2.gz RZYCXLQAHZFLMC-GFCCVEGCSA-N 2 2 278.400 1.721 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486102 738950127 /nfs/dbraw/zinc/95/01/27/738950127.db2.gz JHDYFXPWLZWMEL-HNNXBMFYSA-N 3 2 291.443 1.031 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486102 738950132 /nfs/dbraw/zinc/95/01/32/738950132.db2.gz JHDYFXPWLZWMEL-HNNXBMFYSA-N 3 2 291.443 1.031 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661454 925954663 /nfs/dbraw/zinc/95/46/63/925954663.db2.gz XYZNBJFTBFTQKL-UHFFFAOYSA-N 2 2 290.411 1.867 50 0 CDAALP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1Nc1cc[nH+]cc1F ZINC001506400547 975149353 /nfs/dbraw/zinc/14/93/53/975149353.db2.gz FVYHZGAEVUBBGQ-STQMWFEESA-N 2 2 253.321 1.162 50 0 CDAALP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1Nc1cc[nH+]cc1F ZINC001506400547 975149355 /nfs/dbraw/zinc/14/93/55/975149355.db2.gz FVYHZGAEVUBBGQ-STQMWFEESA-N 2 2 253.321 1.162 50 0 CDAALP CCc1[nH+]ccn1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000244633365 361855204 /nfs/dbraw/zinc/85/52/04/361855204.db2.gz GBRKKJABOOPQCQ-UHFFFAOYSA-N 2 2 285.395 1.663 50 0 CDAALP Cc1[nH]c2ccc(CNC(=O)[C@H]([NH3+])C(C)C)cc2[nH+]1 ZINC000244707823 361856423 /nfs/dbraw/zinc/85/64/23/361856423.db2.gz KIHMRAOZIHJIEC-CYBMUJFWSA-N 2 2 260.341 1.471 50 0 CDAALP Cc1[nH]c2cc(CNC(=O)[C@H]([NH3+])C(C)C)ccc2[nH+]1 ZINC000244707823 361856429 /nfs/dbraw/zinc/85/64/29/361856429.db2.gz KIHMRAOZIHJIEC-CYBMUJFWSA-N 2 2 260.341 1.471 50 0 CDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000097019594 185153184 /nfs/dbraw/zinc/15/31/84/185153184.db2.gz UAEOLGVUDHYLTM-NSHDSACASA-N 2 2 272.352 1.158 50 0 CDAALP Cc1[nH+]c2ccc(C)cn2c1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000585139739 342218262 /nfs/dbraw/zinc/21/82/62/342218262.db2.gz XEEBHVALJNZOEL-GFCCVEGCSA-N 2 2 272.352 1.889 50 0 CDAALP Cc1nc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000195570829 282186047 /nfs/dbraw/zinc/18/60/47/282186047.db2.gz ZRASOMLHLUMZES-VNHYZAJKSA-N 2 2 290.411 1.863 50 0 CDAALP Cc1nc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000195570829 282186048 /nfs/dbraw/zinc/18/60/48/282186048.db2.gz ZRASOMLHLUMZES-VNHYZAJKSA-N 2 2 290.411 1.863 50 0 CDAALP Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000583650859 366006770 /nfs/dbraw/zinc/00/67/70/366006770.db2.gz CQXQDKCJKFQZJC-ZDUSSCGKSA-N 2 2 290.411 1.783 50 0 CDAALP Cc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000583650859 366006775 /nfs/dbraw/zinc/00/67/75/366006775.db2.gz CQXQDKCJKFQZJC-ZDUSSCGKSA-N 2 2 290.411 1.783 50 0 CDAALP Cn1ncc2c1nc[nH+]c2NCCCn1cc[nH+]c1 ZINC000014204949 357209254 /nfs/dbraw/zinc/20/92/54/357209254.db2.gz QODBCKDEINEUHP-UHFFFAOYSA-N 2 2 257.301 1.062 50 0 CDAALP Cc1nc(N2CCC(C[NH+]3CCN(C)CC3)CC2)cc[nH+]1 ZINC000266449627 363580086 /nfs/dbraw/zinc/58/00/86/363580086.db2.gz XDMUPWJWYHTTBO-UHFFFAOYSA-N 2 2 289.427 1.249 50 0 CDAALP C[NH+](C)C[C@@]1(CO)CCC[N@H+](Cc2ccoc2)C1 ZINC000216320541 358937454 /nfs/dbraw/zinc/93/74/54/358937454.db2.gz HMQWMHANIDVGEF-AWEZNQCLSA-N 2 2 252.358 1.416 50 0 CDAALP Cc1cc(C)c(CNC(=O)c2cccc(OCC[NH3+])c2)c[nH+]1 ZINC000426602342 360687451 /nfs/dbraw/zinc/68/74/51/360687451.db2.gz DRJZAWHPSZZUOR-UHFFFAOYSA-N 2 2 299.374 1.966 50 0 CDAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000426615120 360690051 /nfs/dbraw/zinc/69/00/51/360690051.db2.gz JZYHPZQYAASOFG-JTQLQIEISA-N 2 2 288.317 1.975 50 0 CDAALP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000426615120 360690055 /nfs/dbraw/zinc/69/00/55/360690055.db2.gz JZYHPZQYAASOFG-JTQLQIEISA-N 2 2 288.317 1.975 50 0 CDAALP O[C@@H](C[NH2+]Cc1cnc(C2CCC2)s1)C[NH+]1CCCC1 ZINC000089764823 366931060 /nfs/dbraw/zinc/93/10/60/366931060.db2.gz MKTBMKZZBPPHPT-ZDUSSCGKSA-N 2 2 295.452 1.957 50 0 CDAALP Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000253429434 373736148 /nfs/dbraw/zinc/73/61/48/373736148.db2.gz DCBFMUJMKJSCRA-GASCZTMLSA-N 2 2 262.401 1.766 50 0 CDAALP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000253429434 373736150 /nfs/dbraw/zinc/73/61/50/373736150.db2.gz DCBFMUJMKJSCRA-GASCZTMLSA-N 2 2 262.401 1.766 50 0 CDAALP Cc1nn(C(C)C)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000253429434 373736152 /nfs/dbraw/zinc/73/61/52/373736152.db2.gz DCBFMUJMKJSCRA-GASCZTMLSA-N 2 2 262.401 1.766 50 0 CDAALP Cc1nn(C(C)C)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000253429434 373736153 /nfs/dbraw/zinc/73/61/53/373736153.db2.gz DCBFMUJMKJSCRA-GASCZTMLSA-N 2 2 262.401 1.766 50 0 CDAALP Cc1c(C)n(CCC[NH+]2CCOCC2)c2nc[nH+]c(N)c12 ZINC000020589215 171260289 /nfs/dbraw/zinc/26/02/89/171260289.db2.gz CKWAEFXVIXUVMG-UHFFFAOYSA-N 2 2 289.383 1.353 50 0 CDAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000022037795 171350328 /nfs/dbraw/zinc/35/03/28/171350328.db2.gz MYZHMUCEOWWVOD-GJZGRUSLSA-N 2 2 278.396 1.500 50 0 CDAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000022037795 171350329 /nfs/dbraw/zinc/35/03/29/171350329.db2.gz MYZHMUCEOWWVOD-GJZGRUSLSA-N 2 2 278.396 1.500 50 0 CDAALP Cc1c[nH+]c(NCCC[NH+]2CCCC2)nc1N(C)C ZINC000065385589 279019967 /nfs/dbraw/zinc/01/99/67/279019967.db2.gz FXMPACXEKKNKAM-UHFFFAOYSA-N 2 2 263.389 1.749 50 0 CDAALP CC(C)Cn1c[nH+]cc1CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072156525 279259837 /nfs/dbraw/zinc/25/98/37/279259837.db2.gz XQFGVEHKSRKDIX-MRXNPFEDSA-N 2 2 294.443 1.428 50 0 CDAALP Cc1c[nH]c(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)[nH+]1 ZINC000077321639 280279334 /nfs/dbraw/zinc/27/93/34/280279334.db2.gz NSQJEPKZJOVUFU-CYBMUJFWSA-N 2 2 279.384 1.578 50 0 CDAALP [NH3+]CC[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)nc2)CCO1 ZINC000426491571 295237999 /nfs/dbraw/zinc/23/79/99/295237999.db2.gz RVEHQQRCCUWVIP-CYBMUJFWSA-N 2 2 288.351 1.286 50 0 CDAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccco3)nc2)CCO1 ZINC000426491571 295238000 /nfs/dbraw/zinc/23/80/00/295238000.db2.gz RVEHQQRCCUWVIP-CYBMUJFWSA-N 2 2 288.351 1.286 50 0 CDAALP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000090648934 483281853 /nfs/dbraw/zinc/28/18/53/483281853.db2.gz PUANHGYPGMECAR-STQMWFEESA-N 2 2 265.426 1.707 50 0 CDAALP Cc1cn2cc(C(=O)N3C[C@H]4CC[C@@H](C3)[N@H+](C)C4)ccc2[nH+]1 ZINC000219851135 534513321 /nfs/dbraw/zinc/51/33/21/534513321.db2.gz NAIRVIUNRLOTFC-ZFWWWQNUSA-N 2 2 298.390 1.809 50 0 CDAALP Cc1cn2cc(C(=O)N3C[C@H]4CC[C@@H](C3)[N@@H+](C)C4)ccc2[nH+]1 ZINC000219851135 534513327 /nfs/dbraw/zinc/51/33/27/534513327.db2.gz NAIRVIUNRLOTFC-ZFWWWQNUSA-N 2 2 298.390 1.809 50 0 CDAALP CCc1ccccc1OCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772705229 1159439973 /nfs/dbraw/zinc/43/99/73/1159439973.db2.gz GAWAPFNLOXJMJS-WBVHZDCISA-N 2 2 290.407 1.142 50 0 CDAALP CCc1ccccc1OCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772705229 1159439975 /nfs/dbraw/zinc/43/99/75/1159439975.db2.gz GAWAPFNLOXJMJS-WBVHZDCISA-N 2 2 290.407 1.142 50 0 CDAALP CN(CC[N@H+](C)C1CCCC1)c1nnc(C[NH+](C)C)o1 ZINC001772710593 1159444586 /nfs/dbraw/zinc/44/45/86/1159444586.db2.gz YHGYKNCTNLXALW-UHFFFAOYSA-N 2 2 281.404 1.442 50 0 CDAALP CN(CC[N@@H+](C)C1CCCC1)c1nnc(C[NH+](C)C)o1 ZINC001772710593 1159444589 /nfs/dbraw/zinc/44/45/89/1159444589.db2.gz YHGYKNCTNLXALW-UHFFFAOYSA-N 2 2 281.404 1.442 50 0 CDAALP Cc1nc(CO[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000675017053 899873584 /nfs/dbraw/zinc/87/35/84/899873584.db2.gz PGFMDQZGKGAMCA-CQSZACIVSA-N 2 2 294.399 1.453 50 0 CDAALP Cc1nc(CO[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000675017053 899873587 /nfs/dbraw/zinc/87/35/87/899873587.db2.gz PGFMDQZGKGAMCA-CQSZACIVSA-N 2 2 294.399 1.453 50 0 CDAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](CC(=O)NCCc1ccccc1)C2 ZINC000244787578 361863786 /nfs/dbraw/zinc/86/37/86/361863786.db2.gz PZQHXEPPYLPHCC-QLPKVWCKSA-N 2 2 287.407 1.014 50 0 CDAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](CC(=O)NCCc1ccccc1)C2 ZINC000244787578 361863787 /nfs/dbraw/zinc/86/37/87/361863787.db2.gz PZQHXEPPYLPHCC-QLPKVWCKSA-N 2 2 287.407 1.014 50 0 CDAALP CNc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])cs1 ZINC000244866578 361866401 /nfs/dbraw/zinc/86/64/01/361866401.db2.gz VYNNEUCTUGSVJS-JZYVYDRUSA-N 2 2 252.387 1.354 50 0 CDAALP CNc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])cs1 ZINC000244866578 361866402 /nfs/dbraw/zinc/86/64/02/361866402.db2.gz VYNNEUCTUGSVJS-JZYVYDRUSA-N 2 2 252.387 1.354 50 0 CDAALP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCCCNC1=O ZINC000097103378 342192084 /nfs/dbraw/zinc/19/20/84/342192084.db2.gz ZEDXYCYHRUDHMV-AWEZNQCLSA-N 2 2 267.417 1.463 50 0 CDAALP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCCNC1=O ZINC000097103378 342192085 /nfs/dbraw/zinc/19/20/85/342192085.db2.gz ZEDXYCYHRUDHMV-AWEZNQCLSA-N 2 2 267.417 1.463 50 0 CDAALP CC[NH+](CC)C[C@@H]1CCC[N@H+](CC2OCCO2)C1 ZINC000097232341 342205362 /nfs/dbraw/zinc/20/53/62/342205362.db2.gz UPPSRCVYYADDGD-ZDUSSCGKSA-N 2 2 256.390 1.413 50 0 CDAALP CC[NH+](CC)C[C@@H]1CCC[N@@H+](CC2OCCO2)C1 ZINC000097232341 342205363 /nfs/dbraw/zinc/20/53/63/342205363.db2.gz UPPSRCVYYADDGD-ZDUSSCGKSA-N 2 2 256.390 1.413 50 0 CDAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000109352041 186249845 /nfs/dbraw/zinc/24/98/45/186249845.db2.gz JAJSBJFJRYNTJS-AWEZNQCLSA-N 2 2 270.336 1.315 50 0 CDAALP Cc1cccc([C@H](C(=O)NCCc2c[nH+]c[nH]2)[NH+](C)C)c1 ZINC000065396383 357537081 /nfs/dbraw/zinc/53/70/81/357537081.db2.gz ODKHOBUVGDPJBQ-OAHLLOKOSA-N 2 2 286.379 1.680 50 0 CDAALP Cc1cccc([C@H](C(=O)NCCc2c[nH]c[nH+]2)[NH+](C)C)c1 ZINC000065396383 357537084 /nfs/dbraw/zinc/53/70/84/357537084.db2.gz ODKHOBUVGDPJBQ-OAHLLOKOSA-N 2 2 286.379 1.680 50 0 CDAALP CNc1cc[nH+]c(N2CCC[N@H+](CC(C)C)CC2)n1 ZINC000065488870 357544362 /nfs/dbraw/zinc/54/43/62/357544362.db2.gz IDFIDPJHPQZTKI-UHFFFAOYSA-N 2 2 263.389 1.686 50 0 CDAALP CNc1cc[nH+]c(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000065488870 357544367 /nfs/dbraw/zinc/54/43/67/357544367.db2.gz IDFIDPJHPQZTKI-UHFFFAOYSA-N 2 2 263.389 1.686 50 0 CDAALP Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2n1 ZINC000067727156 357621721 /nfs/dbraw/zinc/62/17/21/357621721.db2.gz NNBMQFWSWWEOKN-KRWDZBQOSA-N 2 2 299.422 1.922 50 0 CDAALP Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2n1 ZINC000067727156 357621724 /nfs/dbraw/zinc/62/17/24/357621724.db2.gz NNBMQFWSWWEOKN-KRWDZBQOSA-N 2 2 299.422 1.922 50 0 CDAALP CCCn1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1 ZINC000072453864 357837168 /nfs/dbraw/zinc/83/71/68/357837168.db2.gz JYYAUFICKXZDBR-MRXNPFEDSA-N 2 2 294.443 1.490 50 0 CDAALP CCCn1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1 ZINC000072453864 357837173 /nfs/dbraw/zinc/83/71/73/357837173.db2.gz JYYAUFICKXZDBR-MRXNPFEDSA-N 2 2 294.443 1.490 50 0 CDAALP CC(C)n1c[nH+]cc1CSc1nnc(C[NH3+])n1C ZINC000090236930 358143398 /nfs/dbraw/zinc/14/33/98/358143398.db2.gz QRMNIKVMGSEPQM-UHFFFAOYSA-N 2 2 266.374 1.344 50 0 CDAALP Cc1cn2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)ccc2[nH+]1 ZINC000082108867 358147192 /nfs/dbraw/zinc/14/71/92/358147192.db2.gz OKOVLFYGAGJTLF-CYBMUJFWSA-N 2 2 272.352 1.419 50 0 CDAALP CCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200492 358188750 /nfs/dbraw/zinc/18/87/50/358188750.db2.gz ZDNFSDBTCQCAQC-AWEZNQCLSA-N 2 2 290.411 1.732 50 0 CDAALP CCCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200492 358188754 /nfs/dbraw/zinc/18/87/54/358188754.db2.gz ZDNFSDBTCQCAQC-AWEZNQCLSA-N 2 2 290.411 1.732 50 0 CDAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000022924101 359143002 /nfs/dbraw/zinc/14/30/02/359143002.db2.gz MYZHMUCEOWWVOD-HUUCEWRRSA-N 2 2 278.396 1.500 50 0 CDAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000022924101 359143005 /nfs/dbraw/zinc/14/30/05/359143005.db2.gz MYZHMUCEOWWVOD-HUUCEWRRSA-N 2 2 278.396 1.500 50 0 CDAALP CC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000177959340 189081935 /nfs/dbraw/zinc/08/19/35/189081935.db2.gz FIGSSOKTJWIHNX-MRXNPFEDSA-N 2 2 277.412 1.797 50 0 CDAALP C[NH2+]Cc1nnc(SCc2c[nH+]cn2C(C)C)n1C ZINC000426705820 360697674 /nfs/dbraw/zinc/69/76/74/360697674.db2.gz PAZRWAXGZMTYSN-UHFFFAOYSA-N 2 2 280.401 1.604 50 0 CDAALP c1cn(C[C@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)c[nH+]1 ZINC000291424852 390438884 /nfs/dbraw/zinc/43/88/84/390438884.db2.gz INAYNIKAUKAWSD-CQSZACIVSA-N 2 2 282.351 1.590 50 0 CDAALP c1cn(C[C@H]2CCC[N@H+]2Cc2cn3cccnc3n2)c[nH+]1 ZINC000291424852 390438885 /nfs/dbraw/zinc/43/88/85/390438885.db2.gz INAYNIKAUKAWSD-CQSZACIVSA-N 2 2 282.351 1.590 50 0 CDAALP C[NH2+][C@H](C)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000261802310 273973403 /nfs/dbraw/zinc/97/34/03/273973403.db2.gz RYCSJXXOSPWCFT-GFCCVEGCSA-N 2 2 272.352 1.518 50 0 CDAALP Cc1cc(C(N)=O)c(N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]c1C ZINC000534632449 328332127 /nfs/dbraw/zinc/33/21/27/328332127.db2.gz AUOFLRKQJDHMCF-INIZCTEOSA-N 2 2 288.395 1.377 50 0 CDAALP OC[C@@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700517 1159436757 /nfs/dbraw/zinc/43/67/57/1159436757.db2.gz FXQWFGNVTUXTPC-WFASDCNBSA-N 2 2 296.798 1.233 50 0 CDAALP OC[C@@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700517 1159436759 /nfs/dbraw/zinc/43/67/59/1159436759.db2.gz FXQWFGNVTUXTPC-WFASDCNBSA-N 2 2 296.798 1.233 50 0 CDAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc(OC)nc2)C1 ZINC000670473516 483083501 /nfs/dbraw/zinc/08/35/01/483083501.db2.gz MIDMJMILMDAHFZ-OAHLLOKOSA-N 2 2 293.411 1.490 50 0 CDAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2ccc(OC)nc2)C1 ZINC000670473516 483083505 /nfs/dbraw/zinc/08/35/05/483083505.db2.gz MIDMJMILMDAHFZ-OAHLLOKOSA-N 2 2 293.411 1.490 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2ccc(OC)nc2)C1 ZINC000670473516 483083509 /nfs/dbraw/zinc/08/35/09/483083509.db2.gz MIDMJMILMDAHFZ-OAHLLOKOSA-N 2 2 293.411 1.490 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc(OC)nc2)C1 ZINC000670473516 483083511 /nfs/dbraw/zinc/08/35/11/483083511.db2.gz MIDMJMILMDAHFZ-OAHLLOKOSA-N 2 2 293.411 1.490 50 0 CDAALP O=c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)occ1O ZINC000096482628 230380671 /nfs/dbraw/zinc/38/06/71/230380671.db2.gz GIBZWPLRNPWDDJ-GFCCVEGCSA-N 2 2 288.303 1.394 50 0 CDAALP O=c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)occ1O ZINC000096482628 230380672 /nfs/dbraw/zinc/38/06/72/230380672.db2.gz GIBZWPLRNPWDDJ-GFCCVEGCSA-N 2 2 288.303 1.394 50 0 CDAALP Cc1cccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)n1 ZINC000097819626 230387618 /nfs/dbraw/zinc/38/76/18/230387618.db2.gz XJGMAVKGIWBXKB-UHFFFAOYSA-N 2 2 286.379 1.614 50 0 CDAALP CC[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(N)=O ZINC000192114251 362610623 /nfs/dbraw/zinc/61/06/23/362610623.db2.gz GWFFIKBNYJORRC-MRXNPFEDSA-N 2 2 286.379 1.924 50 0 CDAALP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCCC[NH2+]1 ZINC000583652122 366020125 /nfs/dbraw/zinc/02/01/25/366020125.db2.gz YXWSPNOUHGWRTJ-WCQYABFASA-N 2 2 272.352 1.595 50 0 CDAALP Cc1cn2c3ccccc3n(CC[NH+]3CCOCC3)c2[nH+]1 ZINC000019708068 356496842 /nfs/dbraw/zinc/49/68/42/356496842.db2.gz KYTPDMMAAPJJDS-UHFFFAOYSA-N 2 2 284.363 1.930 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2nonc2c1 ZINC000067563161 357612558 /nfs/dbraw/zinc/61/25/58/357612558.db2.gz QFKLWOVHYMYTJF-SNVBAGLBSA-N 2 2 257.297 1.598 50 0 CDAALP C[C@@H]1C[N@H+](C2CCN(Cc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000072433298 357834890 /nfs/dbraw/zinc/83/48/90/357834890.db2.gz YTYIYRLRHOAXMC-BETUJISGSA-N 2 2 278.400 1.483 50 0 CDAALP C[C@@H]1C[N@@H+](C2CCN(Cc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000072433298 357834894 /nfs/dbraw/zinc/83/48/94/357834894.db2.gz YTYIYRLRHOAXMC-BETUJISGSA-N 2 2 278.400 1.483 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cc(C)no2)C1 ZINC000216377847 358941805 /nfs/dbraw/zinc/94/18/05/358941805.db2.gz ZEVGWOZNENZGJA-ZDUSSCGKSA-N 2 2 267.373 1.383 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cc(C)no2)C1 ZINC000216377847 358941809 /nfs/dbraw/zinc/94/18/09/358941809.db2.gz ZEVGWOZNENZGJA-ZDUSSCGKSA-N 2 2 267.373 1.383 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cc(C)no2)C1 ZINC000216377847 358941813 /nfs/dbraw/zinc/94/18/13/358941813.db2.gz ZEVGWOZNENZGJA-ZDUSSCGKSA-N 2 2 267.373 1.383 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cc(C)no2)C1 ZINC000216377847 358941819 /nfs/dbraw/zinc/94/18/19/358941819.db2.gz ZEVGWOZNENZGJA-ZDUSSCGKSA-N 2 2 267.373 1.383 50 0 CDAALP Nc1nc(N2CCc3ccccc3C2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223084222 359399735 /nfs/dbraw/zinc/39/97/35/359399735.db2.gz JMFMWLAXMMOLTB-UHFFFAOYSA-N 2 2 295.390 1.826 50 0 CDAALP Cn1cc[nH+]c1-c1cccc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000426549184 360683230 /nfs/dbraw/zinc/68/32/30/360683230.db2.gz OSZJEDUXSCPOPI-UHFFFAOYSA-N 2 2 298.390 1.817 50 0 CDAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1C)CCC2 ZINC000089702108 366913989 /nfs/dbraw/zinc/91/39/89/366913989.db2.gz FEBBGUYBAJVAFQ-LBPRGKRZSA-N 2 2 259.357 1.890 50 0 CDAALP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945021 296130032 /nfs/dbraw/zinc/13/00/32/296130032.db2.gz YMQXQUKAMNASFG-HUUCEWRRSA-N 2 2 290.455 1.649 50 0 CDAALP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1N(C)C ZINC000093945021 296130035 /nfs/dbraw/zinc/13/00/35/296130035.db2.gz YMQXQUKAMNASFG-HUUCEWRRSA-N 2 2 290.455 1.649 50 0 CDAALP OCCCC[N@H+](CC1=CSC2=[NH+]CCCN12)C1CC1 ZINC000102733294 373713130 /nfs/dbraw/zinc/71/31/30/373713130.db2.gz BHIRZPIKZDFKCO-UHFFFAOYSA-N 2 2 281.425 1.873 50 0 CDAALP OCCCC[N@@H+](CC1=CSC2=[NH+]CCCN12)C1CC1 ZINC000102733294 373713138 /nfs/dbraw/zinc/71/31/38/373713138.db2.gz BHIRZPIKZDFKCO-UHFFFAOYSA-N 2 2 281.425 1.873 50 0 CDAALP OC[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000008729986 170350842 /nfs/dbraw/zinc/35/08/42/170350842.db2.gz HGUHOOSPLSCJEM-INIZCTEOSA-N 2 2 274.408 1.965 50 0 CDAALP OC[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000008729986 170350843 /nfs/dbraw/zinc/35/08/43/170350843.db2.gz HGUHOOSPLSCJEM-INIZCTEOSA-N 2 2 274.408 1.965 50 0 CDAALP O=C(NCc1[nH]cc[nH+]1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072157628 176329278 /nfs/dbraw/zinc/32/92/78/176329278.db2.gz LSRDZABNYZTHPH-LLVKDONJSA-N 2 2 270.336 1.417 50 0 CDAALP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CCC2)CC1 ZINC000095981751 295151728 /nfs/dbraw/zinc/15/17/28/295151728.db2.gz HVDZGBRRFCXTJC-CQSZACIVSA-N 2 2 265.401 1.201 50 0 CDAALP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2CCC2)CC1 ZINC000095981751 295151731 /nfs/dbraw/zinc/15/17/31/295151731.db2.gz HVDZGBRRFCXTJC-CQSZACIVSA-N 2 2 265.401 1.201 50 0 CDAALP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000242155930 298048428 /nfs/dbraw/zinc/04/84/28/298048428.db2.gz WUKBSKFTDHRESL-ZBFHGGJFSA-N 2 2 298.390 1.959 50 0 CDAALP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000242155930 298048429 /nfs/dbraw/zinc/04/84/29/298048429.db2.gz WUKBSKFTDHRESL-ZBFHGGJFSA-N 2 2 298.390 1.959 50 0 CDAALP CCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000096489086 323207493 /nfs/dbraw/zinc/20/74/93/323207493.db2.gz DIIJGYMCKOAPRN-BFHYXJOUSA-N 2 2 267.373 1.163 50 0 CDAALP CCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000096489086 323207495 /nfs/dbraw/zinc/20/74/95/323207495.db2.gz DIIJGYMCKOAPRN-BFHYXJOUSA-N 2 2 267.373 1.163 50 0 CDAALP CC[NH+](CC)C[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000006831206 361786304 /nfs/dbraw/zinc/78/63/04/361786304.db2.gz MOMXHXYSMHAGKJ-KRWDZBQOSA-N 2 2 291.439 1.511 50 0 CDAALP CCn1cc[nH+]c1CN1CC[NH+](C2CCSCC2)CC1 ZINC000252484367 362385081 /nfs/dbraw/zinc/38/50/81/362385081.db2.gz FUWDRPZYANLWLN-UHFFFAOYSA-N 2 2 294.468 1.916 50 0 CDAALP CC(C)c1[nH+]ccn1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000110694197 350268493 /nfs/dbraw/zinc/26/84/93/350268493.db2.gz OQPUCFZDIPNVQJ-MGPQQGTHSA-N 2 2 281.400 1.477 50 0 CDAALP COc1cccc(OC)c1C[NH+]1CCC([NH3+])CC1 ZINC000000154317 355891667 /nfs/dbraw/zinc/89/16/67/355891667.db2.gz KYCNALWNPRQSMP-UHFFFAOYSA-N 2 2 250.342 1.627 50 0 CDAALP C[NH2+]C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC000000154318 355891853 /nfs/dbraw/zinc/89/18/53/355891853.db2.gz GDSOHLHQWSFYJN-UHFFFAOYSA-N 2 2 264.369 1.888 50 0 CDAALP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067740768 356007199 /nfs/dbraw/zinc/00/71/99/356007199.db2.gz WSIUJQUKNRFNAR-MRXNPFEDSA-N 2 2 270.380 1.773 50 0 CDAALP COc1ccc(C[NH2+]CCC[NH+](C)C)c(OC)c1OC ZINC000002518425 355972719 /nfs/dbraw/zinc/97/27/19/355972719.db2.gz HZCFOTZCGAVWJC-UHFFFAOYSA-N 2 2 282.384 1.754 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000067563278 357613363 /nfs/dbraw/zinc/61/33/63/357613363.db2.gz YLEUQNYPIMEHJU-CYBMUJFWSA-N 2 2 282.351 1.642 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072479130 358071014 /nfs/dbraw/zinc/07/10/14/358071014.db2.gz SGQFDRHGRPLEEE-AWEZNQCLSA-N 2 2 278.400 1.139 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072479130 358071021 /nfs/dbraw/zinc/07/10/21/358071021.db2.gz SGQFDRHGRPLEEE-AWEZNQCLSA-N 2 2 278.400 1.139 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072479131 358071087 /nfs/dbraw/zinc/07/10/87/358071087.db2.gz SGQFDRHGRPLEEE-CQSZACIVSA-N 2 2 278.400 1.139 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072479131 358071091 /nfs/dbraw/zinc/07/10/91/358071091.db2.gz SGQFDRHGRPLEEE-CQSZACIVSA-N 2 2 278.400 1.139 50 0 CDAALP C[C@@H]1C[N@H+](C2CCN(c3nc(N)cc[nH+]3)CC2)C[C@H](C)O1 ZINC000095364653 358686974 /nfs/dbraw/zinc/68/69/74/358686974.db2.gz MOXGQNIGFKCHRW-TXEJJXNPSA-N 2 2 291.399 1.137 50 0 CDAALP C[C@@H]1C[N@@H+](C2CCN(c3nc(N)cc[nH+]3)CC2)C[C@H](C)O1 ZINC000095364653 358686977 /nfs/dbraw/zinc/68/69/77/358686977.db2.gz MOXGQNIGFKCHRW-TXEJJXNPSA-N 2 2 291.399 1.137 50 0 CDAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)c1nc(N)cc[nH+]1 ZINC000095511008 358696542 /nfs/dbraw/zinc/69/65/42/358696542.db2.gz HAXDTGYPIMFZIP-CQSZACIVSA-N 2 2 283.379 1.552 50 0 CDAALP C[NH+](C)CCCOc1ccccc1C[NH+]1CCOCC1 ZINC000216449675 358945772 /nfs/dbraw/zinc/94/57/72/358945772.db2.gz HXFDWACKGPLZEP-UHFFFAOYSA-N 2 2 278.396 1.849 50 0 CDAALP CC[N@@H+]1CC[C@H]2C[NH+](CC(C)C)C[C@@]2(c2nc(C)no2)C1 ZINC000257194140 359608432 /nfs/dbraw/zinc/60/84/32/359608432.db2.gz SQQCOUFJPUSQQA-HOCLYGCPSA-N 2 2 292.427 1.929 50 0 CDAALP CC[N@H+]1CC[C@H]2C[NH+](CC(C)C)C[C@@]2(c2nc(C)no2)C1 ZINC000257194140 359608435 /nfs/dbraw/zinc/60/84/35/359608435.db2.gz SQQCOUFJPUSQQA-HOCLYGCPSA-N 2 2 292.427 1.929 50 0 CDAALP CC[NH+]1CC[C@H]2C[N@H+](CC(C)C)C[C@@]2(c2nc(C)no2)C1 ZINC000257194140 359608436 /nfs/dbraw/zinc/60/84/36/359608436.db2.gz SQQCOUFJPUSQQA-HOCLYGCPSA-N 2 2 292.427 1.929 50 0 CDAALP CC[NH+]1CC[C@H]2C[N@@H+](CC(C)C)C[C@@]2(c2nc(C)no2)C1 ZINC000257194140 359608441 /nfs/dbraw/zinc/60/84/41/359608441.db2.gz SQQCOUFJPUSQQA-HOCLYGCPSA-N 2 2 292.427 1.929 50 0 CDAALP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000408525188 359934200 /nfs/dbraw/zinc/93/42/00/359934200.db2.gz OVZMTXVELRYXCA-CQSZACIVSA-N 2 2 298.431 1.080 50 0 CDAALP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000408525188 359934210 /nfs/dbraw/zinc/93/42/10/359934210.db2.gz OVZMTXVELRYXCA-CQSZACIVSA-N 2 2 298.431 1.080 50 0 CDAALP Cc1[nH+]c2ccccn2c1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000426701637 360697600 /nfs/dbraw/zinc/69/76/00/360697600.db2.gz PGNVIKOURXWVGB-RYUDHWBXSA-N 2 2 290.342 1.001 50 0 CDAALP Cc1ccccc1C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037719036 369992787 /nfs/dbraw/zinc/99/27/87/369992787.db2.gz BTXBURZMXNVKHS-UHFFFAOYSA-N 2 2 289.423 1.637 50 0 CDAALP CC1(C)C[C@@H](O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000395349648 391807763 /nfs/dbraw/zinc/80/77/63/391807763.db2.gz QZQIFXUTQFYYRH-ZDUSSCGKSA-N 2 2 251.374 1.756 50 0 CDAALP CC1(C)C[C@@H](O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000395349648 391807765 /nfs/dbraw/zinc/80/77/65/391807765.db2.gz QZQIFXUTQFYYRH-ZDUSSCGKSA-N 2 2 251.374 1.756 50 0 CDAALP Cc1nn2c(C[N@@H+]3CC[C@](C)(C[NH3+])C3)c(C)nc2s1 ZINC000261615181 140362687 /nfs/dbraw/zinc/36/26/87/140362687.db2.gz CQAUHUZMNGZLEM-CYBMUJFWSA-N 2 2 279.413 1.578 50 0 CDAALP Cc1nn2c(C[N@H+]3CC[C@](C)(C[NH3+])C3)c(C)nc2s1 ZINC000261615181 140362688 /nfs/dbraw/zinc/36/26/88/140362688.db2.gz CQAUHUZMNGZLEM-CYBMUJFWSA-N 2 2 279.413 1.578 50 0 CDAALP C[NH+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000022798647 289164747 /nfs/dbraw/zinc/16/47/47/289164747.db2.gz JAPWWRPJNWOXFE-GFCCVEGCSA-N 2 2 271.405 1.537 50 0 CDAALP C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000005177656 170074085 /nfs/dbraw/zinc/07/40/85/170074085.db2.gz WLONZMUSMQJGID-UHFFFAOYSA-N 2 2 250.342 1.117 50 0 CDAALP c1ccc2[nH+]c(NCCC[NH+]3CCOCC3)[nH]c2c1 ZINC000006197258 170182081 /nfs/dbraw/zinc/18/20/81/170182081.db2.gz PABPIVSFSIPKPT-UHFFFAOYSA-N 2 2 260.341 1.697 50 0 CDAALP Cc1ccc(C)c(N2CC[NH+](C[C@]3(O)CC[NH2+]C3)CC2)c1 ZINC000077301540 177250840 /nfs/dbraw/zinc/25/08/40/177250840.db2.gz UYZJQWNRTXBEQF-KRWDZBQOSA-N 2 2 289.423 1.150 50 0 CDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2cccnc2)C1 ZINC000077342531 177254425 /nfs/dbraw/zinc/25/44/25/177254425.db2.gz XOJZXUJVCLLTKU-INIZCTEOSA-N 2 2 275.396 1.504 50 0 CDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2cccnc2)C1 ZINC000077342531 177254426 /nfs/dbraw/zinc/25/44/26/177254426.db2.gz XOJZXUJVCLLTKU-INIZCTEOSA-N 2 2 275.396 1.504 50 0 CDAALP Cn1nccc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823715245 925723229 /nfs/dbraw/zinc/72/32/29/925723229.db2.gz ZFJADAWNPVYYBZ-LBPRGKRZSA-N 2 2 250.390 1.582 50 0 CDAALP Cn1nccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823715245 925723233 /nfs/dbraw/zinc/72/32/33/925723233.db2.gz ZFJADAWNPVYYBZ-LBPRGKRZSA-N 2 2 250.390 1.582 50 0 CDAALP Cn1nccc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000823715245 925723235 /nfs/dbraw/zinc/72/32/35/925723235.db2.gz ZFJADAWNPVYYBZ-LBPRGKRZSA-N 2 2 250.390 1.582 50 0 CDAALP Cn1nccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000823715245 925723240 /nfs/dbraw/zinc/72/32/40/925723240.db2.gz ZFJADAWNPVYYBZ-LBPRGKRZSA-N 2 2 250.390 1.582 50 0 CDAALP C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000124469841 187138737 /nfs/dbraw/zinc/13/87/37/187138737.db2.gz NSQVXHDSSXLMRW-BTKRWWFXSA-N 2 2 296.374 1.706 50 0 CDAALP Cc1cc(F)ccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000488003853 361737892 /nfs/dbraw/zinc/73/78/92/361737892.db2.gz UYCDFHZAHQFOKJ-UHFFFAOYSA-N 2 2 293.386 1.340 50 0 CDAALP Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000488003853 361737900 /nfs/dbraw/zinc/73/79/00/361737900.db2.gz UYCDFHZAHQFOKJ-UHFFFAOYSA-N 2 2 293.386 1.340 50 0 CDAALP COc1cccc([C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2[NH3+])c1 ZINC000091624893 180209392 /nfs/dbraw/zinc/20/93/92/180209392.db2.gz QCPICBROWFVFQG-CVEARBPZSA-N 2 2 276.380 1.601 50 0 CDAALP COc1cccc([C@H]2C[N@H+](C3CCOCC3)C[C@@H]2[NH3+])c1 ZINC000091624893 180209393 /nfs/dbraw/zinc/20/93/93/180209393.db2.gz QCPICBROWFVFQG-CVEARBPZSA-N 2 2 276.380 1.601 50 0 CDAALP OC[C@H]1C[N@H+](Cc2ccncc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091997389 180303108 /nfs/dbraw/zinc/30/31/08/180303108.db2.gz JMIUVQJCPNGQQF-IAGOWNOFSA-N 2 2 289.423 1.608 50 0 CDAALP OC[C@H]1C[N@@H+](Cc2ccncc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091997389 180303109 /nfs/dbraw/zinc/30/31/09/180303109.db2.gz JMIUVQJCPNGQQF-IAGOWNOFSA-N 2 2 289.423 1.608 50 0 CDAALP Cc1[nH+]ccn1CC1(CNc2nc(N)[nH+]cc2C)CC1 ZINC000092062487 180316206 /nfs/dbraw/zinc/31/62/06/180316206.db2.gz RPCKILYGVOMSBF-UHFFFAOYSA-N 2 2 272.356 1.764 50 0 CDAALP NC(=O)CC[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000092097305 180323814 /nfs/dbraw/zinc/32/38/14/180323814.db2.gz ICWUCPVIFYNZFM-UHFFFAOYSA-N 2 2 290.411 1.738 50 0 CDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072474881 357838129 /nfs/dbraw/zinc/83/81/29/357838129.db2.gz RXIQZSQYKYEZLW-GFCCVEGCSA-N 2 2 263.389 1.220 50 0 CDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072474881 357838130 /nfs/dbraw/zinc/83/81/30/357838130.db2.gz RXIQZSQYKYEZLW-GFCCVEGCSA-N 2 2 263.389 1.220 50 0 CDAALP [NH3+][C@H]1CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000097527243 358782547 /nfs/dbraw/zinc/78/25/47/358782547.db2.gz ZVWLLMFUHZGJNM-LBPRGKRZSA-N 2 2 256.309 1.250 50 0 CDAALP Cc1[nH]c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c[nH+]1 ZINC000215036365 358870247 /nfs/dbraw/zinc/87/02/47/358870247.db2.gz VSBQPMGFJNIDEL-UHFFFAOYSA-N 2 2 283.339 1.530 50 0 CDAALP Cc1[nH]c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c[nH+]1 ZINC000215036365 358870251 /nfs/dbraw/zinc/87/02/51/358870251.db2.gz VSBQPMGFJNIDEL-UHFFFAOYSA-N 2 2 283.339 1.530 50 0 CDAALP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3C[C@@H](C)OC3=O)C2)[nH+]1 ZINC000222204246 359532978 /nfs/dbraw/zinc/53/29/78/359532978.db2.gz MAZKFEKODWWMNF-HZSPNIEDSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)OC3=O)C2)[nH+]1 ZINC000222204246 359532983 /nfs/dbraw/zinc/53/29/83/359532983.db2.gz MAZKFEKODWWMNF-HZSPNIEDSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1Cn1cncn1 ZINC000426478117 360565197 /nfs/dbraw/zinc/56/51/97/360565197.db2.gz NWGGGKMKLCQWKD-QGZVFWFLSA-N 2 2 299.422 1.866 50 0 CDAALP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1Cn1cncn1 ZINC000426478117 360565202 /nfs/dbraw/zinc/56/52/02/360565202.db2.gz NWGGGKMKLCQWKD-QGZVFWFLSA-N 2 2 299.422 1.866 50 0 CDAALP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426551111 360683596 /nfs/dbraw/zinc/68/35/96/360683596.db2.gz LPIDZPNDIYTFMG-CHWSQXEVSA-N 2 2 262.378 1.714 50 0 CDAALP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426551111 360683602 /nfs/dbraw/zinc/68/36/02/360683602.db2.gz LPIDZPNDIYTFMG-CHWSQXEVSA-N 2 2 262.378 1.714 50 0 CDAALP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000426690272 360696598 /nfs/dbraw/zinc/69/65/98/360696598.db2.gz JQVSACFNXJDIAK-CYBMUJFWSA-N 2 2 291.399 1.151 50 0 CDAALP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000426690272 360696601 /nfs/dbraw/zinc/69/66/01/360696601.db2.gz JQVSACFNXJDIAK-CYBMUJFWSA-N 2 2 291.399 1.151 50 0 CDAALP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000241316733 376019068 /nfs/dbraw/zinc/01/90/68/376019068.db2.gz LULCOYMQYGPPGL-XQLPTFJDSA-N 2 2 279.428 1.317 50 0 CDAALP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000241316733 376019078 /nfs/dbraw/zinc/01/90/78/376019078.db2.gz LULCOYMQYGPPGL-XQLPTFJDSA-N 2 2 279.428 1.317 50 0 CDAALP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000241316733 376019086 /nfs/dbraw/zinc/01/90/86/376019086.db2.gz LULCOYMQYGPPGL-XQLPTFJDSA-N 2 2 279.428 1.317 50 0 CDAALP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000241316733 376019092 /nfs/dbraw/zinc/01/90/92/376019092.db2.gz LULCOYMQYGPPGL-XQLPTFJDSA-N 2 2 279.428 1.317 50 0 CDAALP c1cnn(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000065452088 376132930 /nfs/dbraw/zinc/13/29/30/376132930.db2.gz XCRZYQAVEJTBGV-CQSZACIVSA-N 2 2 271.368 1.712 50 0 CDAALP c1cnn(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000065452088 376132941 /nfs/dbraw/zinc/13/29/41/376132941.db2.gz XCRZYQAVEJTBGV-CQSZACIVSA-N 2 2 271.368 1.712 50 0 CDAALP C[N@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000034687707 390404839 /nfs/dbraw/zinc/40/48/39/390404839.db2.gz VNUMNIZCILEGHP-UHFFFAOYSA-N 2 2 276.380 1.984 50 0 CDAALP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000034687707 390404841 /nfs/dbraw/zinc/40/48/41/390404841.db2.gz VNUMNIZCILEGHP-UHFFFAOYSA-N 2 2 276.380 1.984 50 0 CDAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000263865417 131349008 /nfs/dbraw/zinc/34/90/08/131349008.db2.gz YHJUAHLEPJCURJ-HNNXBMFYSA-N 2 2 284.363 1.311 50 0 CDAALP CCn1nc(C)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1C ZINC000071278619 176108405 /nfs/dbraw/zinc/10/84/05/176108405.db2.gz RZOIYQAYVSFHQJ-NSHDSACASA-N 2 2 261.373 1.895 50 0 CDAALP O[C@H]1COCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000077320757 177252548 /nfs/dbraw/zinc/25/25/48/177252548.db2.gz OFVCMANMBHJEQI-QGZVFWFLSA-N 2 2 290.407 1.344 50 0 CDAALP O[C@H]1COCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000077320757 177252550 /nfs/dbraw/zinc/25/25/50/177252550.db2.gz OFVCMANMBHJEQI-QGZVFWFLSA-N 2 2 290.407 1.344 50 0 CDAALP CC(C)=CC(=O)N1CC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067803548 277321851 /nfs/dbraw/zinc/32/18/51/277321851.db2.gz BOQAABUDQDEMTK-UHFFFAOYSA-N 2 2 265.401 1.191 50 0 CDAALP CC(C)=CC(=O)N1CC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067803548 277321854 /nfs/dbraw/zinc/32/18/54/277321854.db2.gz BOQAABUDQDEMTK-UHFFFAOYSA-N 2 2 265.401 1.191 50 0 CDAALP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019413204 356484749 /nfs/dbraw/zinc/48/47/49/356484749.db2.gz UOXKEPYIIWANER-INIZCTEOSA-N 2 2 287.407 1.473 50 0 CDAALP Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000019735768 356497803 /nfs/dbraw/zinc/49/78/03/356497803.db2.gz BISLYFJHPWWIIU-CQSZACIVSA-N 2 2 256.353 1.415 50 0 CDAALP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000222540243 359353234 /nfs/dbraw/zinc/35/32/34/359353234.db2.gz FWXQPJWFHWEIHO-OAHLLOKOSA-N 2 2 299.378 1.059 50 0 CDAALP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000222540243 359353238 /nfs/dbraw/zinc/35/32/38/359353238.db2.gz FWXQPJWFHWEIHO-OAHLLOKOSA-N 2 2 299.378 1.059 50 0 CDAALP Cc1[nH+]cn(CCNC(=O)Cn2c[nH+]c(C)c2C)c1C ZINC000223635381 359441694 /nfs/dbraw/zinc/44/16/94/359441694.db2.gz XDXZEKRFZDKSCR-UHFFFAOYSA-N 2 2 275.356 1.130 50 0 CDAALP Cc1nc(NCC[NH+]2CCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426549142 360683142 /nfs/dbraw/zinc/68/31/42/360683142.db2.gz KKDYBHGNJVCXJT-ZDUSSCGKSA-N 2 2 276.384 1.219 50 0 CDAALP O=C(c1cccc(-c2c[nH]c[nH+]2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000426389209 360662773 /nfs/dbraw/zinc/66/27/73/360662773.db2.gz DVSNCZBLSHQMIV-HNNXBMFYSA-N 2 2 296.374 1.997 50 0 CDAALP O=C(c1cccc(-c2c[nH]c[nH+]2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000426389209 360662776 /nfs/dbraw/zinc/66/27/76/360662776.db2.gz DVSNCZBLSHQMIV-HNNXBMFYSA-N 2 2 296.374 1.997 50 0 CDAALP C[NH+]1CCN(c2ncc(Cn3cc[nH+]c3)s2)CC1 ZINC000004024736 375847588 /nfs/dbraw/zinc/84/75/88/375847588.db2.gz BXJJKTSZRNFDPL-UHFFFAOYSA-N 2 2 263.370 1.140 50 0 CDAALP CCOC(C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)OCC ZINC000253417100 392718301 /nfs/dbraw/zinc/71/83/01/392718301.db2.gz QBFKFYOKDYAHRC-CHWSQXEVSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)OCC ZINC000253417100 392718306 /nfs/dbraw/zinc/71/83/06/392718306.db2.gz QBFKFYOKDYAHRC-CHWSQXEVSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)OCC ZINC000253417100 392718311 /nfs/dbraw/zinc/71/83/11/392718311.db2.gz QBFKFYOKDYAHRC-CHWSQXEVSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)OCC ZINC000253417100 392718315 /nfs/dbraw/zinc/71/83/15/392718315.db2.gz QBFKFYOKDYAHRC-CHWSQXEVSA-N 2 2 256.390 1.412 50 0 CDAALP C[NH+](C)C[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459345585 393104535 /nfs/dbraw/zinc/10/45/35/393104535.db2.gz NUISUICWTBTFBL-LLVKDONJSA-N 2 2 256.781 1.420 50 0 CDAALP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459345585 393104538 /nfs/dbraw/zinc/10/45/38/393104538.db2.gz NUISUICWTBTFBL-LLVKDONJSA-N 2 2 256.781 1.420 50 0 CDAALP O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000179128966 140012884 /nfs/dbraw/zinc/01/28/84/140012884.db2.gz DDHMREJTWWNMCZ-GFCCVEGCSA-N 2 2 272.352 1.454 50 0 CDAALP CN(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000022045021 171350625 /nfs/dbraw/zinc/35/06/25/171350625.db2.gz ZXGBKHNDHRNYRE-UHFFFAOYSA-N 2 2 275.440 1.845 50 0 CDAALP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@]1(O)CC[NH2+]C1 ZINC000077287790 177249040 /nfs/dbraw/zinc/24/90/40/177249040.db2.gz IRNXIMXMHGBMGD-MRXNPFEDSA-N 2 2 286.379 1.233 50 0 CDAALP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@]1(O)CC[NH2+]C1 ZINC000077287790 177249041 /nfs/dbraw/zinc/24/90/41/177249041.db2.gz IRNXIMXMHGBMGD-MRXNPFEDSA-N 2 2 286.379 1.233 50 0 CDAALP C[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H]1C[NH3+] ZINC000179223482 278478012 /nfs/dbraw/zinc/47/80/12/278478012.db2.gz MXNUFPGUPSUPEG-DGCLKSJQSA-N 2 2 272.352 1.534 50 0 CDAALP C[NH+](C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000022798633 289165242 /nfs/dbraw/zinc/16/52/42/289165242.db2.gz UGCKCQWVNFAHKT-UHFFFAOYSA-N 2 2 271.405 1.537 50 0 CDAALP C[C@H](CN1CC[NH+](C)CC1)[NH+]1CC(Oc2ccccc2)C1 ZINC000670448376 483003552 /nfs/dbraw/zinc/00/35/52/483003552.db2.gz RAPFKKYXEZUKLD-OAHLLOKOSA-N 2 2 289.423 1.386 50 0 CDAALP c1[nH+]cn2c1C[N@@H+](C1CSCCSC1)CCC2 ZINC000072165578 567902692 /nfs/dbraw/zinc/90/26/92/567902692.db2.gz KISNPZFBXQYVFM-UHFFFAOYSA-N 2 2 269.439 1.937 50 0 CDAALP c1[nH+]cn2c1C[N@H+](C1CSCCSC1)CCC2 ZINC000072165578 567902693 /nfs/dbraw/zinc/90/26/93/567902693.db2.gz KISNPZFBXQYVFM-UHFFFAOYSA-N 2 2 269.439 1.937 50 0 CDAALP CO[C@H](C[NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCOC1 ZINC000585117412 362046412 /nfs/dbraw/zinc/04/64/12/362046412.db2.gz BKKSGWQSUHKYSX-HUUCEWRRSA-N 2 2 264.369 1.574 50 0 CDAALP CNc1cc[nH+]c(N2CCC[C@@H](Cn3cc[nH+]c3)C2)n1 ZINC000065505908 363294485 /nfs/dbraw/zinc/29/44/85/363294485.db2.gz MLXZHABYIYWUJY-LBPRGKRZSA-N 2 2 272.356 1.631 50 0 CDAALP COCCn1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cn1 ZINC000083912252 357110779 /nfs/dbraw/zinc/11/07/79/357110779.db2.gz AJTZSZKCEUGLNT-CQSZACIVSA-N 2 2 289.383 1.393 50 0 CDAALP COc1cccc2c1OCCC[N@H+](C[C@]1(O)CC[NH2+]C1)C2 ZINC000077385452 358017938 /nfs/dbraw/zinc/01/79/38/358017938.db2.gz VFAZAEVTTKZLSF-INIZCTEOSA-N 2 2 292.379 1.004 50 0 CDAALP COc1cccc2c1OCCC[N@@H+](C[C@]1(O)CC[NH2+]C1)C2 ZINC000077385452 358017942 /nfs/dbraw/zinc/01/79/42/358017942.db2.gz VFAZAEVTTKZLSF-INIZCTEOSA-N 2 2 292.379 1.004 50 0 CDAALP Cc1nnc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)[nH]1 ZINC000244858595 358725208 /nfs/dbraw/zinc/72/52/08/358725208.db2.gz VOBSXJJZTPALNA-CQSZACIVSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1nnc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)[nH]1 ZINC000244858595 358725210 /nfs/dbraw/zinc/72/52/10/358725210.db2.gz VOBSXJJZTPALNA-CQSZACIVSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1n[nH]c([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244858595 358725213 /nfs/dbraw/zinc/72/52/13/358725213.db2.gz VOBSXJJZTPALNA-CQSZACIVSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244858595 358725216 /nfs/dbraw/zinc/72/52/16/358725216.db2.gz VOBSXJJZTPALNA-CQSZACIVSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1nc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000244858595 358725218 /nfs/dbraw/zinc/72/52/18/358725218.db2.gz VOBSXJJZTPALNA-CQSZACIVSA-N 2 2 288.399 1.888 50 0 CDAALP Cc1nc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000244858595 358725221 /nfs/dbraw/zinc/72/52/21/358725221.db2.gz VOBSXJJZTPALNA-CQSZACIVSA-N 2 2 288.399 1.888 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097698830 358793910 /nfs/dbraw/zinc/79/39/10/358793910.db2.gz CHQMHDAAMAJSAX-UHFFFAOYSA-N 2 2 298.390 1.978 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097698830 358793911 /nfs/dbraw/zinc/79/39/11/358793911.db2.gz CHQMHDAAMAJSAX-UHFFFAOYSA-N 2 2 298.390 1.978 50 0 CDAALP CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000426599774 360687713 /nfs/dbraw/zinc/68/77/13/360687713.db2.gz RJKNWRHSDAEVAP-CQSZACIVSA-N 2 2 264.373 1.190 50 0 CDAALP CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000426599774 360687718 /nfs/dbraw/zinc/68/77/18/360687718.db2.gz RJKNWRHSDAEVAP-CQSZACIVSA-N 2 2 264.373 1.190 50 0 CDAALP COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C)C1)C2 ZINC000089920313 366969525 /nfs/dbraw/zinc/96/95/25/366969525.db2.gz RMMRYJGOFAFSJB-KWCYVHTRSA-N 2 2 276.380 1.681 50 0 CDAALP COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1)C2 ZINC000089920313 366969527 /nfs/dbraw/zinc/96/95/27/366969527.db2.gz RMMRYJGOFAFSJB-KWCYVHTRSA-N 2 2 276.380 1.681 50 0 CDAALP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000089967912 366986990 /nfs/dbraw/zinc/98/69/90/366986990.db2.gz VHTQDULUWSOZAR-GJZGRUSLSA-N 2 2 294.443 1.302 50 0 CDAALP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000089967912 366986991 /nfs/dbraw/zinc/98/69/91/366986991.db2.gz VHTQDULUWSOZAR-GJZGRUSLSA-N 2 2 294.443 1.302 50 0 CDAALP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000037800843 373348795 /nfs/dbraw/zinc/34/87/95/373348795.db2.gz HPFCFYOJQRIXEP-AWEZNQCLSA-N 2 2 293.436 1.534 50 0 CDAALP Cc1nc(N2CCC([NH2+]CCO)CC2)c2c([nH+]1)CCCC2 ZINC000253425716 373732452 /nfs/dbraw/zinc/73/24/52/373732452.db2.gz CFDOSDODIQTOJP-UHFFFAOYSA-N 2 2 290.411 1.215 50 0 CDAALP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000178285888 390863140 /nfs/dbraw/zinc/86/31/40/390863140.db2.gz NWNVRGRXGASSIN-LBPRGKRZSA-N 2 2 258.325 1.158 50 0 CDAALP CC(C)NC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000088735536 391485042 /nfs/dbraw/zinc/48/50/42/391485042.db2.gz RVLZQKRZMPYGSR-RDBSUJKOSA-N 2 2 269.433 1.608 50 0 CDAALP CC(C)NC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000088735536 391485044 /nfs/dbraw/zinc/48/50/44/391485044.db2.gz RVLZQKRZMPYGSR-RDBSUJKOSA-N 2 2 269.433 1.608 50 0 CDAALP OC[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000008729987 170350897 /nfs/dbraw/zinc/35/08/97/170350897.db2.gz 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277316302 /nfs/dbraw/zinc/31/63/02/277316302.db2.gz BGELRDJIBNTCEL-ZFWWWQNUSA-N 2 2 280.412 1.888 50 0 CDAALP COC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252692360 277316303 /nfs/dbraw/zinc/31/63/03/277316303.db2.gz BGELRDJIBNTCEL-ZFWWWQNUSA-N 2 2 280.412 1.888 50 0 CDAALP C[C@H](CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOC(C)(C)C1 ZINC000089895462 279263859 /nfs/dbraw/zinc/26/38/59/279263859.db2.gz GBMDIPQUCZPBDT-CQSZACIVSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@H](CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOC(C)(C)C1 ZINC000089895462 279263863 /nfs/dbraw/zinc/26/38/63/279263863.db2.gz GBMDIPQUCZPBDT-CQSZACIVSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@H](CC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCOC(C)(C)C1 ZINC000089895462 279263866 /nfs/dbraw/zinc/26/38/66/279263866.db2.gz GBMDIPQUCZPBDT-CQSZACIVSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@H](CC[NH+]1CCOC(C)(C)C1)[N@H+]1CCOC(C)(C)C1 ZINC000089895462 279263868 /nfs/dbraw/zinc/26/38/68/279263868.db2.gz GBMDIPQUCZPBDT-CQSZACIVSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc2c[nH]nc21 ZINC000089895466 279263884 /nfs/dbraw/zinc/26/38/84/279263884.db2.gz CNRKHLHTBBDUPR-CYBMUJFWSA-N 2 2 288.395 1.763 50 0 CDAALP Cc1ccc(NCCCNC(=O)c2coc(C[NH3+])n2)[nH+]c1 ZINC000670471492 483076256 /nfs/dbraw/zinc/07/62/56/483076256.db2.gz FVAVBZSKHNORGG-UHFFFAOYSA-N 2 2 289.339 1.069 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)[C@@](C)([NH3+])Cc2ccccc2)[nH+]1 ZINC000220545810 533981237 /nfs/dbraw/zinc/98/12/37/533981237.db2.gz MPTMVGUTCSMJIP-INIZCTEOSA-N 2 2 286.379 1.637 50 0 CDAALP CCCCN(Cc1ccco1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000055254111 357330588 /nfs/dbraw/zinc/33/05/88/357330588.db2.gz LEVCEANFKFNTJU-AWEZNQCLSA-N 2 2 290.367 1.701 50 0 CDAALP O=C(NCCCn1cc[nH+]c1)c1ccc2[nH+]ccn2c1 ZINC000068510159 357650789 /nfs/dbraw/zinc/65/07/89/357650789.db2.gz YQCPOKKDOGEXAR-UHFFFAOYSA-N 2 2 269.308 1.351 50 0 CDAALP Cc1cn2cc(C(=O)N3CC[NH2+][C@H](C)C3)ccc2[nH+]1 ZINC000082160840 358149503 /nfs/dbraw/zinc/14/95/03/358149503.db2.gz 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ZINC000426419961 360668357 /nfs/dbraw/zinc/66/83/57/360668357.db2.gz IGBJXGHNVMLNFB-ZDUSSCGKSA-N 2 2 290.411 1.819 50 0 CDAALP CCn1ncnc1C[N@H+](C)CCCc1[nH+]ccn1C ZINC000215109290 390987524 /nfs/dbraw/zinc/98/75/24/390987524.db2.gz RVNLNEIKQHLDGH-UHFFFAOYSA-N 2 2 262.361 1.096 50 0 CDAALP CCn1ncnc1C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000215109290 390987528 /nfs/dbraw/zinc/98/75/28/390987528.db2.gz RVNLNEIKQHLDGH-UHFFFAOYSA-N 2 2 262.361 1.096 50 0 CDAALP Clc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000261572940 140352018 /nfs/dbraw/zinc/35/20/18/140352018.db2.gz MCJDCWRUDHDDNS-NSHDSACASA-N 2 2 285.844 1.881 50 0 CDAALP C[C@H]([NH2+]CCCNc1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000888098454 617761263 /nfs/dbraw/zinc/76/12/63/617761263.db2.gz IZRWISSKDWSCMR-DOTOQJQBSA-N 2 2 290.455 1.713 50 0 CDAALP C[C@H]([NH2+]CCCNc1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000888098454 617761271 /nfs/dbraw/zinc/76/12/71/617761271.db2.gz IZRWISSKDWSCMR-DOTOQJQBSA-N 2 2 290.455 1.713 50 0 CDAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)c1nnc(C[NH3+])o1 ZINC001772704025 1159439711 /nfs/dbraw/zinc/43/97/11/1159439711.db2.gz BFWXLYALUXCVHE-CYBMUJFWSA-N 2 2 287.367 1.021 50 0 CDAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)c1nnc(C[NH3+])o1 ZINC001772704025 1159439713 /nfs/dbraw/zinc/43/97/13/1159439713.db2.gz BFWXLYALUXCVHE-CYBMUJFWSA-N 2 2 287.367 1.021 50 0 CDAALP CC(C)Cn1c[nH+]cc1CN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC001529178069 969004233 /nfs/dbraw/zinc/00/42/33/969004233.db2.gz HDKGEAOCUMYCHT-GEEKYZPCSA-N 2 2 274.412 1.721 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000095967647 185047228 /nfs/dbraw/zinc/04/72/28/185047228.db2.gz UREMEBPFEBQKGD-IUODEOHRSA-N 2 2 281.375 1.982 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000095967647 185047230 /nfs/dbraw/zinc/04/72/30/185047230.db2.gz UREMEBPFEBQKGD-IUODEOHRSA-N 2 2 281.375 1.982 50 0 CDAALP C[C@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000096147916 185106921 /nfs/dbraw/zinc/10/69/21/185106921.db2.gz QLLPCBHIHKCULB-HOTGVXAUSA-N 2 2 287.363 1.190 50 0 CDAALP C[C@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000096147916 185106923 /nfs/dbraw/zinc/10/69/23/185106923.db2.gz QLLPCBHIHKCULB-HOTGVXAUSA-N 2 2 287.363 1.190 50 0 CDAALP Cn1cc[nH+]c1CN1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000022851150 356227128 /nfs/dbraw/zinc/22/71/28/356227128.db2.gz CIEDEPJPUAWNRQ-OAHLLOKOSA-N 2 2 292.427 1.089 50 0 CDAALP C[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067967033 357641033 /nfs/dbraw/zinc/64/10/33/357641033.db2.gz YPJRMXOVRBZFLQ-ZDUSSCGKSA-N 2 2 298.390 1.681 50 0 CDAALP Cc1ccc(NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)[nH+]c1 ZINC000097203791 358191225 /nfs/dbraw/zinc/19/12/25/358191225.db2.gz BSPCGWRBWJLYSW-CYBMUJFWSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1ccc(NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)[nH+]c1 ZINC000097203791 358191227 /nfs/dbraw/zinc/19/12/27/358191227.db2.gz BSPCGWRBWJLYSW-CYBMUJFWSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1nc(C2(Cn3cc[nH+]c3)CC2)n(CCc2c[nH]c[nH+]2)n1 ZINC000097425666 358775175 /nfs/dbraw/zinc/77/51/75/358775175.db2.gz NTHNQMVMMBWRNC-UHFFFAOYSA-N 2 2 297.366 1.481 50 0 CDAALP Cc1nc(NCC[NH+]2CCCC2)cc(C2CC(O)C2)[nH+]1 ZINC000218874912 359069462 /nfs/dbraw/zinc/06/94/62/359069462.db2.gz UVCTUKBSCZAJAF-UHFFFAOYSA-N 2 2 276.384 1.531 50 0 CDAALP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000408523495 359931055 /nfs/dbraw/zinc/93/10/55/359931055.db2.gz SCYCXSKVFVRCGD-CHWSQXEVSA-N 2 2 276.384 1.076 50 0 CDAALP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000408523495 359931057 /nfs/dbraw/zinc/93/10/57/359931057.db2.gz SCYCXSKVFVRCGD-CHWSQXEVSA-N 2 2 276.384 1.076 50 0 CDAALP C[NH2+]CCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037610950 369347767 /nfs/dbraw/zinc/34/77/67/369347767.db2.gz CGFZPAAOHVRTKJ-UHFFFAOYSA-N 2 2 258.325 1.810 50 0 CDAALP c1cnc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000020999137 370121876 /nfs/dbraw/zinc/12/18/76/370121876.db2.gz CARGYNRUDZCOFN-UHFFFAOYSA-N 2 2 289.427 1.475 50 0 CDAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](CCOC)C1 ZINC000091486376 285194272 /nfs/dbraw/zinc/19/42/72/285194272.db2.gz SFTOKYKMXWQANN-ZDUSSCGKSA-N 2 2 267.373 1.355 50 0 CDAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOC)C1 ZINC000091486376 285194274 /nfs/dbraw/zinc/19/42/74/285194274.db2.gz SFTOKYKMXWQANN-ZDUSSCGKSA-N 2 2 267.373 1.355 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000242284652 391681385 /nfs/dbraw/zinc/68/13/85/391681385.db2.gz YIOJOBYLYDHOJH-QKPAOTATSA-N 2 2 296.455 1.890 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000242284652 391681388 /nfs/dbraw/zinc/68/13/88/391681388.db2.gz YIOJOBYLYDHOJH-QKPAOTATSA-N 2 2 296.455 1.890 50 0 CDAALP CC[NH+](CC)CCC[NH2+]CC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000021149438 171298731 /nfs/dbraw/zinc/29/87/31/171298731.db2.gz BKDYMPBZNFRLRW-CQSZACIVSA-N 2 2 299.459 1.382 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072163438 176330658 /nfs/dbraw/zinc/33/06/58/176330658.db2.gz SGGBLYCMLGGADP-GFCCVEGCSA-N 2 2 284.363 1.459 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072163438 176330660 /nfs/dbraw/zinc/33/06/60/176330660.db2.gz SGGBLYCMLGGADP-GFCCVEGCSA-N 2 2 284.363 1.459 50 0 CDAALP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000090648930 483281902 /nfs/dbraw/zinc/28/19/02/483281902.db2.gz PUANHGYPGMECAR-QWHCGFSZSA-N 2 2 265.426 1.707 50 0 CDAALP C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067982849 525089859 /nfs/dbraw/zinc/08/98/59/525089859.db2.gz YKHMIWPLEWYBHE-CYBMUJFWSA-N 2 2 284.363 1.583 50 0 CDAALP C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067982849 525089869 /nfs/dbraw/zinc/08/98/69/525089869.db2.gz YKHMIWPLEWYBHE-CYBMUJFWSA-N 2 2 284.363 1.583 50 0 CDAALP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000268515785 536354658 /nfs/dbraw/zinc/35/46/58/536354658.db2.gz DNHSGRFKWXJVEX-OAHLLOKOSA-N 2 2 289.427 1.473 50 0 CDAALP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000268515785 536354661 /nfs/dbraw/zinc/35/46/61/536354661.db2.gz DNHSGRFKWXJVEX-OAHLLOKOSA-N 2 2 289.427 1.473 50 0 CDAALP Cc1[nH+]c(CN2CCC[C@](CO)(C[NH+](C)C)C2)n(C)c1C ZINC000952978602 789810012 /nfs/dbraw/zinc/81/00/12/789810012.db2.gz BHYDPZUOYGFHJQ-INIZCTEOSA-N 2 2 294.443 1.173 50 0 CDAALP Cn1nccc1C[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823715242 925722993 /nfs/dbraw/zinc/72/29/93/925722993.db2.gz ZFJADAWNPVYYBZ-GFCCVEGCSA-N 2 2 250.390 1.582 50 0 CDAALP Cn1nccc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823715242 925723001 /nfs/dbraw/zinc/72/30/01/925723001.db2.gz ZFJADAWNPVYYBZ-GFCCVEGCSA-N 2 2 250.390 1.582 50 0 CDAALP Cn1nccc1C[NH+](C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000823715242 925723008 /nfs/dbraw/zinc/72/30/08/925723008.db2.gz ZFJADAWNPVYYBZ-GFCCVEGCSA-N 2 2 250.390 1.582 50 0 CDAALP Cn1nccc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000823715242 925723013 /nfs/dbraw/zinc/72/30/13/925723013.db2.gz ZFJADAWNPVYYBZ-GFCCVEGCSA-N 2 2 250.390 1.582 50 0 CDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000065463571 361907128 /nfs/dbraw/zinc/90/71/28/361907128.db2.gz ODBBIHYUFPAAHP-CHWSQXEVSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000065463571 361907130 /nfs/dbraw/zinc/90/71/30/361907130.db2.gz ODBBIHYUFPAAHP-CHWSQXEVSA-N 2 2 275.352 1.439 50 0 CDAALP Nc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccn1 ZINC000191503850 362446946 /nfs/dbraw/zinc/44/69/46/362446946.db2.gz FRFFJKRRBRAYIO-CQSZACIVSA-N 2 2 283.379 1.993 50 0 CDAALP [NH3+][C@H](CC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000020274124 356534951 /nfs/dbraw/zinc/53/49/51/356534951.db2.gz QRSDCQDDHYLZGL-CYBMUJFWSA-N 2 2 278.352 1.180 50 0 CDAALP [NH3+]CCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000054009812 357305752 /nfs/dbraw/zinc/30/57/52/357305752.db2.gz UOJJKDOJCHDJQF-UHFFFAOYSA-N 2 2 253.777 1.811 50 0 CDAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)c1nc(N)cc[nH+]1 ZINC000095511009 358695868 /nfs/dbraw/zinc/69/58/68/358695868.db2.gz HAXDTGYPIMFZIP-AWEZNQCLSA-N 2 2 283.379 1.552 50 0 CDAALP Cc1nc(C[N@H+](C)CCCC[NH+]2CCOCC2)c[nH]1 ZINC000215378861 358886311 /nfs/dbraw/zinc/88/63/11/358886311.db2.gz PSUAFLKRUWDPRX-UHFFFAOYSA-N 2 2 266.389 1.262 50 0 CDAALP Cc1nc(C[N@@H+](C)CCCC[NH+]2CCOCC2)c[nH]1 ZINC000215378861 358886320 /nfs/dbraw/zinc/88/63/20/358886320.db2.gz PSUAFLKRUWDPRX-UHFFFAOYSA-N 2 2 266.389 1.262 50 0 CDAALP Cc1ncc(C[N@H+](C)CCCC[NH+]2CCOCC2)[nH]1 ZINC000215378861 358886325 /nfs/dbraw/zinc/88/63/25/358886325.db2.gz PSUAFLKRUWDPRX-UHFFFAOYSA-N 2 2 266.389 1.262 50 0 CDAALP Cc1ncc(C[N@@H+](C)CCCC[NH+]2CCOCC2)[nH]1 ZINC000215378861 358886332 /nfs/dbraw/zinc/88/63/32/358886332.db2.gz PSUAFLKRUWDPRX-UHFFFAOYSA-N 2 2 266.389 1.262 50 0 CDAALP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000216093041 358924380 /nfs/dbraw/zinc/92/43/80/358924380.db2.gz ULFWETDPJJXEFX-OKILXGFUSA-N 2 2 260.385 1.141 50 0 CDAALP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000216093041 358924383 /nfs/dbraw/zinc/92/43/83/358924383.db2.gz ULFWETDPJJXEFX-OKILXGFUSA-N 2 2 260.385 1.141 50 0 CDAALP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000216093041 358924387 /nfs/dbraw/zinc/92/43/87/358924387.db2.gz ULFWETDPJJXEFX-OKILXGFUSA-N 2 2 260.385 1.141 50 0 CDAALP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000216093041 358924390 /nfs/dbraw/zinc/92/43/90/358924390.db2.gz ULFWETDPJJXEFX-OKILXGFUSA-N 2 2 260.385 1.141 50 0 CDAALP COc1ccc2cc(C[N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)ccc2c1 ZINC000426434140 360529905 /nfs/dbraw/zinc/52/99/05/360529905.db2.gz QWJLYXDDYQDVHW-HZPDHXFCSA-N 2 2 272.348 1.352 50 0 CDAALP COc1ccc2cc(C[N@H+]3C[C@@H]([NH3+])[C@H](O)C3)ccc2c1 ZINC000426434140 360529912 /nfs/dbraw/zinc/52/99/12/360529912.db2.gz QWJLYXDDYQDVHW-HZPDHXFCSA-N 2 2 272.348 1.352 50 0 CDAALP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc3nsnc3c2)CCO1 ZINC000426498632 360677508 /nfs/dbraw/zinc/67/75/08/360677508.db2.gz PSPFBEXEDDJJOD-LLVKDONJSA-N 2 2 278.381 1.241 50 0 CDAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc3nsnc3c2)CCO1 ZINC000426498632 360677513 /nfs/dbraw/zinc/67/75/13/360677513.db2.gz PSPFBEXEDDJJOD-LLVKDONJSA-N 2 2 278.381 1.241 50 0 CDAALP [NH3+][C@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000426511833 360678658 /nfs/dbraw/zinc/67/86/58/360678658.db2.gz WIEPQGLZTNGIRD-HNNXBMFYSA-N 2 2 256.353 1.464 50 0 CDAALP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000426511833 360678663 /nfs/dbraw/zinc/67/86/63/360678663.db2.gz WIEPQGLZTNGIRD-HNNXBMFYSA-N 2 2 256.353 1.464 50 0 CDAALP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178990718 189160126 /nfs/dbraw/zinc/16/01/26/189160126.db2.gz MVXVLMXEUVIULR-CYBMUJFWSA-N 2 2 284.363 1.554 50 0 CDAALP C[C@@H]1CSCC[NH+]1C[C@@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000248740902 364434510 /nfs/dbraw/zinc/43/45/10/364434510.db2.gz PQVQJNQBUUIYON-CLLJXQQHSA-N 2 2 290.498 1.222 50 0 CDAALP C[C@@H]1CSCC[NH+]1C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000248740902 364434512 /nfs/dbraw/zinc/43/45/12/364434512.db2.gz PQVQJNQBUUIYON-CLLJXQQHSA-N 2 2 290.498 1.222 50 0 CDAALP C[C@@H]1CSCC[N@H+]1C[C@@H](O)C[NH+]1CCSC[C@@H]1C ZINC000248740902 364434515 /nfs/dbraw/zinc/43/45/15/364434515.db2.gz PQVQJNQBUUIYON-CLLJXQQHSA-N 2 2 290.498 1.222 50 0 CDAALP C[C@@H]1CSCC[N@@H+]1C[C@@H](O)C[NH+]1CCSC[C@@H]1C ZINC000248740902 364434517 /nfs/dbraw/zinc/43/45/17/364434517.db2.gz PQVQJNQBUUIYON-CLLJXQQHSA-N 2 2 290.498 1.222 50 0 CDAALP C[NH+]1CCC([NH2+][C@@H](Cn2cncn2)c2ccccc2)CC1 ZINC000095421764 374923627 /nfs/dbraw/zinc/92/36/27/374923627.db2.gz DTWWFMXQQBIZKU-INIZCTEOSA-N 2 2 285.395 1.703 50 0 CDAALP FC(F)(F)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000061941404 378187722 /nfs/dbraw/zinc/18/77/22/378187722.db2.gz QWEKGBRGCQTIPA-NSHDSACASA-N 2 2 265.323 1.166 50 0 CDAALP CCN(CC)c1[nH+]cnc(N2CCC([NH+](C)C)CC2)c1N ZINC000104799723 397961164 /nfs/dbraw/zinc/96/11/64/397961164.db2.gz FEONAYJVJCUCIW-UHFFFAOYSA-N 2 2 292.431 1.435 50 0 CDAALP CCN(CC)c1nc[nH+]c(N2CCC([NH+](C)C)CC2)c1N ZINC000104799723 397961171 /nfs/dbraw/zinc/96/11/71/397961171.db2.gz FEONAYJVJCUCIW-UHFFFAOYSA-N 2 2 292.431 1.435 50 0 CDAALP CCOC(=O)N1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000022455532 171388212 /nfs/dbraw/zinc/38/82/12/171388212.db2.gz REJICKZINJKPSV-UHFFFAOYSA-N 2 2 283.416 1.683 50 0 CDAALP NC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2n2cc[nH+]c2)CC1 ZINC000037314057 173115886 /nfs/dbraw/zinc/11/58/86/173115886.db2.gz XCYRZWGSEXYOKU-CHWSQXEVSA-N 2 2 277.372 1.109 50 0 CDAALP CNc1nc(C[N@H+](C)CCn2cc[nH+]c2C)cs1 ZINC000244852660 277304911 /nfs/dbraw/zinc/30/49/11/277304911.db2.gz UWMTWGBHVFYATJ-UHFFFAOYSA-N 2 2 265.386 1.822 50 0 CDAALP CNc1nc(C[N@@H+](C)CCn2cc[nH+]c2C)cs1 ZINC000244852660 277304914 /nfs/dbraw/zinc/30/49/14/277304914.db2.gz UWMTWGBHVFYATJ-UHFFFAOYSA-N 2 2 265.386 1.822 50 0 CDAALP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000534587808 328316318 /nfs/dbraw/zinc/31/63/18/328316318.db2.gz PEIHNSMIUIUNMM-CYBMUJFWSA-N 2 2 267.417 1.496 50 0 CDAALP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000534587808 328316320 /nfs/dbraw/zinc/31/63/20/328316320.db2.gz PEIHNSMIUIUNMM-CYBMUJFWSA-N 2 2 267.417 1.496 50 0 CDAALP CCCCc1[nH]c(C[N@@H+]2CC[C@H](CC(=O)NC)C2)c[nH+]1 ZINC000670433953 482967800 /nfs/dbraw/zinc/96/78/00/482967800.db2.gz RJXQDZFHPNHXEN-GFCCVEGCSA-N 2 2 278.400 1.710 50 0 CDAALP CCCCc1[nH]c(C[N@H+]2CC[C@H](CC(=O)NC)C2)c[nH+]1 ZINC000670433953 482967806 /nfs/dbraw/zinc/96/78/06/482967806.db2.gz RJXQDZFHPNHXEN-GFCCVEGCSA-N 2 2 278.400 1.710 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000670440805 482985371 /nfs/dbraw/zinc/98/53/71/482985371.db2.gz KIQDCZIDMPWMBT-MRXNPFEDSA-N 2 2 271.364 1.556 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000670440805 482985373 /nfs/dbraw/zinc/98/53/73/482985373.db2.gz KIQDCZIDMPWMBT-MRXNPFEDSA-N 2 2 271.364 1.556 50 0 CDAALP CC(C)Nc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC000067885142 794878955 /nfs/dbraw/zinc/87/89/55/794878955.db2.gz WPDRMEDVEGLHMG-OAHLLOKOSA-N 2 2 275.400 1.877 50 0 CDAALP CC(C)Nc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC000067885142 794878956 /nfs/dbraw/zinc/87/89/56/794878956.db2.gz WPDRMEDVEGLHMG-OAHLLOKOSA-N 2 2 275.400 1.877 50 0 CDAALP c1cn(CC2(C[NH2+][C@@H]3CN4CCC3CC4)CC2)c[nH+]1 ZINC000829078377 926232453 /nfs/dbraw/zinc/23/24/53/926232453.db2.gz IBQNVPQTOOJUIS-CQSZACIVSA-N 2 2 260.385 1.347 50 0 CDAALP COc1cc(N(C)CC[N@H+](C)C2CCCC2)nc(N)[nH+]1 ZINC001506409635 975153409 /nfs/dbraw/zinc/15/34/09/975153409.db2.gz RWCMGGREXDGFMA-UHFFFAOYSA-N 2 2 279.388 1.378 50 0 CDAALP COc1cc(N(C)CC[N@@H+](C)C2CCCC2)nc(N)[nH+]1 ZINC001506409635 975153410 /nfs/dbraw/zinc/15/34/10/975153410.db2.gz RWCMGGREXDGFMA-UHFFFAOYSA-N 2 2 279.388 1.378 50 0 CDAALP O=C(OCC[NH+]1CCSCC1)c1ccn2c[nH+]cc2c1 ZINC000097034344 185157427 /nfs/dbraw/zinc/15/74/27/185157427.db2.gz WDKJFFJWDNOFDZ-UHFFFAOYSA-N 2 2 291.376 1.540 50 0 CDAALP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc[nH]n1 ZINC000036900238 356276270 /nfs/dbraw/zinc/27/62/70/356276270.db2.gz YVVXPJPASVRPNF-UHFFFAOYSA-N 2 2 255.325 1.858 50 0 CDAALP CC[NH+](CC)CCNc1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000065383782 357534612 /nfs/dbraw/zinc/53/46/12/357534612.db2.gz KIKCGZRCZSKXIK-ZDUSSCGKSA-N 2 2 293.415 1.191 50 0 CDAALP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000095389046 358692066 /nfs/dbraw/zinc/69/20/66/358692066.db2.gz RRHJGZUDBTVBEP-HNNXBMFYSA-N 2 2 293.386 1.640 50 0 CDAALP Cc1[nH+]cnc(N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c1C ZINC000102776870 358891094 /nfs/dbraw/zinc/89/10/94/358891094.db2.gz USSXYNUDHSOUES-WDNDVIMCSA-N 2 2 260.385 1.870 50 0 CDAALP CCCOCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222917872 359382610 /nfs/dbraw/zinc/38/26/10/359382610.db2.gz QJBUZSOYYPJNSX-UHFFFAOYSA-N 2 2 265.361 1.102 50 0 CDAALP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000000248224 359399849 /nfs/dbraw/zinc/39/98/49/359399849.db2.gz DHNVWVJYVSKEOI-LBPRGKRZSA-N 2 2 254.374 1.356 50 0 CDAALP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000000248224 359399854 /nfs/dbraw/zinc/39/98/54/359399854.db2.gz DHNVWVJYVSKEOI-LBPRGKRZSA-N 2 2 254.374 1.356 50 0 CDAALP Cn1c[nH+]cc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257316909 190032482 /nfs/dbraw/zinc/03/24/82/190032482.db2.gz VHNKXRAAHBQKNV-HUUCEWRRSA-N 2 2 273.336 1.044 50 0 CDAALP Cn1c[nH+]cc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257316909 190032483 /nfs/dbraw/zinc/03/24/83/190032483.db2.gz VHNKXRAAHBQKNV-HUUCEWRRSA-N 2 2 273.336 1.044 50 0 CDAALP c1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000020072927 285482227 /nfs/dbraw/zinc/48/22/27/285482227.db2.gz YBHAJIYLLVWXBK-AWEZNQCLSA-N 2 2 260.385 1.203 50 0 CDAALP CCCc1c[nH+]c(C)nc1NC[C@@H]1C[NH2+]CCOC1 ZINC000072134719 176322350 /nfs/dbraw/zinc/32/23/50/176322350.db2.gz HRBPQSXWJAXJFS-LBPRGKRZSA-N 2 2 264.373 1.385 50 0 CDAALP O[C@@H]1COCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000077320759 177252711 /nfs/dbraw/zinc/25/27/11/177252711.db2.gz OFVCMANMBHJEQI-KRWDZBQOSA-N 2 2 290.407 1.344 50 0 CDAALP O[C@@H]1COCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000077320759 177252713 /nfs/dbraw/zinc/25/27/13/177252713.db2.gz OFVCMANMBHJEQI-KRWDZBQOSA-N 2 2 290.407 1.344 50 0 CDAALP C[C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H]1C[NH3+] ZINC000179226509 274554313 /nfs/dbraw/zinc/55/43/13/274554313.db2.gz HARKAPMUXJLUDN-GXTWGEPZSA-N 2 2 299.378 1.467 50 0 CDAALP C[NH+](C)CC[n+]1ccc(C(=O)c2ccccc2)cc1 ZINC000005004647 276793683 /nfs/dbraw/zinc/79/36/83/276793683.db2.gz OFDUTPNOLJAYKU-UHFFFAOYSA-N 2 2 255.341 1.767 50 0 CDAALP CCO[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000534658719 328341348 /nfs/dbraw/zinc/34/13/48/328341348.db2.gz VFKZNSPODHJHPJ-HOTGVXAUSA-N 2 2 294.395 1.638 50 0 CDAALP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000195554338 342625934 /nfs/dbraw/zinc/62/59/34/342625934.db2.gz APQYKKFLZLHAJE-KGLIPLIRSA-N 2 2 277.368 1.435 50 0 CDAALP CN(Cc1nccs1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244647084 361854805 /nfs/dbraw/zinc/85/48/05/361854805.db2.gz GUUGDBVEHCMFMM-DTORHVGOSA-N 2 2 290.396 1.356 50 0 CDAALP C[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2cccc(OCCO)c2)C1 ZINC000091562757 180192831 /nfs/dbraw/zinc/19/28/31/180192831.db2.gz FDGGZPHEEVOWBU-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2cccc(OCCO)c2)C1 ZINC000091562757 180192832 /nfs/dbraw/zinc/19/28/32/180192832.db2.gz FDGGZPHEEVOWBU-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP C[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(OCCO)c2)C1 ZINC000091562757 180192833 /nfs/dbraw/zinc/19/28/33/180192833.db2.gz FDGGZPHEEVOWBU-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(OCCO)c2)C1 ZINC000091562757 180192835 /nfs/dbraw/zinc/19/28/35/180192835.db2.gz FDGGZPHEEVOWBU-JKSUJKDBSA-N 2 2 290.407 1.584 50 0 CDAALP c1[nH]cc(CC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC000065503327 363292999 /nfs/dbraw/zinc/29/29/99/363292999.db2.gz QYPAGXVZHQFHEQ-DZGCQCFKSA-N 3 2 262.401 1.806 50 0 CDAALP c1[nH]cc(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC000065503327 363293006 /nfs/dbraw/zinc/29/30/06/363293006.db2.gz QYPAGXVZHQFHEQ-DZGCQCFKSA-N 3 2 262.401 1.806 50 0 CDAALP c1[nH]c(CC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000065503327 363293011 /nfs/dbraw/zinc/29/30/11/363293011.db2.gz QYPAGXVZHQFHEQ-DZGCQCFKSA-N 3 2 262.401 1.806 50 0 CDAALP c1[nH]c(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000065503327 363293017 /nfs/dbraw/zinc/29/30/17/363293017.db2.gz QYPAGXVZHQFHEQ-DZGCQCFKSA-N 3 2 262.401 1.806 50 0 CDAALP CN(C)c1nc(NCCc2[nH]cc[nH+]2)c2c([nH+]1)CCCC2 ZINC000065404645 357538042 /nfs/dbraw/zinc/53/80/42/357538042.db2.gz RFEDUGHESPMVDS-UHFFFAOYSA-N 2 2 286.383 1.799 50 0 CDAALP Cc1nc(NCc2ccc[nH+]c2N)cc(C2CC[NH2+]CC2)n1 ZINC000067956233 357640790 /nfs/dbraw/zinc/64/07/90/357640790.db2.gz UVFKYVFYDINMJE-UHFFFAOYSA-N 2 2 298.394 1.841 50 0 CDAALP CCCc1[nH+]ccn1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000095438670 357869606 /nfs/dbraw/zinc/86/96/06/357869606.db2.gz RTOIJHSTFSBJHW-MJBXVCDLSA-N 2 2 281.400 1.306 50 0 CDAALP CCCc1[nH+]ccn1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000095438670 357869607 /nfs/dbraw/zinc/86/96/07/357869607.db2.gz RTOIJHSTFSBJHW-MJBXVCDLSA-N 2 2 281.400 1.306 50 0 CDAALP CC(C)[C@@H](NC(=O)C[NH+]1CCCC1)c1[nH+]ccn1C ZINC000222678355 359364379 /nfs/dbraw/zinc/36/43/79/359364379.db2.gz WMIQUPWJSRNUHS-CYBMUJFWSA-N 2 2 264.373 1.329 50 0 CDAALP CN(Cc1cccnc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222369673 359337635 /nfs/dbraw/zinc/33/76/35/359337635.db2.gz DHRUIBZUFVAUAP-UHFFFAOYSA-N 2 2 284.367 1.295 50 0 CDAALP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000113516561 359454471 /nfs/dbraw/zinc/45/44/71/359454471.db2.gz MRJMMBWGEOCFFY-HNNXBMFYSA-N 2 2 281.444 1.566 50 0 CDAALP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000113516561 359454477 /nfs/dbraw/zinc/45/44/77/359454477.db2.gz MRJMMBWGEOCFFY-HNNXBMFYSA-N 2 2 281.444 1.566 50 0 CDAALP Cc1cccn2cc(CC(=O)N3CC[N@@H+](C)C[C@H]3C)[nH+]c12 ZINC000089700373 360185952 /nfs/dbraw/zinc/18/59/52/360185952.db2.gz WIYGOQLPBTUDSW-CYBMUJFWSA-N 2 2 286.379 1.348 50 0 CDAALP Cc1cccn2cc(CC(=O)N3CC[N@H+](C)C[C@H]3C)[nH+]c12 ZINC000089700373 360185959 /nfs/dbraw/zinc/18/59/59/360185959.db2.gz WIYGOQLPBTUDSW-CYBMUJFWSA-N 2 2 286.379 1.348 50 0 CDAALP Cc1[nH]c2ccc(CNC(=O)[C@H](C)[NH+](C)C)cc2[nH+]1 ZINC000426510471 360677441 /nfs/dbraw/zinc/67/74/41/360677441.db2.gz VOOVOSMUXJWXMV-VIFPVBQESA-N 2 2 260.341 1.438 50 0 CDAALP Cc1[nH]c2cc(CNC(=O)[C@H](C)[NH+](C)C)ccc2[nH+]1 ZINC000426510471 360677444 /nfs/dbraw/zinc/67/74/44/360677444.db2.gz VOOVOSMUXJWXMV-VIFPVBQESA-N 2 2 260.341 1.438 50 0 CDAALP [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178547319 189125865 /nfs/dbraw/zinc/12/58/65/189125865.db2.gz MLWYFTSHBBNXSJ-YFCVBGDOSA-N 2 2 296.374 1.693 50 0 CDAALP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000097228404 390816674 /nfs/dbraw/zinc/81/66/74/390816674.db2.gz ZIRKEUWASJAMDP-FQUUOJAGSA-N 2 2 252.402 1.872 50 0 CDAALP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000097228404 390816675 /nfs/dbraw/zinc/81/66/75/390816675.db2.gz ZIRKEUWASJAMDP-FQUUOJAGSA-N 2 2 252.402 1.872 50 0 CDAALP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757669 424446466 /nfs/dbraw/zinc/44/64/66/424446466.db2.gz WRSPHRZEUDJINT-OKYAQOQYSA-N 2 2 268.401 1.156 50 0 CDAALP C[C@@H](CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOC(C)(C)C1 ZINC000089895460 278231744 /nfs/dbraw/zinc/23/17/44/278231744.db2.gz GBMDIPQUCZPBDT-AWEZNQCLSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@@H](CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOC(C)(C)C1 ZINC000089895460 278231745 /nfs/dbraw/zinc/23/17/45/278231745.db2.gz GBMDIPQUCZPBDT-AWEZNQCLSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@@H](CC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCOC(C)(C)C1 ZINC000089895460 278231746 /nfs/dbraw/zinc/23/17/46/278231746.db2.gz GBMDIPQUCZPBDT-AWEZNQCLSA-N 2 2 284.444 1.987 50 0 CDAALP C[C@@H](CC[NH+]1CCOC(C)(C)C1)[N@H+]1CCOC(C)(C)C1 ZINC000089895460 278231747 /nfs/dbraw/zinc/23/17/47/278231747.db2.gz GBMDIPQUCZPBDT-AWEZNQCLSA-N 2 2 284.444 1.987 50 0 CDAALP C[NH+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000022798655 289165066 /nfs/dbraw/zinc/16/50/66/289165066.db2.gz QXXLESWYFDJPFJ-NSHDSACASA-N 2 2 257.378 1.147 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC[NH+]1CCC(CO)CC1 ZINC000534637019 328334063 /nfs/dbraw/zinc/33/40/63/328334063.db2.gz VEETUCGVBNQIJM-CQSZACIVSA-N 3 2 294.443 1.128 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+](C)C[C@H](O)c1ccccc1 ZINC001506408954 975153042 /nfs/dbraw/zinc/15/30/42/975153042.db2.gz NZBDOGHNYIBHGL-AWEZNQCLSA-N 2 2 259.353 1.628 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+](C)C[C@H](O)c1ccccc1 ZINC001506408954 975153044 /nfs/dbraw/zinc/15/30/44/975153044.db2.gz NZBDOGHNYIBHGL-AWEZNQCLSA-N 2 2 259.353 1.628 50 0 CDAALP Cc1noc([C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)n1 ZINC000084286492 342260430 /nfs/dbraw/zinc/26/04/30/342260430.db2.gz CVUTVKYQGQIARJ-MWLCHTKSSA-N 2 2 261.329 1.803 50 0 CDAALP CO[C@H](C[NH2+]CCc1cc[nH+]cc1C)[C@H]1CCOC1 ZINC000585117413 362046531 /nfs/dbraw/zinc/04/65/31/362046531.db2.gz BKKSGWQSUHKYSX-LSDHHAIUSA-N 2 2 264.369 1.574 50 0 CDAALP CCC[C@@H](CNc1nc(NCC)cc[nH+]1)[NH+](C)C ZINC000584889562 349349040 /nfs/dbraw/zinc/34/90/40/349349040.db2.gz POWBMITYEQALLK-NSHDSACASA-N 2 2 251.378 1.473 50 0 CDAALP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C(C)C ZINC000091536102 180182157 /nfs/dbraw/zinc/18/21/57/180182157.db2.gz KSDWFVIKRKIUCC-OAHLLOKOSA-N 2 2 292.427 1.995 50 0 CDAALP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@H+]1C(C)C ZINC000091536102 180182159 /nfs/dbraw/zinc/18/21/59/180182159.db2.gz KSDWFVIKRKIUCC-OAHLLOKOSA-N 2 2 292.427 1.995 50 0 CDAALP CCCCn1cc[nH+]c1C1CC[NH+](CC(=O)NCC)CC1 ZINC000091656494 180217734 /nfs/dbraw/zinc/21/77/34/180217734.db2.gz QIXPJLBSAVOYQJ-UHFFFAOYSA-N 2 2 292.427 1.999 50 0 CDAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000022918996 356268851 /nfs/dbraw/zinc/26/88/51/356268851.db2.gz IMTNEWYWNBRNEN-JKSUJKDBSA-N 2 2 292.423 1.809 50 0 CDAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000022918996 356268854 /nfs/dbraw/zinc/26/88/54/356268854.db2.gz IMTNEWYWNBRNEN-JKSUJKDBSA-N 2 2 292.423 1.809 50 0 CDAALP C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097110951 357986845 /nfs/dbraw/zinc/98/68/45/357986845.db2.gz VUZZMUCDIAPGBP-CHWSQXEVSA-N 2 2 277.416 1.558 50 0 CDAALP C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110951 357986847 /nfs/dbraw/zinc/98/68/47/357986847.db2.gz VUZZMUCDIAPGBP-CHWSQXEVSA-N 2 2 277.416 1.558 50 0 CDAALP C[NH2+]CCCNC(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000095356003 358683999 /nfs/dbraw/zinc/68/39/99/358683999.db2.gz BJGRQKPLQWTFLN-CYBMUJFWSA-N 2 2 267.348 1.154 50 0 CDAALP Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c[nH+]1 ZINC000262450058 359170663 /nfs/dbraw/zinc/17/06/63/359170663.db2.gz RDCZMMMSVGSZQK-WCQGTBRESA-N 2 2 260.341 1.523 50 0 CDAALP [NH3+]C1CC(c2cc(NCCn3cc[nH+]c3)nc(C3CC3)n2)C1 ZINC000223474105 359429328 /nfs/dbraw/zinc/42/93/28/359429328.db2.gz NOZMCYMBTPZOMO-UHFFFAOYSA-N 2 2 298.394 1.867 50 0 CDAALP C[C@H](C(=O)N(C)CCCC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000426470857 360550526 /nfs/dbraw/zinc/55/05/26/360550526.db2.gz NTEDCXYGJWHJKT-CQSZACIVSA-N 2 2 294.399 1.015 50 0 CDAALP c1ccc2c(c1)CCO[C@H]2C[NH2+]CC[NH+]1CCCC1 ZINC000019367169 373878152 /nfs/dbraw/zinc/87/81/52/373878152.db2.gz QTKLXCLCMLIESY-INIZCTEOSA-N 2 2 260.381 1.986 50 0 biogenic CDAALP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H]3CCCO3)CC2)S1 ZINC000095409813 275852588 /nfs/dbraw/zinc/85/25/88/275852588.db2.gz SKGFRISVJCXRIT-GFCCVEGCSA-N 2 2 283.441 1.664 50 0 CDAALP C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000254950659 289346705 /nfs/dbraw/zinc/34/67/05/289346705.db2.gz NSQVXHDSSXLMRW-HJHHMULASA-N 2 2 296.374 1.706 50 0 CDAALP O=C1CC[C@H]([NH2+]CCc2[nH]cc[nH+]2)CN1Cc1ccccc1 ZINC000534649324 328343882 /nfs/dbraw/zinc/34/38/82/328343882.db2.gz JMDVFMVWHLRJLS-HNNXBMFYSA-N 2 2 298.390 1.733 50 0 CDAALP Cc1cc(C)[nH+]c(CN(C)C[C@]2(O)CCC[NH2+]C2)c1 ZINC000072417917 567901808 /nfs/dbraw/zinc/90/18/08/567901808.db2.gz MSUAXJGOKJINEC-HNNXBMFYSA-N 2 2 263.385 1.245 50 0 CDAALP Cc1cc(C)nc(C[N@@H+](C)C[C@]2(O)CCC[NH2+]C2)c1 ZINC000072417917 567901806 /nfs/dbraw/zinc/90/18/06/567901806.db2.gz MSUAXJGOKJINEC-HNNXBMFYSA-N 2 2 263.385 1.245 50 0 CDAALP Cc1cc(C)nc(C[N@H+](C)C[C@]2(O)CCC[NH2+]C2)c1 ZINC000072417917 567901807 /nfs/dbraw/zinc/90/18/07/567901807.db2.gz MSUAXJGOKJINEC-HNNXBMFYSA-N 2 2 263.385 1.245 50 0 CDAALP CCc1cc(NCCc2[nH]cc[nH+]2)nc(N(C)C)[nH+]1 ZINC001704297224 1177678681 /nfs/dbraw/zinc/67/86/81/1177678681.db2.gz KEXSPDCDLLDXAK-UHFFFAOYSA-N 2 2 260.345 1.483 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)C1(C)CC[NH+](C)CC1 ZINC000426503123 820002169 /nfs/dbraw/zinc/00/21/69/820002169.db2.gz INQBRICGLCLORA-UHFFFAOYSA-N 2 2 250.346 1.066 50 0 CDAALP CN(C)c1ncc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690444 925721913 /nfs/dbraw/zinc/72/19/13/925721913.db2.gz YBRDPBBZIVRXTC-AWEZNQCLSA-N 2 2 291.443 1.705 50 0 CDAALP CN(C)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690444 925721918 /nfs/dbraw/zinc/72/19/18/925721918.db2.gz YBRDPBBZIVRXTC-AWEZNQCLSA-N 2 2 291.443 1.705 50 0 CDAALP CN(C)c1ncc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)cn1 ZINC000823690444 925721927 /nfs/dbraw/zinc/72/19/27/925721927.db2.gz YBRDPBBZIVRXTC-AWEZNQCLSA-N 2 2 291.443 1.705 50 0 CDAALP CN(C)c1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)cn1 ZINC000823690444 925721932 /nfs/dbraw/zinc/72/19/32/925721932.db2.gz YBRDPBBZIVRXTC-AWEZNQCLSA-N 2 2 291.443 1.705 50 0 CDAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000824412473 925820349 /nfs/dbraw/zinc/82/03/49/925820349.db2.gz WIURQBOQQVXGCL-CQSZACIVSA-N 2 2 278.400 1.185 50 0 CDAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000824412473 925820360 /nfs/dbraw/zinc/82/03/60/925820360.db2.gz WIURQBOQQVXGCL-CQSZACIVSA-N 2 2 278.400 1.185 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cnc(C)nc2)C1 ZINC000824412473 925820370 /nfs/dbraw/zinc/82/03/70/925820370.db2.gz WIURQBOQQVXGCL-CQSZACIVSA-N 2 2 278.400 1.185 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000824412473 925820378 /nfs/dbraw/zinc/82/03/78/925820378.db2.gz WIURQBOQQVXGCL-CQSZACIVSA-N 2 2 278.400 1.185 50 0 CDAALP O=c1cc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)nc[nH]1 ZINC001506403609 975150530 /nfs/dbraw/zinc/15/05/30/975150530.db2.gz UPGDYSMAXFUFMS-ZDUSSCGKSA-N 2 2 287.367 1.648 50 0 CDAALP O=c1cc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)nc[nH]1 ZINC001506403609 975150533 /nfs/dbraw/zinc/15/05/33/975150533.db2.gz UPGDYSMAXFUFMS-ZDUSSCGKSA-N 2 2 287.367 1.648 50 0 CDAALP Cc1ccccc1CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000244884011 361869109 /nfs/dbraw/zinc/86/91/09/361869109.db2.gz YDNABISRXWXTNZ-CVEARBPZSA-N 2 2 287.407 1.438 50 0 CDAALP Cc1ccccc1CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000244884011 361869119 /nfs/dbraw/zinc/86/91/19/361869119.db2.gz YDNABISRXWXTNZ-CVEARBPZSA-N 2 2 287.407 1.438 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CC[NH+](C2CCSCC2)CC1 ZINC000252492068 362387170 /nfs/dbraw/zinc/38/71/70/362387170.db2.gz MBUAPAWEHFCBNN-UHFFFAOYSA-N 2 2 280.441 1.731 50 0 CDAALP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192061879 362611362 /nfs/dbraw/zinc/61/13/62/362611362.db2.gz YJLYZAYACUXXSQ-NSHDSACASA-N 2 2 287.371 1.603 50 0 CDAALP CC[NH+](CC)CCNc1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000065383783 357534634 /nfs/dbraw/zinc/53/46/34/357534634.db2.gz KIKCGZRCZSKXIK-CYBMUJFWSA-N 2 2 293.415 1.191 50 0 CDAALP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(F)c(F)c1F ZINC000067774378 357626153 /nfs/dbraw/zinc/62/61/53/357626153.db2.gz UWQDFQXINYUOKG-UHFFFAOYSA-N 2 2 287.285 1.384 50 0 CDAALP C[NH2+]CC(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067784678 357626329 /nfs/dbraw/zinc/62/63/29/357626329.db2.gz KRUUGKRBVRDYTR-UHFFFAOYSA-N 2 2 298.390 1.554 50 0 CDAALP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000097200739 358188511 /nfs/dbraw/zinc/18/85/11/358188511.db2.gz TVXLYYBEJFGTDP-CYBMUJFWSA-N 2 2 288.395 1.436 50 0 CDAALP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000097200739 358188513 /nfs/dbraw/zinc/18/85/13/358188513.db2.gz TVXLYYBEJFGTDP-CYBMUJFWSA-N 2 2 288.395 1.436 50 0 CDAALP c1cn(CCOc2ccccc2C[NH+]2CCOCC2)c[nH+]1 ZINC000215493204 358892302 /nfs/dbraw/zinc/89/23/02/358892302.db2.gz CFGLRMQLYUEASU-UHFFFAOYSA-N 2 2 287.363 1.794 50 0 CDAALP CC[C@@H]1c2[nH+]ccn2CCCN1C(=O)Cn1cc[nH+]c1C ZINC000257197281 359630268 /nfs/dbraw/zinc/63/02/68/359630268.db2.gz ZUEORHZBCHRZHI-CYBMUJFWSA-N 2 2 287.367 1.772 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCC[N@H+]1C ZINC000426612260 360587114 /nfs/dbraw/zinc/58/71/14/360587114.db2.gz FAXDSEFIZVYFDI-LLVKDONJSA-N 2 2 250.346 1.209 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCC[N@@H+]1C ZINC000426612260 360587116 /nfs/dbraw/zinc/58/71/16/360587116.db2.gz FAXDSEFIZVYFDI-LLVKDONJSA-N 2 2 250.346 1.209 50 0 CDAALP C[NH2+][C@@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000178593898 189129685 /nfs/dbraw/zinc/12/96/85/189129685.db2.gz SNXLLBFQUGGENC-GFCCVEGCSA-N 2 2 272.352 1.087 50 0 CDAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000089840206 366944258 /nfs/dbraw/zinc/94/42/58/366944258.db2.gz WVFMHTWNODRJPM-HOCLYGCPSA-N 2 2 284.444 1.748 50 0 CDAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000089840206 366944266 /nfs/dbraw/zinc/94/42/66/366944266.db2.gz WVFMHTWNODRJPM-HOCLYGCPSA-N 2 2 284.444 1.748 50 0 CDAALP CC(C)C[N@@H+]1CCO[C@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000192268913 371837421 /nfs/dbraw/zinc/83/74/21/371837421.db2.gz LWJMQQWRERJTGM-SNVBAGLBSA-N 2 2 299.806 1.481 50 0 CDAALP CC(C)C[N@H+]1CCO[C@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000192268913 371837426 /nfs/dbraw/zinc/83/74/26/371837426.db2.gz LWJMQQWRERJTGM-SNVBAGLBSA-N 2 2 299.806 1.481 50 0 CDAALP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000253370470 373679229 /nfs/dbraw/zinc/67/92/29/373679229.db2.gz RGQIXNORXCMUOF-CTASWTNQSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000253370470 373679236 /nfs/dbraw/zinc/67/92/36/373679236.db2.gz RGQIXNORXCMUOF-CTASWTNQSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000253370470 373679247 /nfs/dbraw/zinc/67/92/47/373679247.db2.gz RGQIXNORXCMUOF-CTASWTNQSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000253370470 373679254 /nfs/dbraw/zinc/67/92/54/373679254.db2.gz RGQIXNORXCMUOF-CTASWTNQSA-N 2 2 272.396 1.954 50 0 CDAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(N)ccc2n1C ZINC000006665053 170223751 /nfs/dbraw/zinc/22/37/51/170223751.db2.gz HQJQLFIHNFHAPM-UHFFFAOYSA-N 2 2 255.325 1.903 50 0 CDAALP CCCn1c2ccccc2[nH+]c1NCCN1CC[NH2+]CC1 ZINC000022542205 171390455 /nfs/dbraw/zinc/39/04/55/171390455.db2.gz AUCSRSXQEVZCNW-UHFFFAOYSA-N 2 2 287.411 1.763 50 0 CDAALP C[C@H](CCC(=O)N1CCCn2c[nH+]cc2C1)[NH+]1CCCC1 ZINC000072134713 298366115 /nfs/dbraw/zinc/36/61/15/298366115.db2.gz DFAQCQIUAYXZEQ-CQSZACIVSA-N 2 2 290.411 1.880 50 0 CDAALP FC(F)(F)c1noc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000534655135 328339486 /nfs/dbraw/zinc/33/94/86/328339486.db2.gz PAYOQCWPPKMYRQ-UHFFFAOYSA-N 2 2 290.289 1.664 50 0 CDAALP FC(F)(F)c1noc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000534655135 328339487 /nfs/dbraw/zinc/33/94/87/328339487.db2.gz PAYOQCWPPKMYRQ-UHFFFAOYSA-N 2 2 290.289 1.664 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)N[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000534675424 328356067 /nfs/dbraw/zinc/35/60/67/328356067.db2.gz HCVBCFBXJWTBKY-LBPRGKRZSA-N 2 2 279.388 1.344 50 0 CDAALP OC[C@H]1CCC[N@H+](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000670465049 483055234 /nfs/dbraw/zinc/05/52/34/483055234.db2.gz LYXTUQYOGOFMOR-NSHDSACASA-N 2 2 275.356 1.074 50 0 CDAALP OC[C@H]1CCC[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000670465049 483055238 /nfs/dbraw/zinc/05/52/38/483055238.db2.gz LYXTUQYOGOFMOR-NSHDSACASA-N 2 2 275.356 1.074 50 0 CDAALP Cc1cc(N[C@H]2CCC[N@H+](CCF)C2)nc(C)[nH+]1 ZINC000849478445 631556085 /nfs/dbraw/zinc/55/60/85/631556085.db2.gz UQRLYXOYUKHPOD-LBPRGKRZSA-N 2 2 252.337 1.939 50 0 CDAALP Cc1cc(N[C@H]2CCC[N@@H+](CCF)C2)nc(C)[nH+]1 ZINC000849478445 631556095 /nfs/dbraw/zinc/55/60/95/631556095.db2.gz UQRLYXOYUKHPOD-LBPRGKRZSA-N 2 2 252.337 1.939 50 0 CDAALP CC[C@H](C(=O)NCc1c[nH+]cn1CC)[N@H+](C)CC ZINC000823061364 925666721 /nfs/dbraw/zinc/66/67/21/925666721.db2.gz RQMUVSAJBYRIFJ-GFCCVEGCSA-N 2 2 252.362 1.250 50 0 CDAALP CC[C@H](C(=O)NCc1c[nH+]cn1CC)[N@@H+](C)CC ZINC000823061364 925666728 /nfs/dbraw/zinc/66/67/28/925666728.db2.gz RQMUVSAJBYRIFJ-GFCCVEGCSA-N 2 2 252.362 1.250 50 0 CDAALP CC(C)([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000095956839 185042676 /nfs/dbraw/zinc/04/26/76/185042676.db2.gz BBNHKAGNKRSARR-UHFFFAOYSA-N 2 2 262.357 1.035 50 0 CDAALP Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000253371030 282186067 /nfs/dbraw/zinc/18/60/67/282186067.db2.gz ZRASOMLHLUMZES-KCQAQPDRSA-N 2 2 290.411 1.863 50 0 CDAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1CCO[C@@H](C)C1 ZINC000249213675 362476616 /nfs/dbraw/zinc/47/66/16/362476616.db2.gz DIEPXTVZOYWYCS-GOEBONIOSA-N 2 2 292.427 1.377 50 0 CDAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1CCO[C@@H](C)C1 ZINC000249213675 362476621 /nfs/dbraw/zinc/47/66/21/362476621.db2.gz DIEPXTVZOYWYCS-GOEBONIOSA-N 2 2 292.427 1.377 50 0 CDAALP C[NH+]1CCC(OCCCNc2cc[nH+]cc2F)CC1 ZINC000584892305 349351823 /nfs/dbraw/zinc/35/18/23/349351823.db2.gz TYBWEFZJMUYKBR-UHFFFAOYSA-N 2 2 267.348 1.555 50 0 CDAALP CCc1ccc(C[N@@H+]2CC[C@](O)(C[NH+](C)C)C2)nc1 ZINC000072424646 357833917 /nfs/dbraw/zinc/83/39/17/357833917.db2.gz HBJXTUPMCQVPPL-HNNXBMFYSA-N 2 2 263.385 1.142 50 0 CDAALP CCc1ccc(C[N@H+]2CC[C@](O)(C[NH+](C)C)C2)nc1 ZINC000072424646 357833921 /nfs/dbraw/zinc/83/39/21/357833921.db2.gz HBJXTUPMCQVPPL-HNNXBMFYSA-N 2 2 263.385 1.142 50 0 CDAALP Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)cc(C)[nH+]1 ZINC000072448219 357837096 /nfs/dbraw/zinc/83/70/96/357837096.db2.gz IDSQQTMRHFQNPO-UHFFFAOYSA-N 2 2 285.395 1.754 50 0 CDAALP CCSC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072458316 357837257 /nfs/dbraw/zinc/83/72/57/357837257.db2.gz GWDQOKGORCKWMP-NSHDSACASA-N 2 2 282.413 1.196 50 0 CDAALP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000077423515 358018901 /nfs/dbraw/zinc/01/89/01/358018901.db2.gz CYTNZCSHHAQSLY-UHFFFAOYSA-N 2 2 288.395 1.216 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)[nH+]c1 ZINC000097200785 358188309 /nfs/dbraw/zinc/18/83/09/358188309.db2.gz QPPMUVPGNCNURM-QWHCGFSZSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)[nH+]c1 ZINC000097200785 358188312 /nfs/dbraw/zinc/18/83/12/358188312.db2.gz QPPMUVPGNCNURM-QWHCGFSZSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000195573488 358567493 /nfs/dbraw/zinc/56/74/93/358567493.db2.gz QRZKSAWDQYQKOK-ZDUSSCGKSA-N 2 2 272.352 1.957 50 0 CDAALP Cc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000195573488 358567495 /nfs/dbraw/zinc/56/74/95/358567495.db2.gz QRZKSAWDQYQKOK-ZDUSSCGKSA-N 2 2 272.352 1.957 50 0 CDAALP c1c[nH+]c(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)[nH]1 ZINC000097475656 358779158 /nfs/dbraw/zinc/77/91/58/358779158.db2.gz ZXHBPDRBJFVLGW-ZDUSSCGKSA-N 2 2 264.373 1.096 50 0 CDAALP [NH3+]C1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000030714521 283415639 /nfs/dbraw/zinc/41/56/39/283415639.db2.gz KYJCXQATHSBDPJ-AWEZNQCLSA-N 2 2 259.353 1.363 50 0 CDAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000426504677 360935994 /nfs/dbraw/zinc/93/59/94/360935994.db2.gz YEGGCJJVZDLXMN-NSHDSACASA-N 2 2 265.361 1.035 50 0 CDAALP CC(C)C(=O)NCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034992630 364520696 /nfs/dbraw/zinc/52/06/96/364520696.db2.gz MHUWGRRCWSIEPM-UHFFFAOYSA-N 2 2 286.379 1.734 50 0 CDAALP COCC[NH+]1[C@@H](C)CN(c2cccc(C)[nH+]2)C[C@@H]1C ZINC000097163390 390803266 /nfs/dbraw/zinc/80/32/66/390803266.db2.gz IFRIXEXQPVQJTF-KBPBESRZSA-N 2 2 263.385 1.935 50 0 CDAALP CCC(CC)c1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000071419286 176160473 /nfs/dbraw/zinc/16/04/73/176160473.db2.gz BYFVOVQKTAOTLX-CQSZACIVSA-N 2 2 292.427 1.984 50 0 CDAALP CCC(CC)c1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000071419286 176160475 /nfs/dbraw/zinc/16/04/75/176160475.db2.gz BYFVOVQKTAOTLX-CQSZACIVSA-N 2 2 292.427 1.984 50 0 CDAALP CC(C)Nc1ncc(C[N@@H+]2CCCn3c[nH+]cc3C2)cn1 ZINC000072143813 176323977 /nfs/dbraw/zinc/32/39/77/176323977.db2.gz UYYIRKOKYTZPTH-UHFFFAOYSA-N 2 2 286.383 1.899 50 0 CDAALP CC(C)Nc1ncc(C[N@H+]2CCCn3c[nH+]cc3C2)cn1 ZINC000072143813 176323979 /nfs/dbraw/zinc/32/39/79/176323979.db2.gz UYYIRKOKYTZPTH-UHFFFAOYSA-N 2 2 286.383 1.899 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000670440804 482985470 /nfs/dbraw/zinc/98/54/70/482985470.db2.gz KIQDCZIDMPWMBT-INIZCTEOSA-N 2 2 271.364 1.556 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000670440804 482985473 /nfs/dbraw/zinc/98/54/73/482985473.db2.gz KIQDCZIDMPWMBT-INIZCTEOSA-N 2 2 271.364 1.556 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC001506420145 975158478 /nfs/dbraw/zinc/15/84/78/975158478.db2.gz VZACJDMJCCKCFS-LBPRGKRZSA-N 2 2 284.367 1.667 50 0 CDAALP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124460448 187138344 /nfs/dbraw/zinc/13/83/44/187138344.db2.gz VYBHJWFRLGLMNT-GFCCVEGCSA-N 2 2 270.336 1.306 50 0 CDAALP CC(C)NC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065541065 361911717 /nfs/dbraw/zinc/91/17/17/361911717.db2.gz JBINIKVQVRJMCU-CQSZACIVSA-N 2 2 290.411 1.730 50 0 CDAALP CC(C)NC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065541065 361911725 /nfs/dbraw/zinc/91/17/25/361911725.db2.gz JBINIKVQVRJMCU-CQSZACIVSA-N 2 2 290.411 1.730 50 0 CDAALP COC(=O)c1ccc(C[NH2+]CCc2cc[nH+]cc2C)n1C ZINC000585117618 362046272 /nfs/dbraw/zinc/04/62/72/362046272.db2.gz NWRBAACUOLGTLJ-UHFFFAOYSA-N 2 2 287.363 1.847 50 0 CDAALP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccoc1C ZINC000585118098 362048212 /nfs/dbraw/zinc/04/82/12/362048212.db2.gz BHGUEYINFMNQOJ-CQSZACIVSA-N 2 2 254.374 1.770 50 0 CDAALP Cc1ccc2[nH]c(CCCNc3nc(N)cc[nH+]3)[nH+]c2c1C ZINC000584892329 349351712 /nfs/dbraw/zinc/35/17/12/349351712.db2.gz VAXKNQVDKYMKLW-UHFFFAOYSA-N 2 2 296.378 1.849 50 0 CDAALP Cc1ccc2[nH+]c(CCCNc3nc(N)cc[nH+]3)[nH]c2c1C ZINC000584892329 349351713 /nfs/dbraw/zinc/35/17/13/349351713.db2.gz VAXKNQVDKYMKLW-UHFFFAOYSA-N 2 2 296.378 1.849 50 0 CDAALP Cn1cncc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000112341691 356730448 /nfs/dbraw/zinc/73/04/48/356730448.db2.gz ADCANWJZDDAJKI-UHFFFAOYSA-N 2 2 250.390 1.773 50 0 CDAALP CCOC(=O)C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067641959 357616909 /nfs/dbraw/zinc/61/69/09/357616909.db2.gz NXGBFTFIQJRNAG-LBPRGKRZSA-N 2 2 251.330 1.158 50 0 CDAALP CCOC(=O)C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067641959 357616911 /nfs/dbraw/zinc/61/69/11/357616911.db2.gz NXGBFTFIQJRNAG-LBPRGKRZSA-N 2 2 251.330 1.158 50 0 CDAALP c1cn(CCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c[nH+]1 ZINC000082137762 358148644 /nfs/dbraw/zinc/14/86/44/358148644.db2.gz GTAZQRIVXMZHSW-CQSZACIVSA-N 2 2 279.384 1.591 50 0 CDAALP Nc1nc(NCC2(CO)CCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219392217 359094411 /nfs/dbraw/zinc/09/44/11/359094411.db2.gz ZKCGCIYHORJXOJ-UHFFFAOYSA-N 2 2 291.399 1.228 50 0 CDAALP C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000220738548 189724280 /nfs/dbraw/zinc/72/42/80/189724280.db2.gz BFZZWJLJFFEQQX-NSHDSACASA-N 2 2 252.362 1.311 50 0 CDAALP CO[C@H]1CN(Cc2[nH+]ccn2C(C)C)CC[C@H]1[NH3+] ZINC000071661957 286073476 /nfs/dbraw/zinc/07/34/76/286073476.db2.gz KIOPQNTTWSAMRZ-NEPJUHHUSA-N 2 2 252.362 1.012 50 0 CDAALP C[NH+]1CCC(N(Cc2[nH]cc[nH+]2)Cc2cccnc2)CC1 ZINC000072167210 176331978 /nfs/dbraw/zinc/33/19/78/176331978.db2.gz VOBPWBYPFYBSRB-UHFFFAOYSA-N 2 2 285.395 1.901 50 0 CDAALP Nc1ncccc1C[N@@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077379387 177260323 /nfs/dbraw/zinc/26/03/23/177260323.db2.gz XVXIUACZBBREIS-INIZCTEOSA-N 2 2 290.411 1.087 50 0 CDAALP Nc1ncccc1C[N@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077379387 177260326 /nfs/dbraw/zinc/26/03/26/177260326.db2.gz XVXIUACZBBREIS-INIZCTEOSA-N 2 2 290.411 1.087 50 0 CDAALP CC[N@H+](C)[C@@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000534586267 328315650 /nfs/dbraw/zinc/31/56/50/328315650.db2.gz JSTSCBCDPIRKPK-NSHDSACASA-N 2 2 267.377 1.281 50 0 CDAALP CC[N@@H+](C)[C@@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000534586267 328315651 /nfs/dbraw/zinc/31/56/51/328315651.db2.gz JSTSCBCDPIRKPK-NSHDSACASA-N 2 2 267.377 1.281 50 0 CDAALP Cc1c[nH]c([C@H](C)NC(=O)N(C)CCn2cc[nH+]c2C)[nH+]1 ZINC000534652956 328338349 /nfs/dbraw/zinc/33/83/49/328338349.db2.gz VBSGHSRAUIXCFC-NSHDSACASA-N 2 2 290.371 1.626 50 0 CDAALP CCc1c[nH+]c(C)nc1NCCC[N@@H+]1CCC[C@H](O)C1 ZINC000670446670 482998011 /nfs/dbraw/zinc/99/80/11/482998011.db2.gz NDDNRXRJIYHWRF-AWEZNQCLSA-N 2 2 278.400 1.606 50 0 CDAALP CCc1c[nH+]c(C)nc1NCCC[N@H+]1CCC[C@H](O)C1 ZINC000670446670 482998015 /nfs/dbraw/zinc/99/80/15/482998015.db2.gz NDDNRXRJIYHWRF-AWEZNQCLSA-N 2 2 278.400 1.606 50 0 CDAALP COc1ccccc1NC1=[NH+]C2(CCCC2)NC(=[NH2+])N1 ZINC000095393729 839369929 /nfs/dbraw/zinc/36/99/29/839369929.db2.gz ADNKJIOQXAHLOT-UHFFFAOYSA-N 2 2 273.340 1.861 50 0 CDAALP COc1cc(NCC2([NH+](C)C)CCCCC2)nc(N)[nH+]1 ZINC000952868044 910463560 /nfs/dbraw/zinc/46/35/60/910463560.db2.gz XFQXNMBMUPQQMX-UHFFFAOYSA-N 2 2 279.388 1.744 50 0 CDAALP c1cn(Cc2ccc(NC[C@@H]3CCC[NH2+]3)nc2)c[nH+]1 ZINC000820420491 925524519 /nfs/dbraw/zinc/52/45/19/925524519.db2.gz RLGDULYUKSOVGO-ZDUSSCGKSA-N 2 2 257.341 1.490 50 0 CDAALP C[C@H](CC[NH2+]Cc1cccc2c1OCO2)[NH+](C)C ZINC000585117160 930978433 /nfs/dbraw/zinc/97/84/33/930978433.db2.gz SNRSXRITNHKIGZ-LLVKDONJSA-N 2 2 250.342 1.845 50 0 CDAALP COCC[N@@H+]1CC[C@@H](CNc2cc(N)nc(SC)[nH+]2)C1 ZINC001529158728 968997960 /nfs/dbraw/zinc/99/79/60/968997960.db2.gz JSYHBCXRQBLDRR-JTQLQIEISA-N 2 2 297.428 1.161 50 0 CDAALP COCC[N@H+]1CC[C@@H](CNc2cc(N)nc(SC)[nH+]2)C1 ZINC001529158728 968997964 /nfs/dbraw/zinc/99/79/64/968997964.db2.gz JSYHBCXRQBLDRR-JTQLQIEISA-N 2 2 297.428 1.161 50 0 CDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C)CC1 ZINC000082155731 358149602 /nfs/dbraw/zinc/14/96/02/358149602.db2.gz JRFYSKKRPYOAGM-UHFFFAOYSA-N 2 2 277.416 1.703 50 0 CDAALP CC(C)[C@H](NC(=O)C[NH+]1CCCC1)c1[nH+]ccn1C ZINC000222678419 359364591 /nfs/dbraw/zinc/36/45/91/359364591.db2.gz WMIQUPWJSRNUHS-ZDUSSCGKSA-N 2 2 264.373 1.329 50 0 CDAALP Cc1cccn2cc(CC(=O)N3CC[N@@H+](C)C[C@@H]3C)[nH+]c12 ZINC000089700370 360186631 /nfs/dbraw/zinc/18/66/31/360186631.db2.gz WIYGOQLPBTUDSW-ZDUSSCGKSA-N 2 2 286.379 1.348 50 0 CDAALP Cc1cccn2cc(CC(=O)N3CC[N@H+](C)C[C@@H]3C)[nH+]c12 ZINC000089700370 360186637 /nfs/dbraw/zinc/18/66/37/360186637.db2.gz WIYGOQLPBTUDSW-ZDUSSCGKSA-N 2 2 286.379 1.348 50 0 CDAALP Cc1ccccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000095373384 374892741 /nfs/dbraw/zinc/89/27/41/374892741.db2.gz YPLILWTZLQGZRL-UHFFFAOYSA-N 2 2 262.397 1.884 50 0 CDAALP Cc1ccccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000095373384 374892748 /nfs/dbraw/zinc/89/27/48/374892748.db2.gz YPLILWTZLQGZRL-UHFFFAOYSA-N 2 2 262.397 1.884 50 0 CDAALP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000095422305 374923708 /nfs/dbraw/zinc/92/37/08/374923708.db2.gz WOMKCFSAAIHWEW-YOEHRIQHSA-N 2 2 293.430 1.982 50 0 CDAALP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000095422305 374923713 /nfs/dbraw/zinc/92/37/13/374923713.db2.gz WOMKCFSAAIHWEW-YOEHRIQHSA-N 2 2 293.430 1.982 50 0 CDAALP c1ccc(OCCC[NH+]2CCOCC2)c(C[NH+]2CCC2)c1 ZINC000215146684 390989469 /nfs/dbraw/zinc/98/94/69/390989469.db2.gz HHVJFAVVROYVIY-UHFFFAOYSA-N 2 2 290.407 1.993 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)N[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000534675423 328356186 /nfs/dbraw/zinc/35/61/86/328356186.db2.gz HCVBCFBXJWTBKY-GFCCVEGCSA-N 2 2 279.388 1.344 50 0 CDAALP CC[C@@H](C(=O)NCc1c[nH+]cn1CC)[N@H+](C)CC ZINC000823061367 925667779 /nfs/dbraw/zinc/66/77/79/925667779.db2.gz RQMUVSAJBYRIFJ-LBPRGKRZSA-N 2 2 252.362 1.250 50 0 CDAALP CC[C@@H](C(=O)NCc1c[nH+]cn1CC)[N@@H+](C)CC ZINC000823061367 925667783 /nfs/dbraw/zinc/66/77/83/925667783.db2.gz RQMUVSAJBYRIFJ-LBPRGKRZSA-N 2 2 252.362 1.250 50 0 CDAALP CCN(C)c1cc(NCCNc2cc[nH+]cc2C)[nH+]cn1 ZINC001529124987 968988766 /nfs/dbraw/zinc/98/87/66/968988766.db2.gz CTDHUIIXTGWMSH-UHFFFAOYSA-N 2 2 286.383 1.582 50 0 CDAALP CCN(C)c1cc(NCCNc2cc[nH+]cc2C)nc[nH+]1 ZINC001529124987 968988772 /nfs/dbraw/zinc/98/87/72/968988772.db2.gz CTDHUIIXTGWMSH-UHFFFAOYSA-N 2 2 286.383 1.582 50 0 CDAALP C[C@@H](C[N@H+](C)CCO)[NH2+]Cc1cnc2ccccc2c1 ZINC000584888932 349347097 /nfs/dbraw/zinc/34/70/97/349347097.db2.gz HCJWPRSNEMGYMV-ZDUSSCGKSA-N 2 2 273.380 1.637 50 0 CDAALP C[C@@H](C[N@@H+](C)CCO)[NH2+]Cc1cnc2ccccc2c1 ZINC000584888932 349347101 /nfs/dbraw/zinc/34/71/01/349347101.db2.gz HCJWPRSNEMGYMV-ZDUSSCGKSA-N 2 2 273.380 1.637 50 0 CDAALP [NH3+]CCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000019688191 356496076 /nfs/dbraw/zinc/49/60/76/356496076.db2.gz CEOASWXTZYXWTP-UHFFFAOYSA-N 2 2 285.794 1.946 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422079 357342074 /nfs/dbraw/zinc/34/20/74/357342074.db2.gz LGXAVSAEYBGXIJ-MRXNPFEDSA-N 2 2 274.408 1.854 50 0 CDAALP COCC[N@H+]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422079 357342078 /nfs/dbraw/zinc/34/20/78/357342078.db2.gz LGXAVSAEYBGXIJ-MRXNPFEDSA-N 2 2 274.408 1.854 50 0 CDAALP Cc1cccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000097163349 358004292 /nfs/dbraw/zinc/00/42/92/358004292.db2.gz ZCNNQUNJOGHLHP-HUUCEWRRSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1cccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000097163349 358004293 /nfs/dbraw/zinc/00/42/93/358004293.db2.gz ZCNNQUNJOGHLHP-HUUCEWRRSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1[nH+]cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)n1C ZINC000097527320 358782645 /nfs/dbraw/zinc/78/26/45/358782645.db2.gz NAUVFAMBLDGFAW-INIZCTEOSA-N 2 2 271.364 1.822 50 0 CDAALP Cc1[nH+]cc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)n1C ZINC000097527320 358782647 /nfs/dbraw/zinc/78/26/47/358782647.db2.gz NAUVFAMBLDGFAW-INIZCTEOSA-N 2 2 271.364 1.822 50 0 CDAALP Cc1cc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)c[nH+]c1N ZINC000426465123 360673158 /nfs/dbraw/zinc/67/31/58/360673158.db2.gz HKNIETGCDRFKDZ-UHFFFAOYSA-N 2 2 298.390 1.761 50 0 CDAALP Cc1[nH+]c(CNC(=O)CCC2CC[NH+](C)CC2)n(C)c1C ZINC000299801412 372771165 /nfs/dbraw/zinc/77/11/65/372771165.db2.gz YJLMWINDESAZGK-UHFFFAOYSA-N 2 2 292.427 1.775 50 0 CDAALP CCOCC[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C ZINC000242197005 391681261 /nfs/dbraw/zinc/68/12/61/391681261.db2.gz XGXKCPQKUZOIQW-GFCCVEGCSA-N 2 2 289.383 1.505 50 0 CDAALP CCOCC[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C ZINC000242197005 391681264 /nfs/dbraw/zinc/68/12/64/391681264.db2.gz XGXKCPQKUZOIQW-GFCCVEGCSA-N 2 2 289.383 1.505 50 0 CDAALP C[C@H]1CCCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000089929841 135061100 /nfs/dbraw/zinc/06/11/00/135061100.db2.gz WAHFVMYYARNGSH-ZDUSSCGKSA-N 2 2 275.400 1.465 50 0 CDAALP Cc1cc(NC2CC([NH+]3CCOCC3)C2)nc(C)[nH+]1 ZINC000585092420 482828885 /nfs/dbraw/zinc/82/88/85/482828885.db2.gz WCPKAZFJKVXSHW-UHFFFAOYSA-N 2 2 262.357 1.369 50 0 CDAALP CCCCc1[nH]c(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c[nH+]1 ZINC000426442984 698020991 /nfs/dbraw/zinc/02/09/91/698020991.db2.gz PXCPEGHIQJBNEX-NMWPEEMBSA-N 2 2 274.412 1.935 50 0 CDAALP CCCCc1[nH]cc(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)[nH+]1 ZINC000426442984 698020996 /nfs/dbraw/zinc/02/09/96/698020996.db2.gz PXCPEGHIQJBNEX-NMWPEEMBSA-N 2 2 274.412 1.935 50 0 CDAALP C[NH+]1CCC(NC[C@@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000823764772 925727888 /nfs/dbraw/zinc/72/78/88/925727888.db2.gz FIBDOQCWAGZSDB-KRWDZBQOSA-N 2 2 273.424 1.727 50 0 CDAALP C[NH+]1CCC(NC[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000823764772 925727893 /nfs/dbraw/zinc/72/78/93/925727893.db2.gz FIBDOQCWAGZSDB-KRWDZBQOSA-N 2 2 273.424 1.727 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccn1 ZINC000243900979 361830666 /nfs/dbraw/zinc/83/06/66/361830666.db2.gz AYBUVEGTFMFQMN-LBPRGKRZSA-N 2 2 287.367 1.546 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccn1 ZINC000243900979 361830677 /nfs/dbraw/zinc/83/06/77/361830677.db2.gz AYBUVEGTFMFQMN-LBPRGKRZSA-N 2 2 287.367 1.546 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000049235509 342282562 /nfs/dbraw/zinc/28/25/62/342282562.db2.gz CRTFTVMQSQEJND-LLVKDONJSA-N 2 2 283.335 1.298 50 0 CDAALP Cc1ncc(C[NH+]2CCC([N@H+](C)CCCO)CC2)s1 ZINC000084290606 362262725 /nfs/dbraw/zinc/26/27/25/362262725.db2.gz PDIZVFMIMVVXSA-UHFFFAOYSA-N 2 2 283.441 1.730 50 0 CDAALP Cc1ncc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)s1 ZINC000084290606 362262727 /nfs/dbraw/zinc/26/27/27/362262727.db2.gz PDIZVFMIMVVXSA-UHFFFAOYSA-N 2 2 283.441 1.730 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)[nH]1 ZINC000091724473 180241893 /nfs/dbraw/zinc/24/18/93/180241893.db2.gz CZJUPMNBPMAFNJ-DZGCQCFKSA-N 2 2 290.411 1.485 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)[nH]1 ZINC000091724473 180241900 /nfs/dbraw/zinc/24/19/00/180241900.db2.gz CZJUPMNBPMAFNJ-DZGCQCFKSA-N 2 2 290.411 1.485 50 0 CDAALP CCN(C)c1cc[nH+]c(N(C)CC[NH+]2CCCC2)n1 ZINC000065374020 357533175 /nfs/dbraw/zinc/53/31/75/357533175.db2.gz LXDUOXPMELUYBL-UHFFFAOYSA-N 2 2 263.389 1.465 50 0 CDAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000022924106 359142714 /nfs/dbraw/zinc/14/27/14/359142714.db2.gz MYZHMUCEOWWVOD-LSDHHAIUSA-N 2 2 278.396 1.500 50 0 CDAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000022924106 359142720 /nfs/dbraw/zinc/14/27/20/359142720.db2.gz MYZHMUCEOWWVOD-LSDHHAIUSA-N 2 2 278.396 1.500 50 0 CDAALP CC(C)[NH+]1CCC(C[N@@H+]2CCN3CC[NH+](C)C[C@H]3C2)CC1 ZINC000106251106 361595219 /nfs/dbraw/zinc/59/52/19/361595219.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH+]1CCC(C[N@H+]2CCN3CC[NH+](C)C[C@H]3C2)CC1 ZINC000106251106 361595225 /nfs/dbraw/zinc/59/52/25/361595225.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH+]1CCC(C[NH+]2CCN3CC[N@H+](C)C[C@H]3C2)CC1 ZINC000106251106 361595232 /nfs/dbraw/zinc/59/52/32/361595232.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 3 2 294.487 1.038 50 0 CDAALP CC(C)[NH+]1CCC(C[NH+]2CCN3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC000106251106 361595236 /nfs/dbraw/zinc/59/52/36/361595236.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 3 2 294.487 1.038 50 0 CDAALP CCOC(C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)OCC ZINC000253417107 373725879 /nfs/dbraw/zinc/72/58/79/373725879.db2.gz QBFKFYOKDYAHRC-STQMWFEESA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)OCC ZINC000253417107 373725887 /nfs/dbraw/zinc/72/58/87/373725887.db2.gz QBFKFYOKDYAHRC-STQMWFEESA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)OCC ZINC000253417107 373725894 /nfs/dbraw/zinc/72/58/94/373725894.db2.gz QBFKFYOKDYAHRC-STQMWFEESA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)OCC ZINC000253417107 373725902 /nfs/dbraw/zinc/72/59/02/373725902.db2.gz QBFKFYOKDYAHRC-STQMWFEESA-N 2 2 256.390 1.412 50 0 CDAALP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CSCCSC2)C1 ZINC000082137213 390838136 /nfs/dbraw/zinc/83/81/36/390838136.db2.gz BXHRGIDLDHTYJW-IUCAKERBSA-N 2 2 250.408 1.125 50 0 CDAALP Cc1cc(N2CCCCC2)nc(N2CC[NH2+]CC2)[nH+]1 ZINC000084625184 135033527 /nfs/dbraw/zinc/03/35/27/135033527.db2.gz FECISBKWOMSXPY-UHFFFAOYSA-N 2 2 261.373 1.185 50 0 CDAALP CCn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CCOC)C2)n1 ZINC000952968716 616031614 /nfs/dbraw/zinc/03/16/14/616031614.db2.gz FOIYWFBMNLMQGP-AWEZNQCLSA-N 2 2 280.416 1.351 50 0 CDAALP CCn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000952968716 616031617 /nfs/dbraw/zinc/03/16/17/616031617.db2.gz FOIYWFBMNLMQGP-AWEZNQCLSA-N 2 2 280.416 1.351 50 0 CDAALP C[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC000888098458 617761703 /nfs/dbraw/zinc/76/17/03/617761703.db2.gz IZRWISSKDWSCMR-RDJZCZTQSA-N 2 2 290.455 1.713 50 0 CDAALP C[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000888098458 617761710 /nfs/dbraw/zinc/76/17/10/617761710.db2.gz IZRWISSKDWSCMR-RDJZCZTQSA-N 2 2 290.455 1.713 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC(c2ccnc(N)n2)CC1 ZINC001506429343 975161731 /nfs/dbraw/zinc/16/17/31/975161731.db2.gz TVVBDYAUILCDJG-UHFFFAOYSA-N 2 2 286.383 1.214 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C(=O)N1CCCC1 ZINC000240128277 361747107 /nfs/dbraw/zinc/74/71/07/361747107.db2.gz IPIDKCQAOMETNL-GFCCVEGCSA-N 2 2 264.373 1.134 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C(=O)N1CCCC1 ZINC000240128277 361747109 /nfs/dbraw/zinc/74/71/09/361747109.db2.gz IPIDKCQAOMETNL-GFCCVEGCSA-N 2 2 264.373 1.134 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+]CCCc1cnn(C)c1 ZINC000585117110 362045306 /nfs/dbraw/zinc/04/53/06/362045306.db2.gz QYWJRJDQQDENDX-UHFFFAOYSA-N 2 2 258.369 1.888 50 0 CDAALP CCOCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2cccc(OC)c2)C1 ZINC000092037470 180310485 /nfs/dbraw/zinc/31/04/85/180310485.db2.gz RWYZWTYWEBPFCL-CABCVRRESA-N 2 2 264.369 1.458 50 0 CDAALP CCOCC[N@H+]1C[C@H]([NH3+])[C@@H](c2cccc(OC)c2)C1 ZINC000092037470 180310486 /nfs/dbraw/zinc/31/04/86/180310486.db2.gz RWYZWTYWEBPFCL-CABCVRRESA-N 2 2 264.369 1.458 50 0 CDAALP Cc1ccc(Nc2cc(N3CC[NH2+]CC3)nc[nH+]2)cc1 ZINC000026442138 356693426 /nfs/dbraw/zinc/69/34/26/356693426.db2.gz YHXJPXOZKJPOHL-UHFFFAOYSA-N 2 2 269.352 1.938 50 0 CDAALP CCCSc1ncc(C[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000055060732 357328482 /nfs/dbraw/zinc/32/84/82/357328482.db2.gz XSGDQKPKZZSCJI-GFCCVEGCSA-N 2 2 282.413 1.057 50 0 CDAALP C[C@@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000072172991 357515704 /nfs/dbraw/zinc/51/57/04/357515704.db2.gz WRVXAEMEHRWOKH-KBPBESRZSA-N 2 2 290.411 1.736 50 0 CDAALP C[C@@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000072172991 357515709 /nfs/dbraw/zinc/51/57/09/357515709.db2.gz WRVXAEMEHRWOKH-KBPBESRZSA-N 2 2 290.411 1.736 50 0 CDAALP Cc1[nH+]ccn1CCN(C)c1cc(NC2CC2)[nH+]c(N)n1 ZINC000065406300 357539127 /nfs/dbraw/zinc/53/91/27/357539127.db2.gz AUPPDJZAEJXMIE-UHFFFAOYSA-N 2 2 287.371 1.274 50 0 CDAALP Cc1[nH+]ccn1CCN(C)c1cc(NC2CC2)nc(N)[nH+]1 ZINC000065406300 357539130 /nfs/dbraw/zinc/53/91/30/357539130.db2.gz AUPPDJZAEJXMIE-UHFFFAOYSA-N 2 2 287.371 1.274 50 0 CDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072436300 357835537 /nfs/dbraw/zinc/83/55/37/357835537.db2.gz SLHAOCNIJZVKKP-CYBMUJFWSA-N 2 2 277.416 1.610 50 0 CDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072436300 357835541 /nfs/dbraw/zinc/83/55/41/357835541.db2.gz SLHAOCNIJZVKKP-CYBMUJFWSA-N 2 2 277.416 1.610 50 0 CDAALP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000426511834 360679060 /nfs/dbraw/zinc/67/90/60/360679060.db2.gz WIEPQGLZTNGIRD-OAHLLOKOSA-N 2 2 256.353 1.464 50 0 CDAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000426511834 360679065 /nfs/dbraw/zinc/67/90/65/360679065.db2.gz WIEPQGLZTNGIRD-OAHLLOKOSA-N 2 2 256.353 1.464 50 0 CDAALP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1Cl ZINC000094195520 363937646 /nfs/dbraw/zinc/93/76/46/363937646.db2.gz QTYLFVMBAFYLPO-JTQLQIEISA-N 2 2 255.749 1.868 50 0 CDAALP C[N@@H+](Cc1ccc(CO)o1)C[C@@]1(C)CC[NH+](C)C1 ZINC000670437739 482978465 /nfs/dbraw/zinc/97/84/65/482978465.db2.gz NZMQQVGOTQEAFW-AWEZNQCLSA-N 2 2 252.358 1.546 50 0 CDAALP C[NH+](Cc1ccc(CO)o1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000670437739 482978469 /nfs/dbraw/zinc/97/84/69/482978469.db2.gz NZMQQVGOTQEAFW-AWEZNQCLSA-N 2 2 252.358 1.546 50 0 CDAALP C[NH+](Cc1ccc(CO)o1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000670437739 482978479 /nfs/dbraw/zinc/97/84/79/482978479.db2.gz NZMQQVGOTQEAFW-AWEZNQCLSA-N 2 2 252.358 1.546 50 0 CDAALP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000253371002 373679421 /nfs/dbraw/zinc/67/94/21/373679421.db2.gz ZIRKEUWASJAMDP-DGAVXFQQSA-N 2 2 252.402 1.872 50 0 CDAALP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000253371002 373679429 /nfs/dbraw/zinc/67/94/29/373679429.db2.gz ZIRKEUWASJAMDP-DGAVXFQQSA-N 2 2 252.402 1.872 50 0 CDAALP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067742643 377235303 /nfs/dbraw/zinc/23/53/03/377235303.db2.gz MKSLQIWQPSVLOB-CQSZACIVSA-N 2 2 282.819 1.957 50 0 CDAALP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067742643 377235311 /nfs/dbraw/zinc/23/53/11/377235311.db2.gz MKSLQIWQPSVLOB-CQSZACIVSA-N 2 2 282.819 1.957 50 0 CDAALP C[NH2+]Cc1cn(Cc2[nH+]cc(C)c(OC)c2C)nn1 ZINC000090295631 483220033 /nfs/dbraw/zinc/22/00/33/483220033.db2.gz BASLWIVYASHVSJ-UHFFFAOYSA-N 2 2 261.329 1.066 50 0 CDAALP [NH3+][C@@H](C(=O)NCC1(Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC000071753949 256878744 /nfs/dbraw/zinc/87/87/44/256878744.db2.gz SQOIOPOEIXANFA-CQSZACIVSA-N 2 2 284.363 1.480 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(N(C)C)CCCC1 ZINC000534587354 328315985 /nfs/dbraw/zinc/31/59/85/328315985.db2.gz BFNPRFHZHYENNN-CYBMUJFWSA-N 2 2 250.390 1.736 50 0 CDAALP Cc1cc(C(N)=O)c(N(C)C[C@@H]2CCC[NH2+]C2)[nH+]c1C ZINC000534670145 328346937 /nfs/dbraw/zinc/34/69/37/328346937.db2.gz JYWMKXNTTXTSAJ-GFCCVEGCSA-N 2 2 276.384 1.233 50 0 CDAALP CN(CCC[C@H]1CCCO1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000534675296 328356081 /nfs/dbraw/zinc/35/60/81/328356081.db2.gz JVMGJPPIOSLDFD-HNNXBMFYSA-N 2 2 297.443 1.088 50 0 CDAALP CN(CCC[C@H]1CCCO1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000534675296 328356082 /nfs/dbraw/zinc/35/60/82/328356082.db2.gz JVMGJPPIOSLDFD-HNNXBMFYSA-N 2 2 297.443 1.088 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395364871 1159633381 /nfs/dbraw/zinc/63/33/81/1159633381.db2.gz YPCXKSDYQDOKOW-GFCCVEGCSA-N 2 2 251.374 1.446 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395364871 1159633385 /nfs/dbraw/zinc/63/33/85/1159633385.db2.gz YPCXKSDYQDOKOW-GFCCVEGCSA-N 2 2 251.374 1.446 50 0 CDAALP C[N@H+](Cc1ccc(CO)o1)C[C@@]1(C)CC[NH+](C)C1 ZINC000670437739 482978459 /nfs/dbraw/zinc/97/84/59/482978459.db2.gz NZMQQVGOTQEAFW-AWEZNQCLSA-N 2 2 252.358 1.546 50 0 CDAALP C[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2)CC1)[NH+](C)C ZINC000426689967 712000854 /nfs/dbraw/zinc/00/08/54/712000854.db2.gz VFTMCOAAPPZASI-GFCCVEGCSA-N 2 2 277.368 1.402 50 0 CDAALP Cc1c[nH+]c(N2CCO[C@@H](CC[NH+](C)C)C2)nc1N(C)C ZINC000012762647 921513487 /nfs/dbraw/zinc/51/34/87/921513487.db2.gz YRTUMDWUQYTBHY-ZDUSSCGKSA-N 2 2 293.415 1.008 50 0 CDAALP OC[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]cc1F ZINC000828710958 926169330 /nfs/dbraw/zinc/16/93/30/926169330.db2.gz RHYCFMJWYUEHTG-LBPRGKRZSA-N 2 2 267.348 1.291 50 0 CDAALP OC[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]cc1F ZINC000828710958 926169334 /nfs/dbraw/zinc/16/93/34/926169334.db2.gz RHYCFMJWYUEHTG-LBPRGKRZSA-N 2 2 267.348 1.291 50 0 CDAALP CCCCc1[nH]c(CN2CCOC[C@H](C[NH+](C)C)C2)c[nH+]1 ZINC000584900522 341999659 /nfs/dbraw/zinc/99/96/59/341999659.db2.gz OAKCLQXLXQVIQK-CQSZACIVSA-N 2 2 294.443 1.762 50 0 CDAALP CCCCc1[nH]cc(CN2CCOC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000584900522 341999660 /nfs/dbraw/zinc/99/96/60/341999660.db2.gz OAKCLQXLXQVIQK-CQSZACIVSA-N 2 2 294.443 1.762 50 0 CDAALP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000095967645 185047067 /nfs/dbraw/zinc/04/70/67/185047067.db2.gz UREMEBPFEBQKGD-DOMZBBRYSA-N 2 2 281.375 1.982 50 0 CDAALP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000095967645 185047068 /nfs/dbraw/zinc/04/70/68/185047068.db2.gz UREMEBPFEBQKGD-DOMZBBRYSA-N 2 2 281.375 1.982 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584896517 349358211 /nfs/dbraw/zinc/35/82/11/349358211.db2.gz LBXAKDMITGSSEB-CYBMUJFWSA-N 3 2 250.390 1.736 50 0 CDAALP Cc1[nH+]cnc(NCCC[N@@H+]2CCCC[C@H]2CO)c1C ZINC000091781036 180253817 /nfs/dbraw/zinc/25/38/17/180253817.db2.gz YJBRXXQFSCNQRV-AWEZNQCLSA-N 2 2 278.400 1.742 50 0 CDAALP Cc1[nH+]cnc(NCCC[N@H+]2CCCC[C@H]2CO)c1C ZINC000091781036 180253819 /nfs/dbraw/zinc/25/38/19/180253819.db2.gz YJBRXXQFSCNQRV-AWEZNQCLSA-N 2 2 278.400 1.742 50 0 CDAALP CC(C)[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000012486353 366001661 /nfs/dbraw/zinc/00/16/61/366001661.db2.gz CHVUJAJGNABIQT-UHFFFAOYSA-N 2 2 274.372 1.648 50 0 CDAALP [NH3+]C1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000114836764 350861820 /nfs/dbraw/zinc/86/18/20/350861820.db2.gz FYVPTKUQGAZWIY-DZGCQCFKSA-N 3 2 251.418 1.674 50 0 CDAALP [NH3+]C1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000114836764 350861822 /nfs/dbraw/zinc/86/18/22/350861822.db2.gz FYVPTKUQGAZWIY-DZGCQCFKSA-N 3 2 251.418 1.674 50 0 CDAALP [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255602091 356758882 /nfs/dbraw/zinc/75/88/82/356758882.db2.gz MLWYFTSHBBNXSJ-OMVNSRBRSA-N 2 2 296.374 1.693 50 0 CDAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC1CC1 ZINC000097200650 358188359 /nfs/dbraw/zinc/18/83/59/358188359.db2.gz KZEAABMUAZWRAO-CQSZACIVSA-N 2 2 288.395 1.342 50 0 CDAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC1CC1 ZINC000097200650 358188362 /nfs/dbraw/zinc/18/83/62/358188362.db2.gz KZEAABMUAZWRAO-CQSZACIVSA-N 2 2 288.395 1.342 50 0 CDAALP Cc1cnccc1CNC(=O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000219323432 359088368 /nfs/dbraw/zinc/08/83/68/359088368.db2.gz FSENUSCQVQIXPV-UHFFFAOYSA-N 2 2 290.411 1.032 50 0 CDAALP Cc1cnccc1CNC(=O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000219323432 359088374 /nfs/dbraw/zinc/08/83/74/359088374.db2.gz FSENUSCQVQIXPV-UHFFFAOYSA-N 2 2 290.411 1.032 50 0 CDAALP CCC[NH+]1CCC([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000000221721 359333129 /nfs/dbraw/zinc/33/31/29/359333129.db2.gz SYFPLGLJWXUTNV-UHFFFAOYSA-N 3 2 253.434 1.887 50 0 CDAALP CCC[NH+]1CCC([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000000221721 359333134 /nfs/dbraw/zinc/33/31/34/359333134.db2.gz SYFPLGLJWXUTNV-UHFFFAOYSA-N 3 2 253.434 1.887 50 0 CDAALP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCC[NH2+]CC3)cn2c1 ZINC000299785783 372761997 /nfs/dbraw/zinc/76/19/97/372761997.db2.gz NWJPAMYZANYOGZ-CYBMUJFWSA-N 2 2 286.379 1.649 50 0 CDAALP C[N@H+](C[C@H](O)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000003418304 375688101 /nfs/dbraw/zinc/68/81/01/375688101.db2.gz LBWUCHVKOIBUER-HNNXBMFYSA-N 2 2 278.396 1.452 50 0 CDAALP C[N@@H+](C[C@H](O)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000003418304 375688108 /nfs/dbraw/zinc/68/81/08/375688108.db2.gz LBWUCHVKOIBUER-HNNXBMFYSA-N 2 2 278.396 1.452 50 0 CDAALP CCNC(=O)C[N@@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000252485900 570270580 /nfs/dbraw/zinc/27/05/80/570270580.db2.gz BXXHIUKYTMFACF-ZOBUZTSGSA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[N@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000252485900 570270581 /nfs/dbraw/zinc/27/05/81/570270581.db2.gz BXXHIUKYTMFACF-ZOBUZTSGSA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[NH+]1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000252485900 570270582 /nfs/dbraw/zinc/27/05/82/570270582.db2.gz BXXHIUKYTMFACF-ZOBUZTSGSA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[NH+]1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000252485900 570270583 /nfs/dbraw/zinc/27/05/83/570270583.db2.gz BXXHIUKYTMFACF-ZOBUZTSGSA-N 2 2 287.407 1.357 50 0 CDAALP Cn1c[nH+]cc1/C=C\C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000888096415 617758345 /nfs/dbraw/zinc/75/83/45/617758345.db2.gz FYYIGYINJOFYKR-PLNGDYQASA-N 2 2 282.347 1.353 50 0 CDAALP C[C@@H](C(=O)N(C)CC[NH+]1CCCCCC1)n1cc[nH+]c1 ZINC000426646956 902879830 /nfs/dbraw/zinc/87/98/30/902879830.db2.gz BYWUNKXEZRWRDL-AWEZNQCLSA-N 2 2 278.400 1.779 50 0 CDAALP Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)[nH+]c1 ZINC000200514436 929253960 /nfs/dbraw/zinc/25/39/60/929253960.db2.gz FUVKTZLGOASCRJ-OAHLLOKOSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1ccc(N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)[nH+]c1 ZINC000200514436 929253970 /nfs/dbraw/zinc/25/39/70/929253970.db2.gz FUVKTZLGOASCRJ-OAHLLOKOSA-N 2 2 275.396 1.816 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC001506402977 975150258 /nfs/dbraw/zinc/15/02/58/975150258.db2.gz MXVXEKHXBQCASP-UHFFFAOYSA-N 2 2 285.391 1.946 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3C[C@H](C)OC3=O)C2)[nH+]c1 ZINC000097200821 342217030 /nfs/dbraw/zinc/21/70/30/342217030.db2.gz VSASMZSSGSEMJL-MELADBBJSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@H+]([C@@H]3C[C@H](C)OC3=O)C2)[nH+]c1 ZINC000097200821 342217031 /nfs/dbraw/zinc/21/70/31/342217031.db2.gz VSASMZSSGSEMJL-MELADBBJSA-N 2 2 289.379 1.828 50 0 CDAALP CC(C)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000000393552 355908520 /nfs/dbraw/zinc/90/85/20/355908520.db2.gz MSWWMXGLWBQMNG-UHFFFAOYSA-N 2 2 275.396 1.505 50 0 in-vitro CDAALP Oc1ccc[n+](CCCCC[n+]2cccc(O)c2)c1 ZINC000001816299 355953141 /nfs/dbraw/zinc/95/31/41/355953141.db2.gz KVCVAKSDAGURFJ-UHFFFAOYSA-P 2 2 260.337 1.543 50 0 CDAALP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000019147963 356476505 /nfs/dbraw/zinc/47/65/05/356476505.db2.gz OSJDPBSAWVMZTQ-CQSZACIVSA-N 2 2 290.411 1.638 50 0 CDAALP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000019147963 356476507 /nfs/dbraw/zinc/47/65/07/356476507.db2.gz OSJDPBSAWVMZTQ-CQSZACIVSA-N 2 2 290.411 1.638 50 0 CDAALP CC(C)N1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000096473737 357482788 /nfs/dbraw/zinc/48/27/88/357482788.db2.gz FUQWQPNUCJXDOR-OAHLLOKOSA-N 2 2 288.395 1.213 50 0 CDAALP CCNc1cc[nH+]c(N(C)Cc2[nH+]ccn2CC)n1 ZINC000065399363 357537998 /nfs/dbraw/zinc/53/79/98/357537998.db2.gz BGAAUEUXSVYYFO-UHFFFAOYSA-N 2 2 260.345 1.761 50 0 CDAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C[NH3+] ZINC000067742671 357623240 /nfs/dbraw/zinc/62/32/40/357623240.db2.gz GMARADAPMYODLG-UHFFFAOYSA-N 2 2 284.363 1.293 50 0 CDAALP C[NH2+]CCCNC(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000095356004 358683287 /nfs/dbraw/zinc/68/32/87/358683287.db2.gz BJGRQKPLQWTFLN-ZDUSSCGKSA-N 2 2 267.348 1.154 50 0 CDAALP Cc1[nH+]c[nH]c1CN1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000097480390 358780241 /nfs/dbraw/zinc/78/02/41/358780241.db2.gz XAAFQBKDNDOPEW-CQSZACIVSA-N 2 2 278.400 1.405 50 0 CDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000102327727 358874795 /nfs/dbraw/zinc/87/47/95/358874795.db2.gz LRZCICJOXANPID-WDNDVIMCSA-N 2 2 288.395 1.074 50 0 CDAALP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000222199110 359341555 /nfs/dbraw/zinc/34/15/55/359341555.db2.gz QBQYGQJINRHXCR-FRRDWIJNSA-N 2 2 275.352 1.519 50 0 CDAALP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000222199110 359341559 /nfs/dbraw/zinc/34/15/59/359341559.db2.gz QBQYGQJINRHXCR-FRRDWIJNSA-N 2 2 275.352 1.519 50 0 CDAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1O ZINC000426475559 360569709 /nfs/dbraw/zinc/56/97/09/360569709.db2.gz RDUBEZHMWLMHOV-HUUCEWRRSA-N 2 2 290.338 1.980 50 0 CDAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1O ZINC000426475559 360569715 /nfs/dbraw/zinc/56/97/15/360569715.db2.gz RDUBEZHMWLMHOV-HUUCEWRRSA-N 2 2 290.338 1.980 50 0 CDAALP Cc1nc(NCC[NH+]2CCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426549139 360683526 /nfs/dbraw/zinc/68/35/26/360683526.db2.gz KKDYBHGNJVCXJT-CYBMUJFWSA-N 2 2 276.384 1.219 50 0 CDAALP c1ccc2c(c1)CCO[C@@H]2C[NH2+]CC[NH+]1CCCC1 ZINC000019367170 374730058 /nfs/dbraw/zinc/73/00/58/374730058.db2.gz QTKLXCLCMLIESY-MRXNPFEDSA-N 2 2 260.381 1.986 50 0 biogenic CDAALP [NH3+]C1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000030714516 390278045 /nfs/dbraw/zinc/27/80/45/390278045.db2.gz KYJCXQATHSBDPJ-CQSZACIVSA-N 2 2 259.353 1.363 50 0 CDAALP CCC(=O)NCCNc1cc(-n2cc[nH+]c2C)nc(C)[nH+]1 ZINC000035598068 172287279 /nfs/dbraw/zinc/28/72/79/172287279.db2.gz YZPCERRUXLSKNT-UHFFFAOYSA-N 2 2 288.355 1.217 50 0 CDAALP Cc1ccc([C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2[NH3+])o1 ZINC000091636286 281001994 /nfs/dbraw/zinc/00/19/94/281001994.db2.gz CURWNNDVKNPJAQ-STQMWFEESA-N 2 2 250.342 1.494 50 0 CDAALP Cc1ccc([C@H]2C[N@H+](C3CCOCC3)C[C@@H]2[NH3+])o1 ZINC000091636286 281001997 /nfs/dbraw/zinc/00/19/97/281001997.db2.gz CURWNNDVKNPJAQ-STQMWFEESA-N 2 2 250.342 1.494 50 0 CDAALP C[C@H](Cn1cncn1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000534642754 328329179 /nfs/dbraw/zinc/32/91/79/328329179.db2.gz FIMBPDPPORDROO-CYBMUJFWSA-N 2 2 298.394 1.776 50 0 CDAALP Cc1ccc2[nH]c(CCCNC(=O)[C@@H]3C=CC[NH2+]3)[nH+]c2c1C ZINC000534663425 328351266 /nfs/dbraw/zinc/35/12/66/328351266.db2.gz MHSYKGDLGIQTDF-AWEZNQCLSA-N 2 2 298.390 1.757 50 0 CDAALP Cc1[nH+]c(CN2CCOC[C@H](C[NH+](C)C)C2)n(C)c1C ZINC000670441055 482985340 /nfs/dbraw/zinc/98/53/40/482985340.db2.gz IKSZUGMYKCTNJA-CQSZACIVSA-N 2 2 280.416 1.047 50 0 CDAALP CCOC1CC[NH+](Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000243885756 535399248 /nfs/dbraw/zinc/39/92/48/535399248.db2.gz ABYPMTYCJBTXEO-HAQNSBGRSA-N 2 2 293.415 1.021 50 0 CDAALP Cc1cc(N[C@@H]2CCC[N@H+](CCF)C2)nc(C)[nH+]1 ZINC000849478440 631555535 /nfs/dbraw/zinc/55/55/35/631555535.db2.gz UQRLYXOYUKHPOD-GFCCVEGCSA-N 2 2 252.337 1.939 50 0 CDAALP Cc1cc(N[C@@H]2CCC[N@@H+](CCF)C2)nc(C)[nH+]1 ZINC000849478440 631555541 /nfs/dbraw/zinc/55/55/41/631555541.db2.gz UQRLYXOYUKHPOD-GFCCVEGCSA-N 2 2 252.337 1.939 50 0 CDAALP OC[C@H]1CCC[N@H+](CCCNc2cc[nH+]cc2F)C1 ZINC000828711233 926169307 /nfs/dbraw/zinc/16/93/07/926169307.db2.gz TUNMYTQNDYRSMX-LBPRGKRZSA-N 2 2 267.348 1.149 50 0 CDAALP OC[C@H]1CCC[N@@H+](CCCNc2cc[nH+]cc2F)C1 ZINC000828711233 926169309 /nfs/dbraw/zinc/16/93/09/926169309.db2.gz TUNMYTQNDYRSMX-LBPRGKRZSA-N 2 2 267.348 1.149 50 0 CDAALP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H](C2)C1)C1CC[NH2+]CC1 ZINC000584895179 349355019 /nfs/dbraw/zinc/35/50/19/349355019.db2.gz GKOSXSANFCFCOW-OKILXGFUSA-N 2 2 279.428 1.319 50 0 CDAALP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@@H](C2)C1)C1CC[NH2+]CC1 ZINC000584895179 349355021 /nfs/dbraw/zinc/35/50/21/349355021.db2.gz GKOSXSANFCFCOW-OKILXGFUSA-N 2 2 279.428 1.319 50 0 CDAALP C[C@H](CN(C)c1[nH+]cnc2[nH]ccc21)[NH+]1CCOCC1 ZINC000065456401 363277616 /nfs/dbraw/zinc/27/76/16/363277616.db2.gz UAKNEWCXIOJCIE-LLVKDONJSA-N 2 2 275.356 1.115 50 0 CDAALP CCc1c[nH+]c(C)nc1N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000071765237 357780174 /nfs/dbraw/zinc/78/01/74/357780174.db2.gz GHNZXRUZFWKXHU-AWEZNQCLSA-N 2 2 278.400 1.504 50 0 CDAALP Cc1nn(CCO)cc1C[N@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072430389 357834836 /nfs/dbraw/zinc/83/48/36/357834836.db2.gz CXZSYBOGZVZBSP-INIZCTEOSA-N 2 2 294.443 1.490 50 0 CDAALP Cc1nn(CCO)cc1C[N@@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072430389 357834839 /nfs/dbraw/zinc/83/48/39/357834839.db2.gz CXZSYBOGZVZBSP-INIZCTEOSA-N 2 2 294.443 1.490 50 0 CDAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCC1CC1 ZINC000097200649 358188725 /nfs/dbraw/zinc/18/87/25/358188725.db2.gz KZEAABMUAZWRAO-AWEZNQCLSA-N 2 2 288.395 1.342 50 0 CDAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCC1CC1 ZINC000097200649 358188727 /nfs/dbraw/zinc/18/87/27/358188727.db2.gz KZEAABMUAZWRAO-AWEZNQCLSA-N 2 2 288.395 1.342 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095391562 358692136 /nfs/dbraw/zinc/69/21/36/358692136.db2.gz NCJXBJXWCFRDNR-OAHLLOKOSA-N 2 2 298.390 1.849 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095391562 358692139 /nfs/dbraw/zinc/69/21/39/358692139.db2.gz NCJXBJXWCFRDNR-OAHLLOKOSA-N 2 2 298.390 1.849 50 0 CDAALP CC1(C)Cc2cc(C[N@@H+]3CC[NH2+]C[C@H](O)C3)ccc2O1 ZINC000097394220 358772879 /nfs/dbraw/zinc/77/28/79/358772879.db2.gz LTPXIQPFXNFCGD-AWEZNQCLSA-N 2 2 276.380 1.166 50 0 CDAALP CC1(C)Cc2cc(C[N@H+]3CC[NH2+]C[C@H](O)C3)ccc2O1 ZINC000097394220 358772882 /nfs/dbraw/zinc/77/28/82/358772882.db2.gz LTPXIQPFXNFCGD-AWEZNQCLSA-N 2 2 276.380 1.166 50 0 CDAALP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)nc1 ZINC000215485705 358890797 /nfs/dbraw/zinc/89/07/97/358890797.db2.gz ROESBPAAMSFGEH-QGZVFWFLSA-N 2 2 288.439 1.466 50 0 CDAALP C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000178336569 189107850 /nfs/dbraw/zinc/10/78/50/189107850.db2.gz DITUIKLYLUKOJW-GFCCVEGCSA-N 2 2 272.352 1.406 50 0 CDAALP Cc1ccc(NC(=O)NCC[NH+](C)C)c(N(C)C)[nH+]1 ZINC000097052279 541882203 /nfs/dbraw/zinc/88/22/03/541882203.db2.gz GNKGSAKJWSTZNM-UHFFFAOYSA-N 2 2 265.361 1.139 50 0 CDAALP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000253398493 373686668 /nfs/dbraw/zinc/68/66/68/373686668.db2.gz UKHJZGFHMQZQAB-CABCVRRESA-N 2 2 292.427 1.320 50 0 CDAALP C[C@@H]1CN(CC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000253398493 373686679 /nfs/dbraw/zinc/68/66/79/373686679.db2.gz UKHJZGFHMQZQAB-CABCVRRESA-N 2 2 292.427 1.320 50 0 CDAALP COCC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000096456184 533343073 /nfs/dbraw/zinc/34/30/73/533343073.db2.gz YSRRIUOVNUDCFA-CYBMUJFWSA-N 2 2 264.373 1.616 50 0 CDAALP COCC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000096456184 533343079 /nfs/dbraw/zinc/34/30/79/533343079.db2.gz YSRRIUOVNUDCFA-CYBMUJFWSA-N 2 2 264.373 1.616 50 0 CDAALP c1ccc([C@@H]2C[NH2+]C[C@H]2COc2cc[nH+]cc2)nc1 ZINC000253395493 397603953 /nfs/dbraw/zinc/60/39/53/397603953.db2.gz ALNDCZGWDLOXQF-GXTWGEPZSA-N 2 2 255.321 1.859 50 0 CDAALP C[C@H]1C[NH2+]CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000097162635 397981331 /nfs/dbraw/zinc/98/13/31/397981331.db2.gz XMRSIAUBHYTSKP-NSHDSACASA-N 2 2 262.382 1.728 50 0 CDAALP COc1cc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)ccc1F ZINC000020449503 171207617 /nfs/dbraw/zinc/20/76/17/171207617.db2.gz WTUQHZBZUUWPKF-AWEZNQCLSA-N 2 2 296.386 1.987 50 0 CDAALP COc1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)ccc1F ZINC000020449503 171207618 /nfs/dbraw/zinc/20/76/18/171207618.db2.gz WTUQHZBZUUWPKF-AWEZNQCLSA-N 2 2 296.386 1.987 50 0 CDAALP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCCn2c[nH+]cc2C1 ZINC000072143752 176324145 /nfs/dbraw/zinc/32/41/45/176324145.db2.gz XSIIMCMVCLBVAD-HNNXBMFYSA-N 2 2 290.411 1.913 50 0 CDAALP Cc1cc(C)nc(C[N@@H+](C)C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000072417918 567901794 /nfs/dbraw/zinc/90/17/94/567901794.db2.gz MSUAXJGOKJINEC-OAHLLOKOSA-N 2 2 263.385 1.245 50 0 CDAALP Cc1cc(C)nc(C[N@H+](C)C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000072417918 567901795 /nfs/dbraw/zinc/90/17/95/567901795.db2.gz MSUAXJGOKJINEC-OAHLLOKOSA-N 2 2 263.385 1.245 50 0 CDAALP Cc1cc(C)[nH+]c(CN(C)C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000072417918 567901796 /nfs/dbraw/zinc/90/17/96/567901796.db2.gz MSUAXJGOKJINEC-OAHLLOKOSA-N 2 2 263.385 1.245 50 0 CDAALP Nc1[nH+]cccc1CNC(=O)CSCC[NH+]1CCCC1 ZINC000828029714 926026481 /nfs/dbraw/zinc/02/64/81/926026481.db2.gz YAOHVWCWCZMPRL-UHFFFAOYSA-N 2 2 294.424 1.109 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2C)C1 ZINC001529100434 968982044 /nfs/dbraw/zinc/98/20/44/968982044.db2.gz SIRJRKSNJPBDNE-HNNXBMFYSA-N 2 2 277.412 1.790 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2C)C1 ZINC001529100434 968982049 /nfs/dbraw/zinc/98/20/49/968982049.db2.gz SIRJRKSNJPBDNE-HNNXBMFYSA-N 2 2 277.412 1.790 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2C)C1 ZINC001529100434 968982054 /nfs/dbraw/zinc/98/20/54/968982054.db2.gz SIRJRKSNJPBDNE-HNNXBMFYSA-N 2 2 277.412 1.790 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2C)C1 ZINC001529100434 968982057 /nfs/dbraw/zinc/98/20/57/968982057.db2.gz SIRJRKSNJPBDNE-HNNXBMFYSA-N 2 2 277.412 1.790 50 0 CDAALP O=C(C1CCC1)N1CCC([NH2+]CCc2[nH]cc[nH+]2)CC1 ZINC001506416106 975155909 /nfs/dbraw/zinc/15/59/09/975155909.db2.gz ULOGYPMNQLCHCI-UHFFFAOYSA-N 2 2 276.384 1.333 50 0 CDAALP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)[nH]1 ZINC000095940817 185035829 /nfs/dbraw/zinc/03/58/29/185035829.db2.gz RJJXGQARFGJMQW-CYBMUJFWSA-N 2 2 288.351 1.662 50 0 CDAALP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)[nH]1 ZINC000095940817 185035830 /nfs/dbraw/zinc/03/58/30/185035830.db2.gz RJJXGQARFGJMQW-CYBMUJFWSA-N 2 2 288.351 1.662 50 0 CDAALP C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000003880959 356012318 /nfs/dbraw/zinc/01/23/18/356012318.db2.gz CFDWJPMGCABITD-UHFFFAOYSA-N 2 2 250.342 1.117 50 0 CDAALP CCCn1ncc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)c1C ZINC000012705994 356318808 /nfs/dbraw/zinc/31/88/08/356318808.db2.gz VUAPWLMUBVPRTD-INIZCTEOSA-N 2 2 294.443 1.754 50 0 CDAALP CCCn1ncc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)c1C ZINC000012705994 356318813 /nfs/dbraw/zinc/31/88/13/356318813.db2.gz VUAPWLMUBVPRTD-INIZCTEOSA-N 2 2 294.443 1.754 50 0 CDAALP Clc1ccc2[nH+]c(CN3CC[NH2+]CC3)cn2c1 ZINC000036946271 356891080 /nfs/dbraw/zinc/89/10/80/356891080.db2.gz DRBMDERIBMPMQG-UHFFFAOYSA-N 2 2 250.733 1.393 50 0 CDAALP Cc1cnn(CC[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000089702508 366915535 /nfs/dbraw/zinc/91/55/35/366915535.db2.gz QYPNPOVDRDIFTH-UHFFFAOYSA-N 2 2 255.325 1.629 50 0 CDAALP CC1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000089929938 366970789 /nfs/dbraw/zinc/97/07/89/366970789.db2.gz SNWRPUNGLVWYQO-UHFFFAOYSA-N 2 2 278.400 1.464 50 0 CDAALP CC1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000089929938 366970796 /nfs/dbraw/zinc/97/07/96/366970796.db2.gz SNWRPUNGLVWYQO-UHFFFAOYSA-N 2 2 278.400 1.464 50 0 CDAALP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000253371004 373679899 /nfs/dbraw/zinc/67/98/99/373679899.db2.gz ZIRKEUWASJAMDP-REWJHTLYSA-N 2 2 252.402 1.872 50 0 CDAALP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000253371004 373679903 /nfs/dbraw/zinc/67/99/03/373679903.db2.gz ZIRKEUWASJAMDP-REWJHTLYSA-N 2 2 252.402 1.872 50 0 CDAALP COC(=O)[C@H]1CC12CC[NH+](CC[NH2+]C(C)C)CC2 ZINC000253420888 277123791 /nfs/dbraw/zinc/12/37/91/277123791.db2.gz NHCARJNKRPMLTI-GFCCVEGCSA-N 2 2 254.374 1.260 50 0 CDAALP C[C@@H](CCC(=O)NCCc1[nH]cc[nH+]1)[NH+]1CCCC1 ZINC000426538721 682223238 /nfs/dbraw/zinc/22/32/38/682223238.db2.gz YZFCIAUJJCVSPW-LBPRGKRZSA-N 2 2 264.373 1.333 50 0 CDAALP Cc1c[nH+]c(NCCC[N@@H+]2CCC[C@H](O)C2)nc1N(C)C ZINC000952964599 682793249 /nfs/dbraw/zinc/79/32/49/682793249.db2.gz MQEWJRIIXYHQEM-ZDUSSCGKSA-N 2 2 293.415 1.110 50 0 CDAALP Cc1c[nH+]c(NCCC[N@H+]2CCC[C@H](O)C2)nc1N(C)C ZINC000952964599 682793263 /nfs/dbraw/zinc/79/32/63/682793263.db2.gz MQEWJRIIXYHQEM-ZDUSSCGKSA-N 2 2 293.415 1.110 50 0 CDAALP CC[C@H](C(=O)NCCCn1cc[nH+]c1)[N@H+](C)CC ZINC000822555094 1161928734 /nfs/dbraw/zinc/92/87/34/1161928734.db2.gz QBHMKZMZURSTOH-GFCCVEGCSA-N 2 2 252.362 1.120 50 0 CDAALP CC[C@H](C(=O)NCCCn1cc[nH+]c1)[N@@H+](C)CC ZINC000822555094 1161928737 /nfs/dbraw/zinc/92/87/37/1161928737.db2.gz QBHMKZMZURSTOH-GFCCVEGCSA-N 2 2 252.362 1.120 50 0 CDAALP C[N@@H+]1CCCC[C@H]1CCNc1cc(NCCO)[nH+]cn1 ZINC000828767796 926179565 /nfs/dbraw/zinc/17/95/65/926179565.db2.gz QRNCIFMRGRYCGT-LBPRGKRZSA-N 2 2 279.388 1.167 50 0 CDAALP C[N@H+]1CCCC[C@H]1CCNc1cc(NCCO)[nH+]cn1 ZINC000828767796 926179569 /nfs/dbraw/zinc/17/95/69/926179569.db2.gz QRNCIFMRGRYCGT-LBPRGKRZSA-N 2 2 279.388 1.167 50 0 CDAALP Cc1nnc2n1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000095969045 282352457 /nfs/dbraw/zinc/35/24/57/282352457.db2.gz MNROROXRKKNCSH-HNNXBMFYSA-N 2 2 289.427 1.885 50 0 CDAALP [NH3+][C@H]1CCC[N@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC000091575083 180197145 /nfs/dbraw/zinc/19/71/45/180197145.db2.gz HIUAFMDNFMLGEN-NSHDSACASA-N 2 2 289.354 1.980 50 0 CDAALP [NH3+][C@H]1CCC[N@@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC000091575083 180197146 /nfs/dbraw/zinc/19/71/46/180197146.db2.gz HIUAFMDNFMLGEN-NSHDSACASA-N 2 2 289.354 1.980 50 0 CDAALP COCC[N@@H+]1CC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000091526567 180178637 /nfs/dbraw/zinc/17/86/37/180178637.db2.gz FNQGJCIOAKTPOQ-ZDUSSCGKSA-N 2 2 264.373 1.474 50 0 CDAALP COCC[N@H+]1CC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000091526567 180178641 /nfs/dbraw/zinc/17/86/41/180178641.db2.gz FNQGJCIOAKTPOQ-ZDUSSCGKSA-N 2 2 264.373 1.474 50 0 CDAALP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000257365242 350963338 /nfs/dbraw/zinc/96/33/38/350963338.db2.gz AVJZYWUJKFRRSX-STQMWFEESA-N 2 2 276.384 1.189 50 0 CDAALP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000257365242 350963342 /nfs/dbraw/zinc/96/33/42/350963342.db2.gz AVJZYWUJKFRRSX-STQMWFEESA-N 2 2 276.384 1.189 50 0 CDAALP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000002380311 355968552 /nfs/dbraw/zinc/96/85/52/355968552.db2.gz UQCUWZDCPKMUHA-UHFFFAOYSA-N 2 2 294.395 1.516 50 0 CDAALP CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000083882293 357109491 /nfs/dbraw/zinc/10/94/91/357109491.db2.gz AWQPKFIDAUCHCW-OAHLLOKOSA-N 2 2 298.390 1.910 50 0 CDAALP C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097110949 357986559 /nfs/dbraw/zinc/98/65/59/357986559.db2.gz VUZZMUCDIAPGBP-QWHCGFSZSA-N 2 2 277.416 1.558 50 0 CDAALP C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110949 357986562 /nfs/dbraw/zinc/98/65/62/357986562.db2.gz VUZZMUCDIAPGBP-QWHCGFSZSA-N 2 2 277.416 1.558 50 0 CDAALP Cc1[nH]c(CN2CCCO[C@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000215375483 358886528 /nfs/dbraw/zinc/88/65/28/358886528.db2.gz OMCIKQHISSAVRH-MRXNPFEDSA-N 2 2 292.427 1.795 50 0 CDAALP Cc1[nH]cc(CN2CCCO[C@H](C[NH+]3CCCCC3)C2)[nH+]1 ZINC000215375483 358886529 /nfs/dbraw/zinc/88/65/29/358886529.db2.gz OMCIKQHISSAVRH-MRXNPFEDSA-N 2 2 292.427 1.795 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)CSCC[NH+]2CCCC2)[nH+]1 ZINC000221410100 359245980 /nfs/dbraw/zinc/24/59/80/359245980.db2.gz KEUOHBMZHBFZOX-UHFFFAOYSA-N 2 2 296.440 1.506 50 0 CDAALP Nc1nc(NCC2CCOCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222623411 359360177 /nfs/dbraw/zinc/36/01/77/359360177.db2.gz UUCXRQKOOAWICR-UHFFFAOYSA-N 2 2 277.372 1.102 50 0 CDAALP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000179220578 189178675 /nfs/dbraw/zinc/17/86/75/189178675.db2.gz RMRZSEOCIVCHFB-JSGCOSHPSA-N 2 2 299.378 1.467 50 0 CDAALP CCc1oc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426518888 360929495 /nfs/dbraw/zinc/92/94/95/360929495.db2.gz BCZWLKWBBPTEBO-CHWSQXEVSA-N 2 2 260.337 1.499 50 0 CDAALP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426518888 360929500 /nfs/dbraw/zinc/92/95/00/360929500.db2.gz BCZWLKWBBPTEBO-CHWSQXEVSA-N 2 2 260.337 1.499 50 0 CDAALP Clc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000261572939 140352489 /nfs/dbraw/zinc/35/24/89/140352489.db2.gz MCJDCWRUDHDDNS-LLVKDONJSA-N 2 2 285.844 1.881 50 0 CDAALP COc1cc(C[NH2+]CC[NH+]2CCCC2)cc(OC)c1 ZINC000020127018 171012440 /nfs/dbraw/zinc/01/24/40/171012440.db2.gz BDMCJYFZCAFHGU-UHFFFAOYSA-N 2 2 264.369 1.889 50 0 CDAALP CC1([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)OCCO1 ZINC000097086635 482455818 /nfs/dbraw/zinc/45/58/18/482455818.db2.gz LNWJLJDCPXHLCS-ZDUSSCGKSA-N 2 2 265.357 1.358 50 0 CDAALP CC1([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)OCCO1 ZINC000097086635 482455819 /nfs/dbraw/zinc/45/58/19/482455819.db2.gz LNWJLJDCPXHLCS-ZDUSSCGKSA-N 2 2 265.357 1.358 50 0 CDAALP Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc[nH+]1 ZINC000096484309 533908198 /nfs/dbraw/zinc/90/81/98/533908198.db2.gz MMDWLKXDLLYOKX-HNNXBMFYSA-N 2 2 290.411 1.866 50 0 CDAALP COCCn1c[nH+]cc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC000426495582 686012594 /nfs/dbraw/zinc/01/25/94/686012594.db2.gz ILQSQUNTXIQXDH-UHFFFAOYSA-N 2 2 294.399 1.020 50 0 CDAALP Cc1c[nH+]c(N2CCC([NH+]3CCSCC3)CC2)nc1N ZINC000032541459 687098007 /nfs/dbraw/zinc/09/80/07/687098007.db2.gz KKAMWGRJUFLGDN-UHFFFAOYSA-N 2 2 293.440 1.385 50 0 CDAALP CCc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000823104884 925672903 /nfs/dbraw/zinc/67/29/03/925672903.db2.gz DVDPTXIZBLDANS-CYBMUJFWSA-N 2 2 262.401 1.813 50 0 CDAALP CCc1ncc(C[NH+](C)C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000823104884 925672907 /nfs/dbraw/zinc/67/29/07/925672907.db2.gz DVDPTXIZBLDANS-CYBMUJFWSA-N 2 2 262.401 1.813 50 0 CDAALP CCc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](CC)C2)cn1 ZINC000823104884 925672913 /nfs/dbraw/zinc/67/29/13/925672913.db2.gz DVDPTXIZBLDANS-CYBMUJFWSA-N 2 2 262.401 1.813 50 0 CDAALP CCc1ncc(C[N@H+](C)C[C@H]2CC[NH+](CC)C2)cn1 ZINC000823104884 925672915 /nfs/dbraw/zinc/67/29/15/925672915.db2.gz DVDPTXIZBLDANS-CYBMUJFWSA-N 2 2 262.401 1.813 50 0 CDAALP C[NH+]1CCC(NC[C@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000823764773 925727949 /nfs/dbraw/zinc/72/79/49/925727949.db2.gz FIBDOQCWAGZSDB-QGZVFWFLSA-N 2 2 273.424 1.727 50 0 CDAALP C[NH+]1CCC(NC[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000823764773 925727957 /nfs/dbraw/zinc/72/79/57/925727957.db2.gz FIBDOQCWAGZSDB-QGZVFWFLSA-N 2 2 273.424 1.727 50 0 CDAALP C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000095421057 539087951 /nfs/dbraw/zinc/08/79/51/539087951.db2.gz HJRYYHHUJLMNMN-CQSZACIVSA-N 2 2 273.380 1.476 50 0 CDAALP Cc1nnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000252484322 362384880 /nfs/dbraw/zinc/38/48/80/362384880.db2.gz FUHGQJQKKRXJCN-NSHDSACASA-N 2 2 261.329 1.491 50 0 CDAALP Cc1nnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000252484322 362384884 /nfs/dbraw/zinc/38/48/84/362384884.db2.gz FUHGQJQKKRXJCN-NSHDSACASA-N 2 2 261.329 1.491 50 0 CDAALP CCc1c(C)[nH+]c(N)nc1NCCc1[nH]c(C)c[nH+]1 ZINC000091256054 180114778 /nfs/dbraw/zinc/11/47/78/180114778.db2.gz MFYKCTRLDIYSIF-UHFFFAOYSA-N 2 2 260.345 1.616 50 0 CDAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000095221180 358680675 /nfs/dbraw/zinc/68/06/75/358680675.db2.gz GUVQIDJBSBWXEJ-UHFFFAOYSA-N 2 2 271.364 1.910 50 0 CDAALP CCC[C@H](NC(=O)CC[NH+]1CCCC1)c1[nH+]ccn1C ZINC000218987807 359073901 /nfs/dbraw/zinc/07/39/01/359073901.db2.gz GCGMWJYCOYOTON-ZDUSSCGKSA-N 2 2 278.400 1.863 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3C[C@@H](C)OC3=O)C2)[nH+]c1 ZINC000222201986 359514249 /nfs/dbraw/zinc/51/42/49/359514249.db2.gz VSASMZSSGSEMJL-HZSPNIEDSA-N 2 2 289.379 1.828 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)OC3=O)C2)[nH+]c1 ZINC000222201986 359514254 /nfs/dbraw/zinc/51/42/54/359514254.db2.gz VSASMZSSGSEMJL-HZSPNIEDSA-N 2 2 289.379 1.828 50 0 CDAALP Cn1c(CC[NH3+])nnc1SCc1[nH+]ccn1C1CC1 ZINC000426443065 360670676 /nfs/dbraw/zinc/67/06/76/360670676.db2.gz CBYIHTVHEGONAI-UHFFFAOYSA-N 2 2 278.385 1.140 50 0 CDAALP C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccn2c[nH+]cc2c1 ZINC000097107138 397605337 /nfs/dbraw/zinc/60/53/37/397605337.db2.gz IASRCMGFDBMWAX-LBPRGKRZSA-N 2 2 289.335 1.212 50 0 CDAALP Cc1nc(NC[C@@]2(O)CCC[NH2+]C2)c(C(C)C)c[nH+]1 ZINC000534586724 411828232 /nfs/dbraw/zinc/82/82/32/411828232.db2.gz AUTVZOVSQBPRRF-CQSZACIVSA-N 2 2 264.373 1.435 50 0 CDAALP COc1cc(NC[C@H](C(C)C)[NH+](C)C)nc(N)[nH+]1 ZINC000534659076 411828866 /nfs/dbraw/zinc/82/88/66/411828866.db2.gz LBSSMDKORYSURC-SECBINFHSA-N 2 2 253.350 1.066 50 0 CDAALP CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082125922 276188070 /nfs/dbraw/zinc/18/80/70/276188070.db2.gz KHNYCSZCONZUEX-INIZCTEOSA-N 2 2 290.411 1.677 50 0 CDAALP CC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082125922 276188072 /nfs/dbraw/zinc/18/80/72/276188072.db2.gz KHNYCSZCONZUEX-INIZCTEOSA-N 2 2 290.411 1.677 50 0 CDAALP CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082125922 276188074 /nfs/dbraw/zinc/18/80/74/276188074.db2.gz KHNYCSZCONZUEX-INIZCTEOSA-N 2 2 290.411 1.677 50 0 CDAALP CC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082125922 276188076 /nfs/dbraw/zinc/18/80/76/276188076.db2.gz KHNYCSZCONZUEX-INIZCTEOSA-N 2 2 290.411 1.677 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(N(C)C)CCCC1 ZINC000534587355 328316031 /nfs/dbraw/zinc/31/60/31/328316031.db2.gz BFNPRFHZHYENNN-ZDUSSCGKSA-N 2 2 250.390 1.736 50 0 CDAALP CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2c(C)nn(CCO)c2C)C1 ZINC000670446519 482997646 /nfs/dbraw/zinc/99/76/46/482997646.db2.gz ZOUORGPCVSBCPM-HNNXBMFYSA-N 2 2 294.443 1.266 50 0 CDAALP CC[N@H+]1CC[C@@H](C[NH+](C)Cc2c(C)nn(CCO)c2C)C1 ZINC000670446519 482997652 /nfs/dbraw/zinc/99/76/52/482997652.db2.gz ZOUORGPCVSBCPM-HNNXBMFYSA-N 2 2 294.443 1.266 50 0 CDAALP CC[NH+]1CC[C@@H](C[N@H+](C)Cc2c(C)nn(CCO)c2C)C1 ZINC000670446519 482997660 /nfs/dbraw/zinc/99/76/60/482997660.db2.gz ZOUORGPCVSBCPM-HNNXBMFYSA-N 2 2 294.443 1.266 50 0 CDAALP CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2c(C)nn(CCO)c2C)C1 ZINC000670446519 482997668 /nfs/dbraw/zinc/99/76/68/482997668.db2.gz ZOUORGPCVSBCPM-HNNXBMFYSA-N 2 2 294.443 1.266 50 0 CDAALP C[NH2+]Cc1nnc(NCC[N@@H+]2CCc3ccccc3C2)o1 ZINC001772706794 1159441764 /nfs/dbraw/zinc/44/17/64/1159441764.db2.gz MKPNKDIVKOQREV-UHFFFAOYSA-N 2 2 287.367 1.259 50 0 CDAALP C[NH2+]Cc1nnc(NCC[N@H+]2CCc3ccccc3C2)o1 ZINC001772706794 1159441769 /nfs/dbraw/zinc/44/17/69/1159441769.db2.gz MKPNKDIVKOQREV-UHFFFAOYSA-N 2 2 287.367 1.259 50 0 CDAALP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000125729893 187197617 /nfs/dbraw/zinc/19/76/17/187197617.db2.gz DQEMJJVUSSPVBP-ZDUSSCGKSA-N 2 2 284.363 1.365 50 0 CDAALP Cc1c[nH+]c(N)nc1N(C)CCc1[nH]c2ccccc2[nH+]1 ZINC000091304514 180131398 /nfs/dbraw/zinc/13/13/98/180131398.db2.gz AVEOAQCILSQLLQ-UHFFFAOYSA-N 2 2 282.351 1.922 50 0 CDAALP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011754409 356277838 /nfs/dbraw/zinc/27/78/38/356277838.db2.gz HVHGAJURRVBUQI-HNNXBMFYSA-N 2 2 273.380 1.083 50 0 CDAALP CCc1[nH+]ccn1CCC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000065461409 357543536 /nfs/dbraw/zinc/54/35/36/357543536.db2.gz TTXJGRNDBFSAAU-AWEZNQCLSA-N 3 2 264.417 1.910 50 0 CDAALP CCc1[nH+]ccn1CCC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000065461409 357543539 /nfs/dbraw/zinc/54/35/39/357543539.db2.gz TTXJGRNDBFSAAU-AWEZNQCLSA-N 3 2 264.417 1.910 50 0 CDAALP CCc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+](C)C)C2)nc1 ZINC000072424647 357833846 /nfs/dbraw/zinc/83/38/46/357833846.db2.gz HBJXTUPMCQVPPL-OAHLLOKOSA-N 2 2 263.385 1.142 50 0 CDAALP CCc1ccc(C[N@H+]2CC[C@@](O)(C[NH+](C)C)C2)nc1 ZINC000072424647 357833850 /nfs/dbraw/zinc/83/38/50/357833850.db2.gz HBJXTUPMCQVPPL-OAHLLOKOSA-N 2 2 263.385 1.142 50 0 CDAALP COc1cccc(OC)c1OCC[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC000082125643 358148089 /nfs/dbraw/zinc/14/80/89/358148089.db2.gz DCJDZPKSHDPWJU-CYBMUJFWSA-N 2 2 294.395 1.896 50 0 CDAALP COc1cccc(OC)c1OCC[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC000082125643 358148094 /nfs/dbraw/zinc/14/80/94/358148094.db2.gz DCJDZPKSHDPWJU-CYBMUJFWSA-N 2 2 294.395 1.896 50 0 CDAALP C[NH+](C)[C@H](C(=O)NCCCCC[NH3+])c1ccccc1F ZINC000095360879 358685860 /nfs/dbraw/zinc/68/58/60/358685860.db2.gz SSDWRHDJEYCKED-AWEZNQCLSA-N 2 2 281.375 1.674 50 0 CDAALP CCn1cc[nH+]c1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215537316 358894003 /nfs/dbraw/zinc/89/40/03/358894003.db2.gz UYZFYMREOHDLAU-UHFFFAOYSA-N 2 2 294.468 1.916 50 0 CDAALP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000253370472 373679165 /nfs/dbraw/zinc/67/91/65/373679165.db2.gz RGQIXNORXCMUOF-ORIJERBGSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000253370472 373679177 /nfs/dbraw/zinc/67/91/77/373679177.db2.gz RGQIXNORXCMUOF-ORIJERBGSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000253370472 373679188 /nfs/dbraw/zinc/67/91/88/373679188.db2.gz RGQIXNORXCMUOF-ORIJERBGSA-N 2 2 272.396 1.954 50 0 CDAALP C[C@H](c1cnccn1)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000253370472 373679196 /nfs/dbraw/zinc/67/91/96/373679196.db2.gz RGQIXNORXCMUOF-ORIJERBGSA-N 2 2 272.396 1.954 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000108490397 412830289 /nfs/dbraw/zinc/83/02/89/412830289.db2.gz YIOJOBYLYDHOJH-QXSJWSMHSA-N 2 2 296.455 1.890 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000108490397 412830293 /nfs/dbraw/zinc/83/02/93/412830293.db2.gz YIOJOBYLYDHOJH-QXSJWSMHSA-N 2 2 296.455 1.890 50 0 CDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000065478074 390942101 /nfs/dbraw/zinc/94/21/01/390942101.db2.gz KFKGIDAXZWPMBO-CYBMUJFWSA-N 2 2 293.459 1.793 50 0 CDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000065478074 390942102 /nfs/dbraw/zinc/94/21/02/390942102.db2.gz KFKGIDAXZWPMBO-CYBMUJFWSA-N 2 2 293.459 1.793 50 0 CDAALP Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c[nH+]1 ZINC000237998182 390897388 /nfs/dbraw/zinc/89/73/88/390897388.db2.gz RDCZMMMSVGSZQK-USWWRNFRSA-N 2 2 260.341 1.523 50 0 CDAALP O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000179128956 140013453 /nfs/dbraw/zinc/01/34/53/140013453.db2.gz DDHMREJTWWNMCZ-LBPRGKRZSA-N 2 2 272.352 1.454 50 0 CDAALP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000089967915 276331364 /nfs/dbraw/zinc/33/13/64/276331364.db2.gz VHTQDULUWSOZAR-LSDHHAIUSA-N 2 2 294.443 1.302 50 0 CDAALP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000089967915 276331365 /nfs/dbraw/zinc/33/13/65/276331365.db2.gz VHTQDULUWSOZAR-LSDHHAIUSA-N 2 2 294.443 1.302 50 0 CDAALP [NH3+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000097019535 567903265 /nfs/dbraw/zinc/90/32/65/567903265.db2.gz NSMUZRUWZRUJLL-CYBMUJFWSA-N 2 2 293.436 1.446 50 0 CDAALP [NH3+]C[C@H]1CCCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000097019535 567903267 /nfs/dbraw/zinc/90/32/67/567903267.db2.gz NSMUZRUWZRUJLL-CYBMUJFWSA-N 2 2 293.436 1.446 50 0 CDAALP C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000279544 696024156 /nfs/dbraw/zinc/02/41/56/696024156.db2.gz RPGOORCKNRWNAK-UHFFFAOYSA-N 2 2 259.397 1.903 50 0 CDAALP Cc1cccc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)n1 ZINC000012449533 725431322 /nfs/dbraw/zinc/43/13/22/725431322.db2.gz CKMUVABIOHPQLY-HNNXBMFYSA-N 2 2 263.385 1.543 50 0 CDAALP Cc1cccc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)n1 ZINC000012449533 725431323 /nfs/dbraw/zinc/43/13/23/725431323.db2.gz CKMUVABIOHPQLY-HNNXBMFYSA-N 2 2 263.385 1.543 50 0 CDAALP COCCn1c[nH+]cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000252488633 725073360 /nfs/dbraw/zinc/07/33/60/725073360.db2.gz IVXXQQDYKRWNFW-CYBMUJFWSA-N 2 2 266.389 1.056 50 0 CDAALP Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])c1 ZINC000244708047 361858481 /nfs/dbraw/zinc/85/84/81/361858481.db2.gz KMOMPMWARBTAFQ-HALDLXJZSA-N 2 2 287.407 1.911 50 0 CDAALP Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])c1 ZINC000244708047 361858485 /nfs/dbraw/zinc/85/84/85/361858485.db2.gz KMOMPMWARBTAFQ-HALDLXJZSA-N 2 2 287.407 1.911 50 0 CDAALP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000585116907 362045246 /nfs/dbraw/zinc/04/52/46/362045246.db2.gz MCGGYGOXRBGGHZ-YSVLISHTSA-N 2 2 289.423 1.936 50 0 CDAALP CO[C@@H](C[NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCOC1 ZINC000585117410 362046786 /nfs/dbraw/zinc/04/67/86/362046786.db2.gz BKKSGWQSUHKYSX-CABCVRRESA-N 2 2 264.369 1.574 50 0 CDAALP CO[C@@]1(C[NH2+]CCc2cc[nH+]cc2C)CCOC1 ZINC000397547635 345221614 /nfs/dbraw/zinc/22/16/14/345221614.db2.gz OUHFOMXMNMLLCX-CQSZACIVSA-N 2 2 250.342 1.328 50 0 CDAALP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088687420 366153131 /nfs/dbraw/zinc/15/31/31/366153131.db2.gz HULNCOUMAWUBCT-WDEREUQCSA-N 2 2 265.323 1.307 50 0 CDAALP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088687420 366153139 /nfs/dbraw/zinc/15/31/39/366153139.db2.gz HULNCOUMAWUBCT-WDEREUQCSA-N 2 2 265.323 1.307 50 0 CDAALP c1nc(N2CCCC2)ncc1C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065373097 357533605 /nfs/dbraw/zinc/53/36/05/357533605.db2.gz HWHRXIGLLXAWCO-CABCVRRESA-N 2 2 287.411 1.403 50 0 CDAALP c1nc(N2CCCC2)ncc1C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065373097 357533606 /nfs/dbraw/zinc/53/36/06/357533606.db2.gz HWHRXIGLLXAWCO-CABCVRRESA-N 2 2 287.411 1.403 50 0 CDAALP C[C@@H]1CCCC[N@@H+]1CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000065530275 357547772 /nfs/dbraw/zinc/54/77/72/357547772.db2.gz DDIFJBQSJQNAAA-CYBMUJFWSA-N 2 2 277.416 1.853 50 0 CDAALP C[C@@H]1CCCC[N@H+]1CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000065530275 357547776 /nfs/dbraw/zinc/54/77/76/357547776.db2.gz DDIFJBQSJQNAAA-CYBMUJFWSA-N 2 2 277.416 1.853 50 0 CDAALP C[N@H+](CCC(F)(F)F)C[C@@H]1CCC[NH+](CCO)C1 ZINC000067804123 357628490 /nfs/dbraw/zinc/62/84/90/357628490.db2.gz YTERNYBKHGNKLP-NSHDSACASA-N 2 2 268.323 1.575 50 0 CDAALP C[N@@H+](CCC(F)(F)F)C[C@@H]1CCC[NH+](CCO)C1 ZINC000067804123 357628495 /nfs/dbraw/zinc/62/84/95/357628495.db2.gz YTERNYBKHGNKLP-NSHDSACASA-N 2 2 268.323 1.575 50 0 CDAALP C[NH+](CCC(F)(F)F)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000067804123 357628501 /nfs/dbraw/zinc/62/85/01/357628501.db2.gz YTERNYBKHGNKLP-NSHDSACASA-N 2 2 268.323 1.575 50 0 CDAALP C[NH+](CCC(F)(F)F)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000067804123 357628505 /nfs/dbraw/zinc/62/85/05/357628505.db2.gz YTERNYBKHGNKLP-NSHDSACASA-N 2 2 268.323 1.575 50 0 CDAALP Cc1[nH+]cnc(N2CCC[C@@](O)(C[NH+](C)C)CC2)c1C ZINC000095373858 358688780 /nfs/dbraw/zinc/68/87/80/358688780.db2.gz UUDMWLCENGRHCC-HNNXBMFYSA-N 2 2 278.400 1.376 50 0 CDAALP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097619282 358788181 /nfs/dbraw/zinc/78/81/81/358788181.db2.gz DEYZAGFLZIAJJL-BBOMDTFKSA-N 2 2 299.418 1.454 50 0 CDAALP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000222199216 359341635 /nfs/dbraw/zinc/34/16/35/359341635.db2.gz QBQYGQJINRHXCR-AGIUHOORSA-N 2 2 275.352 1.519 50 0 CDAALP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C(=O)O1 ZINC000222199216 359341638 /nfs/dbraw/zinc/34/16/38/359341638.db2.gz QBQYGQJINRHXCR-AGIUHOORSA-N 2 2 275.352 1.519 50 0 CDAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000252321485 367389074 /nfs/dbraw/zinc/38/90/74/367389074.db2.gz APKCRDRIVYWYDH-VXGBXAGGSA-N 2 2 265.357 1.644 50 0 CDAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000252321485 367389080 /nfs/dbraw/zinc/38/90/80/367389080.db2.gz APKCRDRIVYWYDH-VXGBXAGGSA-N 2 2 265.357 1.644 50 0 CDAALP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC000242389381 376021113 /nfs/dbraw/zinc/02/11/13/376021113.db2.gz ZWRNOUPGVGKTED-KBPBESRZSA-N 2 2 276.384 1.358 50 0 CDAALP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC000242389381 376021117 /nfs/dbraw/zinc/02/11/17/376021117.db2.gz ZWRNOUPGVGKTED-KBPBESRZSA-N 2 2 276.384 1.358 50 0 CDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000067910281 377296073 /nfs/dbraw/zinc/29/60/73/377296073.db2.gz BZDZWSJUAGNWRJ-LBPRGKRZSA-N 2 2 299.378 1.252 50 0 CDAALP NC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2n2cc[nH+]c2)CC1 ZINC000037314055 295061532 /nfs/dbraw/zinc/06/15/32/295061532.db2.gz XCYRZWGSEXYOKU-QWHCGFSZSA-N 2 2 277.372 1.109 50 0 CDAALP Cc1c[nH]c([C@@H](C)NC(=O)N(C)CCn2cc[nH+]c2C)[nH+]1 ZINC000534652955 328338360 /nfs/dbraw/zinc/33/83/60/328338360.db2.gz VBSGHSRAUIXCFC-LLVKDONJSA-N 2 2 290.371 1.626 50 0 CDAALP COc1cc[nH+]c(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1OC ZINC000534658126 328341153 /nfs/dbraw/zinc/34/11/53/328341153.db2.gz JZZUFAXRRLVVKS-WVKUQDAKSA-N 2 2 289.379 1.281 50 0 CDAALP Cc1[nH+]cc(C[N@H+](C)CCC2(O)CCCC2)n1C ZINC000670472616 483081843 /nfs/dbraw/zinc/08/18/43/483081843.db2.gz YOLHMIBHYPHEJX-UHFFFAOYSA-N 2 2 251.374 1.856 50 0 CDAALP Cc1[nH+]cc(C[N@@H+](C)CCC2(O)CCCC2)n1C ZINC000670472616 483081849 /nfs/dbraw/zinc/08/18/49/483081849.db2.gz YOLHMIBHYPHEJX-UHFFFAOYSA-N 2 2 251.374 1.856 50 0 CDAALP CC1(C)CC([NH2+]CCc2[nH]cc[nH+]2)CC(C)(C)[NH2+]1 ZINC000822293574 1161928029 /nfs/dbraw/zinc/92/80/29/1161928029.db2.gz POIRYTYCFXWEOM-UHFFFAOYSA-N 3 2 250.390 1.851 50 0 CDAALP Cc1nncn1CC[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC001506420710 975158152 /nfs/dbraw/zinc/15/81/52/975158152.db2.gz BTFBVQKXHSMSDI-AWEZNQCLSA-N 2 2 274.372 1.195 50 0 CDAALP Cc1nncn1CC[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC001506420710 975158153 /nfs/dbraw/zinc/15/81/53/975158153.db2.gz BTFBVQKXHSMSDI-AWEZNQCLSA-N 2 2 274.372 1.195 50 0 CDAALP [NH3+]C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000178581639 362247053 /nfs/dbraw/zinc/24/70/53/362247053.db2.gz XQXWUNKUCQUVFF-LBPRGKRZSA-N 2 2 270.336 1.293 50 0 CDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCOCC3)c2cc1C ZINC000012633207 366222863 /nfs/dbraw/zinc/22/28/63/366222863.db2.gz KTERXBPXAHUKLX-AWEZNQCLSA-N 2 2 289.379 1.346 50 0 CDAALP CCCCc1nc(N2CCC([NH3+])(CO)CC2)cc(C)[nH+]1 ZINC000097377470 356102839 /nfs/dbraw/zinc/10/28/39/356102839.db2.gz TZKCJGNASSINAB-UHFFFAOYSA-N 2 2 278.400 1.418 50 0 CDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000067818798 357628813 /nfs/dbraw/zinc/62/88/13/357628813.db2.gz WXNUPSQUGQXIEI-INIZCTEOSA-N 2 2 284.407 1.600 50 0 CDAALP C[N@H+]1CCN2CC[NH+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000067818798 357628817 /nfs/dbraw/zinc/62/88/17/357628817.db2.gz WXNUPSQUGQXIEI-INIZCTEOSA-N 2 2 284.407 1.600 50 0 CDAALP C[NH+]1CCN2CC[N@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000067818798 357628821 /nfs/dbraw/zinc/62/88/21/357628821.db2.gz WXNUPSQUGQXIEI-INIZCTEOSA-N 2 2 284.407 1.600 50 0 CDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000067818798 357628825 /nfs/dbraw/zinc/62/88/25/357628825.db2.gz WXNUPSQUGQXIEI-INIZCTEOSA-N 2 2 284.407 1.600 50 0 CDAALP Fc1cccc(C[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000072456778 357837208 /nfs/dbraw/zinc/83/72/08/357837208.db2.gz NJTZOQCMGHOBMH-INIZCTEOSA-N 2 2 291.414 1.943 50 0 CDAALP Fc1cccc(CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000072456778 357837210 /nfs/dbraw/zinc/83/72/10/357837210.db2.gz NJTZOQCMGHOBMH-INIZCTEOSA-N 2 2 291.414 1.943 50 0 CDAALP c1ccc(NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH+]c1 ZINC000097200659 358188417 /nfs/dbraw/zinc/18/84/17/358188417.db2.gz GSRIGKKISFRLBX-LBPRGKRZSA-N 2 2 299.382 1.337 50 0 CDAALP c1ccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH+]c1 ZINC000097200659 358188418 /nfs/dbraw/zinc/18/84/18/358188418.db2.gz GSRIGKKISFRLBX-LBPRGKRZSA-N 2 2 299.382 1.337 50 0 CDAALP CC[N@H+](C1CN(C(=O)c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000409419963 360227714 /nfs/dbraw/zinc/22/77/14/360227714.db2.gz FFSOUXOPWDPEIV-UHFFFAOYSA-N 2 2 291.395 1.520 50 0 CDAALP CC[N@@H+](C1CN(C(=O)c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000409419963 360227718 /nfs/dbraw/zinc/22/77/18/360227718.db2.gz FFSOUXOPWDPEIV-UHFFFAOYSA-N 2 2 291.395 1.520 50 0 CDAALP Cc1c[nH]c([C@@H](C)NC(=O)c2cccc(OCC[NH3+])c2)[nH+]1 ZINC000426662453 360694305 /nfs/dbraw/zinc/69/43/05/360694305.db2.gz QQOMSFDRGBNTEZ-LLVKDONJSA-N 2 2 288.351 1.547 50 0 CDAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000252321484 367389807 /nfs/dbraw/zinc/38/98/07/367389807.db2.gz APKCRDRIVYWYDH-NEPJUHHUSA-N 2 2 265.357 1.644 50 0 CDAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000252321484 367389812 /nfs/dbraw/zinc/38/98/12/367389812.db2.gz APKCRDRIVYWYDH-NEPJUHHUSA-N 2 2 265.357 1.644 50 0 CDAALP Cc1cnn(-c2cc[nH+]cc2NCc2[nH]cc[nH+]2)c1 ZINC000095988532 375048715 /nfs/dbraw/zinc/04/87/15/375048715.db2.gz RMJOMYFOKIJJGT-UHFFFAOYSA-N 2 2 254.297 1.911 50 0 CDAALP Cc1cnc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)nc1 ZINC000095357009 390910816 /nfs/dbraw/zinc/91/08/16/390910816.db2.gz UXXDDNGXXXOFGC-HNNXBMFYSA-N 2 2 289.427 1.249 50 0 CDAALP Cc1cnc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC000095357009 390910818 /nfs/dbraw/zinc/91/08/18/390910818.db2.gz UXXDDNGXXXOFGC-HNNXBMFYSA-N 2 2 289.427 1.249 50 0 CDAALP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093042520 147032475 /nfs/dbraw/zinc/03/24/75/147032475.db2.gz WXOQPYJDFUUHPF-CQSZACIVSA-N 2 2 278.400 1.262 50 0 CDAALP Cc1n[nH]cc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093042520 147032480 /nfs/dbraw/zinc/03/24/80/147032480.db2.gz WXOQPYJDFUUHPF-CQSZACIVSA-N 2 2 278.400 1.262 50 0 CDAALP CC(C)C[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000071755098 176260720 /nfs/dbraw/zinc/26/07/20/176260720.db2.gz GFYMIKIQJWJFBS-GFCCVEGCSA-N 2 2 260.341 1.324 50 0 CDAALP [NH3+]CC[C@H]1C[N@H+](Cc2cnc(-c3ccco3)nc2)CCO1 ZINC000426491572 295240749 /nfs/dbraw/zinc/24/07/49/295240749.db2.gz RVEHQQRCCUWVIP-ZDUSSCGKSA-N 2 2 288.351 1.286 50 0 CDAALP [NH3+]CC[C@H]1C[N@@H+](Cc2cnc(-c3ccco3)nc2)CCO1 ZINC000426491572 295240752 /nfs/dbraw/zinc/24/07/52/295240752.db2.gz RVEHQQRCCUWVIP-ZDUSSCGKSA-N 2 2 288.351 1.286 50 0 CDAALP CCC[C@H](CNc1cc(OC)[nH+]c(N)n1)[NH+](C)C ZINC000534587718 328316183 /nfs/dbraw/zinc/31/61/83/328316183.db2.gz BWIYYCDAQYHGSN-SECBINFHSA-N 2 2 253.350 1.040 50 0 CDAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000534659649 328342178 /nfs/dbraw/zinc/34/21/78/328342178.db2.gz DEYUPVXLJWNRIV-AWEZNQCLSA-N 2 2 299.418 1.603 50 0 CDAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000534659649 328342180 /nfs/dbraw/zinc/34/21/80/328342180.db2.gz DEYUPVXLJWNRIV-AWEZNQCLSA-N 2 2 299.418 1.603 50 0 CDAALP CC(C)[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000670442970 482989310 /nfs/dbraw/zinc/98/93/10/482989310.db2.gz HMTDTUAEQWRFQS-CYBMUJFWSA-N 2 2 293.415 1.416 50 0 CDAALP Cc1[nH+]cn(CC[NH2+][C@H](C)CN(C)C(C)C)c1C ZINC000670457314 483036224 /nfs/dbraw/zinc/03/62/24/483036224.db2.gz ZGTHVUQOZGMSGU-GFCCVEGCSA-N 2 2 252.406 1.818 50 0 CDAALP CC(C)C[N@H+](C1CN(C(=O)C(C)C)C1)C1CC[NH+](C)CC1 ZINC000581799760 927199413 /nfs/dbraw/zinc/19/94/13/927199413.db2.gz WBVCUKPCMOCKSH-UHFFFAOYSA-N 2 2 295.471 1.905 50 0 CDAALP CC(C)C[N@@H+](C1CN(C(=O)C(C)C)C1)C1CC[NH+](C)CC1 ZINC000581799760 927199427 /nfs/dbraw/zinc/19/94/27/927199427.db2.gz WBVCUKPCMOCKSH-UHFFFAOYSA-N 2 2 295.471 1.905 50 0 CDAALP CC[NH+](CC)C[C@@H]1CCCN1CCn1cc[nH+]c1 ZINC001506403667 975150166 /nfs/dbraw/zinc/15/01/66/975150166.db2.gz UUZJUWRXRWUAAU-AWEZNQCLSA-N 2 2 250.390 1.689 50 0 CDAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000004981280 342089087 /nfs/dbraw/zinc/08/90/87/342089087.db2.gz HWHMLQYBEPTOHT-UHFFFAOYSA-N 2 2 289.423 1.911 50 0 CDAALP c1ccc(NC[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)[nH+]c1 ZINC000065563930 361917170 /nfs/dbraw/zinc/91/71/70/361917170.db2.gz SABUSLIXTPSIGI-KGLIPLIRSA-N 2 2 261.369 1.852 50 0 CDAALP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)[nH+]c1 ZINC000065563930 361917176 /nfs/dbraw/zinc/91/71/76/361917176.db2.gz SABUSLIXTPSIGI-KGLIPLIRSA-N 2 2 261.369 1.852 50 0 CDAALP C[N@@H+]1CC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000252488620 362387280 /nfs/dbraw/zinc/38/72/80/362387280.db2.gz IVQLVIVGZQXYNI-CQSZACIVSA-N 2 2 277.387 1.899 50 0 CDAALP C[N@H+]1CC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000252488620 362387286 /nfs/dbraw/zinc/38/72/86/362387286.db2.gz IVQLVIVGZQXYNI-CQSZACIVSA-N 2 2 277.387 1.899 50 0 CDAALP Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000129072889 362498426 /nfs/dbraw/zinc/49/84/26/362498426.db2.gz UKVHAJAPDKIUSB-OAHLLOKOSA-N 2 2 265.376 1.470 50 0 CDAALP Fc1cccc(C[NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000072456776 357836992 /nfs/dbraw/zinc/83/69/92/357836992.db2.gz NJTZOQCMGHOBMH-MRXNPFEDSA-N 2 2 291.414 1.943 50 0 CDAALP Fc1cccc(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000072456776 357836995 /nfs/dbraw/zinc/83/69/95/357836995.db2.gz NJTZOQCMGHOBMH-MRXNPFEDSA-N 2 2 291.414 1.943 50 0 CDAALP COC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000097081563 358160822 /nfs/dbraw/zinc/16/08/22/358160822.db2.gz GKHJGDIWWOJFHE-UHFFFAOYSA-N 2 2 275.352 1.932 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000097081556 358160257 /nfs/dbraw/zinc/16/02/57/358160257.db2.gz DSJQXTFZCMWRTL-MNOVXSKESA-N 2 2 254.374 1.400 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097081556 358160260 /nfs/dbraw/zinc/16/02/60/358160260.db2.gz DSJQXTFZCMWRTL-MNOVXSKESA-N 2 2 254.374 1.400 50 0 CDAALP CC(C)[NH+]1CCC(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000095372041 358687430 /nfs/dbraw/zinc/68/74/30/358687430.db2.gz KSVLMTGPRIUHNZ-UHFFFAOYSA-N 2 2 264.373 1.489 50 0 CDAALP Cc1[nH+]cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)n1C ZINC000097527319 358782330 /nfs/dbraw/zinc/78/23/30/358782330.db2.gz NAUVFAMBLDGFAW-MRXNPFEDSA-N 2 2 271.364 1.822 50 0 CDAALP Cc1[nH+]cc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)n1C ZINC000097527319 358782331 /nfs/dbraw/zinc/78/23/31/358782331.db2.gz NAUVFAMBLDGFAW-MRXNPFEDSA-N 2 2 271.364 1.822 50 0 CDAALP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000011819174 360333180 /nfs/dbraw/zinc/33/31/80/360333180.db2.gz FABUJICTSTXQHT-AWEZNQCLSA-N 2 2 299.378 1.368 50 0 CDAALP C[N@H+]1CCCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000011819174 360333183 /nfs/dbraw/zinc/33/31/83/360333183.db2.gz FABUJICTSTXQHT-AWEZNQCLSA-N 2 2 299.378 1.368 50 0 CDAALP CCC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)C1 ZINC000426701321 360697860 /nfs/dbraw/zinc/69/78/60/360697860.db2.gz ALDLWZOMYHDHTG-ZDUSSCGKSA-N 2 2 293.415 1.734 50 0 CDAALP CCC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)C1 ZINC000426701321 360697865 /nfs/dbraw/zinc/69/78/65/360697865.db2.gz ALDLWZOMYHDHTG-ZDUSSCGKSA-N 2 2 293.415 1.734 50 0 CDAALP Cn1cncc1C[N@@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072163575 176330608 /nfs/dbraw/zinc/33/06/08/176330608.db2.gz CCPWOIJBJCFJQB-CYBMUJFWSA-N 2 2 250.390 1.726 50 0 CDAALP Cn1cncc1C[N@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072163575 176330609 /nfs/dbraw/zinc/33/06/09/176330609.db2.gz CCPWOIJBJCFJQB-CYBMUJFWSA-N 2 2 250.390 1.726 50 0 CDAALP Cn1c[nH+]cc1CN1CCCC[C@@H]1CC[NH+](C)C ZINC000072163575 176330610 /nfs/dbraw/zinc/33/06/10/176330610.db2.gz CCPWOIJBJCFJQB-CYBMUJFWSA-N 2 2 250.390 1.726 50 0 CDAALP CCc1oc(C(N)=O)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534651528 328337378 /nfs/dbraw/zinc/33/73/78/328337378.db2.gz MFOYAFZLUMRDQN-MPZDIEGVSA-N 2 2 289.379 1.123 50 0 CDAALP CCc1oc(C(N)=O)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534651528 328337379 /nfs/dbraw/zinc/33/73/79/328337379.db2.gz MFOYAFZLUMRDQN-MPZDIEGVSA-N 2 2 289.379 1.123 50 0 CDAALP OC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000585091225 482825821 /nfs/dbraw/zinc/82/58/21/482825821.db2.gz NUZLOAZZZJXJEW-GJZGRUSLSA-N 2 2 296.436 1.624 50 0 CDAALP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000952980198 614104062 /nfs/dbraw/zinc/10/40/62/614104062.db2.gz WKYXUNCNRAYTNK-ZDUSSCGKSA-N 2 2 266.385 1.839 50 0 CDAALP CC(C)C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000952980198 614104063 /nfs/dbraw/zinc/10/40/63/614104063.db2.gz WKYXUNCNRAYTNK-ZDUSSCGKSA-N 2 2 266.385 1.839 50 0 CDAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000244695651 731718308 /nfs/dbraw/zinc/71/83/08/731718308.db2.gz JPVMULNGNBTVJK-CYBMUJFWSA-N 2 2 264.373 1.046 50 0 CDAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000244695651 731718312 /nfs/dbraw/zinc/71/83/12/731718312.db2.gz JPVMULNGNBTVJK-CYBMUJFWSA-N 2 2 264.373 1.046 50 0 CDAALP COCC[N@H+](C)C[C@@H]1CCCN1c1cccc(C)[nH+]1 ZINC000195575668 342628802 /nfs/dbraw/zinc/62/88/02/342628802.db2.gz ZNRIQPVJLYKRCT-AWEZNQCLSA-N 2 2 263.385 1.937 50 0 CDAALP COCC[N@@H+](C)C[C@@H]1CCCN1c1cccc(C)[nH+]1 ZINC000195575668 342628803 /nfs/dbraw/zinc/62/88/03/342628803.db2.gz ZNRIQPVJLYKRCT-AWEZNQCLSA-N 2 2 263.385 1.937 50 0 CDAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nnc(C)[nH]1 ZINC000244795074 361862895 /nfs/dbraw/zinc/86/28/95/361862895.db2.gz QYYUENLSUHZJIZ-LBPRGKRZSA-N 2 2 274.372 1.709 50 0 CDAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nnc(C)[nH]1 ZINC000244795074 361862901 /nfs/dbraw/zinc/86/29/01/361862901.db2.gz QYYUENLSUHZJIZ-LBPRGKRZSA-N 2 2 274.372 1.709 50 0 CDAALP CCCC(CCC)[NH+]1CCN(c2cc(N)[nH+]c(N)n2)CC1 ZINC000065372385 362947370 /nfs/dbraw/zinc/94/73/70/362947370.db2.gz YVDVSYTXLYNMTH-UHFFFAOYSA-N 2 2 292.431 1.732 50 0 CDAALP Clc1ccc2[nH+]c(CN3CCC[NH2+]CC3)cn2c1 ZINC000036946412 356891096 /nfs/dbraw/zinc/89/10/96/356891096.db2.gz FCQYSLIAPORZSU-UHFFFAOYSA-N 2 2 264.760 1.783 50 0 CDAALP Cc1[nH+]c2cc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)ccc2n1C ZINC000072477009 357837779 /nfs/dbraw/zinc/83/77/79/357837779.db2.gz LTTRJWKQGIGTES-QWHCGFSZSA-N 2 2 286.379 1.625 50 0 CDAALP CCCC[C@H]1C=CC[N@@H+]1Cc1cc2n(n1)CC[NH2+]C2 ZINC000216006331 358916972 /nfs/dbraw/zinc/91/69/72/358916972.db2.gz QMPDGKMOAFXFGG-AWEZNQCLSA-N 2 2 260.385 1.917 50 0 CDAALP CCCC[C@H]1C=CC[N@H+]1Cc1cc2n(n1)CC[NH2+]C2 ZINC000216006331 358916974 /nfs/dbraw/zinc/91/69/74/358916974.db2.gz QMPDGKMOAFXFGG-AWEZNQCLSA-N 2 2 260.385 1.917 50 0 CDAALP COc1c(F)cccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000215295279 358882369 /nfs/dbraw/zinc/88/23/69/358882369.db2.gz COXNZJJNJMEXIS-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP COc1c(F)cccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000215295279 358882374 /nfs/dbraw/zinc/88/23/74/358882374.db2.gz COXNZJJNJMEXIS-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP COc1c(F)cccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000215295279 358882376 /nfs/dbraw/zinc/88/23/76/358882376.db2.gz COXNZJJNJMEXIS-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP COc1c(F)cccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000215295279 358882379 /nfs/dbraw/zinc/88/23/79/358882379.db2.gz COXNZJJNJMEXIS-BETUJISGSA-N 2 2 264.344 1.828 50 0 CDAALP CN(Cc1ccccc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000220713290 359192528 /nfs/dbraw/zinc/19/25/28/359192528.db2.gz MECHXJCNXJCAAD-UHFFFAOYSA-N 2 2 283.379 1.900 50 0 CDAALP O=C(c1cccc(-c2c[nH]c[nH+]2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426389210 360662149 /nfs/dbraw/zinc/66/21/49/360662149.db2.gz DVSNCZBLSHQMIV-OAHLLOKOSA-N 2 2 296.374 1.997 50 0 CDAALP O=C(c1cccc(-c2c[nH]c[nH+]2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000426389210 360662153 /nfs/dbraw/zinc/66/21/53/360662153.db2.gz DVSNCZBLSHQMIV-OAHLLOKOSA-N 2 2 296.374 1.997 50 0 CDAALP CCNC(=O)C[N@@H+]1C[C@@H]2C[NH+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000252485899 367572966 /nfs/dbraw/zinc/57/29/66/367572966.db2.gz BXXHIUKYTMFACF-YQQAZPJKSA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[N@H+]1C[C@@H]2C[NH+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000252485899 367572972 /nfs/dbraw/zinc/57/29/72/367572972.db2.gz BXXHIUKYTMFACF-YQQAZPJKSA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[NH+]1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000252485899 367572979 /nfs/dbraw/zinc/57/29/79/367572979.db2.gz BXXHIUKYTMFACF-YQQAZPJKSA-N 2 2 287.407 1.357 50 0 CDAALP CCNC(=O)C[NH+]1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000252485899 367572984 /nfs/dbraw/zinc/57/29/84/367572984.db2.gz BXXHIUKYTMFACF-YQQAZPJKSA-N 2 2 287.407 1.357 50 0 CDAALP CN(C)c1ncc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)s1 ZINC000020200926 171064666 /nfs/dbraw/zinc/06/46/66/171064666.db2.gz ITZFVCIKJZWISL-LBPRGKRZSA-N 2 2 298.456 1.362 50 0 CDAALP CN(C)c1ncc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)s1 ZINC000020200926 171064668 /nfs/dbraw/zinc/06/46/68/171064668.db2.gz ITZFVCIKJZWISL-LBPRGKRZSA-N 2 2 298.456 1.362 50 0 CDAALP C[C@H](C1CC[NH+](Cc2ncc[nH]2)CC1)[NH+]1CCN(C)CC1 ZINC000077505087 177276316 /nfs/dbraw/zinc/27/63/16/177276316.db2.gz YKVXXBRCHRPUHM-CQSZACIVSA-N 2 2 291.443 1.258 50 0 CDAALP CCc1c[nH+]c(N)nc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000091745908 536056753 /nfs/dbraw/zinc/05/67/53/536056753.db2.gz AXFYPLKPXVHBCS-UHFFFAOYSA-N 2 2 298.394 1.338 50 0 CDAALP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700513 1159436990 /nfs/dbraw/zinc/43/69/90/1159436990.db2.gz FXQWFGNVTUXTPC-DOMZBBRYSA-N 2 2 296.798 1.233 50 0 CDAALP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700513 1159436992 /nfs/dbraw/zinc/43/69/92/1159436992.db2.gz FXQWFGNVTUXTPC-DOMZBBRYSA-N 2 2 296.798 1.233 50 0 CDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cnc(C)cn1 ZINC001506405491 975151318 /nfs/dbraw/zinc/15/13/18/975151318.db2.gz DUXDXPTYQLDSPT-LBPRGKRZSA-N 2 2 259.357 1.722 50 0 CDAALP c1c[nH+]c(CC[NH2+][C@H]2CCN(c3ccccc3)C2)[nH]1 ZINC001506418395 975156706 /nfs/dbraw/zinc/15/67/06/975156706.db2.gz XNDDXDYHSKOLPQ-ZDUSSCGKSA-N 2 2 256.353 1.821 50 0 CDAALP Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000253371031 282185945 /nfs/dbraw/zinc/18/59/45/282185945.db2.gz ZRASOMLHLUMZES-UMVBOHGHSA-N 2 2 290.411 1.863 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000585117550 362046774 /nfs/dbraw/zinc/04/67/74/362046774.db2.gz LFRLBLBTBNEXCR-HIFRSBDPSA-N 2 2 275.396 1.969 50 0 CDAALP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192061885 362611202 /nfs/dbraw/zinc/61/12/02/362611202.db2.gz YJLYZAYACUXXSQ-LLVKDONJSA-N 2 2 287.371 1.603 50 0 CDAALP C[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000584900148 349362384 /nfs/dbraw/zinc/36/23/84/349362384.db2.gz UFRNXKMYSGNUFS-NSHDSACASA-N 2 2 281.425 1.609 50 0 CDAALP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000584900148 349362386 /nfs/dbraw/zinc/36/23/86/349362386.db2.gz UFRNXKMYSGNUFS-NSHDSACASA-N 2 2 281.425 1.609 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+]CC(C)(C)N1CCOCC1 ZINC000583651595 366016954 /nfs/dbraw/zinc/01/69/54/366016954.db2.gz PCQMZRUSYOGGEL-UHFFFAOYSA-N 2 2 277.412 1.633 50 0 CDAALP Cc1[nH+]c(N(C)C)nc(NCCCn2cc[nH+]c2)c1C ZINC000065467013 357543647 /nfs/dbraw/zinc/54/36/47/357543647.db2.gz ZGXJYTUDTHQFTG-UHFFFAOYSA-N 2 2 274.372 1.858 50 0 CDAALP OC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCSCC1 ZINC000065501540 357546030 /nfs/dbraw/zinc/54/60/30/357546030.db2.gz DLTZMPCSLKCXJJ-CYBMUJFWSA-N 2 2 258.431 1.318 50 0 CDAALP OC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCSCC1 ZINC000065501540 357546031 /nfs/dbraw/zinc/54/60/31/357546031.db2.gz DLTZMPCSLKCXJJ-CYBMUJFWSA-N 2 2 258.431 1.318 50 0 CDAALP CC(C)(C)c1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)[nH]n1 ZINC000426518290 360680107 /nfs/dbraw/zinc/68/01/07/360680107.db2.gz IORBVYPWEGTPKE-KPWCQOOUSA-N 2 2 274.412 1.889 50 0 CDAALP CC(C)(C)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)[nH]n1 ZINC000426518290 360680112 /nfs/dbraw/zinc/68/01/12/360680112.db2.gz IORBVYPWEGTPKE-KPWCQOOUSA-N 2 2 274.412 1.889 50 0 CDAALP C[NH2+][C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000178598144 189130194 /nfs/dbraw/zinc/13/01/94/189130194.db2.gz IWXKDMJKGUPSRZ-GFCCVEGCSA-N 2 2 258.325 1.158 50 0 CDAALP Fc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1F ZINC000097619248 361015175 /nfs/dbraw/zinc/01/51/75/361015175.db2.gz DAJGLCSMSPWILN-CYBMUJFWSA-N 2 2 281.350 1.444 50 0 CDAALP Cc1nnc(C[N@H+](C)CCn2cc[nH+]c2C)s1 ZINC000299758086 372746900 /nfs/dbraw/zinc/74/69/00/372746900.db2.gz AXMJPJYEKABDFI-UHFFFAOYSA-N 2 2 251.359 1.483 50 0 CDAALP Cc1nnc(C[N@@H+](C)CCn2cc[nH+]c2C)s1 ZINC000299758086 372746905 /nfs/dbraw/zinc/74/69/05/372746905.db2.gz AXMJPJYEKABDFI-UHFFFAOYSA-N 2 2 251.359 1.483 50 0 CDAALP Cc1nc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(=O)[nH]1 ZINC000244774247 189911597 /nfs/dbraw/zinc/91/15/97/189911597.db2.gz PQNWPHCGMDIORW-UHFFFAOYSA-N 2 2 276.384 1.551 50 0 CDAALP OCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C1CCCC1 ZINC000019867805 374815181 /nfs/dbraw/zinc/81/51/81/374815181.db2.gz FIMYYJCASVNWDA-CQSZACIVSA-N 2 2 278.400 1.221 50 0 CDAALP OCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C1CCCC1 ZINC000019867805 374815187 /nfs/dbraw/zinc/81/51/87/374815187.db2.gz FIMYYJCASVNWDA-CQSZACIVSA-N 2 2 278.400 1.221 50 0 CDAALP C[NH2+][C@@H](C)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000261802312 391957045 /nfs/dbraw/zinc/95/70/45/391957045.db2.gz RYCSJXXOSPWCFT-LBPRGKRZSA-N 2 2 272.352 1.518 50 0 CDAALP C[NH+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000022798661 171399227 /nfs/dbraw/zinc/39/92/27/171399227.db2.gz QXXLESWYFDJPFJ-LLVKDONJSA-N 2 2 257.378 1.147 50 0 CDAALP Fc1cccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000072147148 176325707 /nfs/dbraw/zinc/32/57/07/176325707.db2.gz CZXNNQRFPTYYRB-OAHLLOKOSA-N 2 2 277.387 1.553 50 0 CDAALP Fc1cccc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000072147148 176325709 /nfs/dbraw/zinc/32/57/09/176325709.db2.gz CZXNNQRFPTYYRB-OAHLLOKOSA-N 2 2 277.387 1.553 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072163439 176330449 /nfs/dbraw/zinc/33/04/49/176330449.db2.gz SGGBLYCMLGGADP-LBPRGKRZSA-N 2 2 284.363 1.459 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072163439 176330450 /nfs/dbraw/zinc/33/04/50/176330450.db2.gz SGGBLYCMLGGADP-LBPRGKRZSA-N 2 2 284.363 1.459 50 0 CDAALP C[N@@H+]1CCc2ncnc(N3CCC[NH+](C4CC4)CC3)c2C1 ZINC000065476326 277189426 /nfs/dbraw/zinc/18/94/26/277189426.db2.gz IOLVRRLORDYQFS-UHFFFAOYSA-N 2 2 287.411 1.139 50 0 CDAALP C[N@H+]1CCc2ncnc(N3CCC[NH+](C4CC4)CC3)c2C1 ZINC000065476326 277189427 /nfs/dbraw/zinc/18/94/27/277189427.db2.gz IOLVRRLORDYQFS-UHFFFAOYSA-N 2 2 287.411 1.139 50 0 CDAALP C[NH+]1CCc2ncnc(N3CCC[N@@H+](C4CC4)CC3)c2C1 ZINC000065476326 277189428 /nfs/dbraw/zinc/18/94/28/277189428.db2.gz IOLVRRLORDYQFS-UHFFFAOYSA-N 2 2 287.411 1.139 50 0 CDAALP C[NH+]1CCc2ncnc(N3CCC[N@H+](C4CC4)CC3)c2C1 ZINC000065476326 277189429 /nfs/dbraw/zinc/18/94/29/277189429.db2.gz IOLVRRLORDYQFS-UHFFFAOYSA-N 2 2 287.411 1.139 50 0 CDAALP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000084544262 277386084 /nfs/dbraw/zinc/38/60/84/277386084.db2.gz RSRUBCQPXLZSNE-UHFFFAOYSA-N 3 2 253.434 1.791 50 0 CDAALP c1coc(C[NH+]2CCC([NH2+]CCn3ccnn3)CC2)c1 ZINC000534665490 328344933 /nfs/dbraw/zinc/34/49/33/328344933.db2.gz ZMPFVPKMSVIKQM-UHFFFAOYSA-N 2 2 275.356 1.125 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC001704350023 1177697802 /nfs/dbraw/zinc/69/78/02/1177697802.db2.gz JUSDRRIHAHZVFV-UHFFFAOYSA-N 2 2 287.323 1.967 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC001704350023 1177697805 /nfs/dbraw/zinc/69/78/05/1177697805.db2.gz JUSDRRIHAHZVFV-UHFFFAOYSA-N 2 2 287.323 1.967 50 0 CDAALP c1cn(CC2(C[NH2+][C@H]3CN4CCC3CC4)CC2)c[nH+]1 ZINC000829078376 926233166 /nfs/dbraw/zinc/23/31/66/926233166.db2.gz IBQNVPQTOOJUIS-AWEZNQCLSA-N 2 2 260.385 1.347 50 0 CDAALP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)[nH+]c1 ZINC000065563928 361916909 /nfs/dbraw/zinc/91/69/09/361916909.db2.gz SABUSLIXTPSIGI-KBPBESRZSA-N 2 2 261.369 1.852 50 0 CDAALP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)[nH+]c1 ZINC000065563928 361916911 /nfs/dbraw/zinc/91/69/11/361916911.db2.gz SABUSLIXTPSIGI-KBPBESRZSA-N 2 2 261.369 1.852 50 0 CDAALP C[NH+](C)CC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000585124091 362054180 /nfs/dbraw/zinc/05/41/80/362054180.db2.gz PUMLVGRODNZUKC-ZDUSSCGKSA-N 2 2 276.315 1.316 50 0 CDAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1CCO[C@H](C)C1 ZINC000192753373 362698791 /nfs/dbraw/zinc/69/87/91/362698791.db2.gz DIEPXTVZOYWYCS-GDBMZVCRSA-N 2 2 292.427 1.377 50 0 CDAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000192753373 362698796 /nfs/dbraw/zinc/69/87/96/362698796.db2.gz DIEPXTVZOYWYCS-GDBMZVCRSA-N 2 2 292.427 1.377 50 0 CDAALP COCC[C@]1(CO)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000091877169 180278836 /nfs/dbraw/zinc/27/88/36/180278836.db2.gz FRMRYJTYLUUVNV-OAHLLOKOSA-N 2 2 281.400 1.384 50 0 CDAALP COCC[C@]1(CO)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000091877169 180278837 /nfs/dbraw/zinc/27/88/37/180278837.db2.gz FRMRYJTYLUUVNV-OAHLLOKOSA-N 2 2 281.400 1.384 50 0 CDAALP CCCSc1ncc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000055060731 357328433 /nfs/dbraw/zinc/32/84/33/357328433.db2.gz XSGDQKPKZZSCJI-LBPRGKRZSA-N 2 2 282.413 1.057 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000097081558 357945013 /nfs/dbraw/zinc/94/50/13/357945013.db2.gz DSJQXTFZCMWRTL-GHMZBOCLSA-N 2 2 254.374 1.400 50 0 CDAALP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097081558 357945015 /nfs/dbraw/zinc/94/50/15/357945015.db2.gz DSJQXTFZCMWRTL-GHMZBOCLSA-N 2 2 254.374 1.400 50 0 CDAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccccn2)C1 ZINC000077437338 358019064 /nfs/dbraw/zinc/01/90/64/358019064.db2.gz UVRLBQMZYSUUGG-MRXNPFEDSA-N 2 2 275.396 1.504 50 0 CDAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccn2)C1 ZINC000077437338 358019066 /nfs/dbraw/zinc/01/90/66/358019066.db2.gz UVRLBQMZYSUUGG-MRXNPFEDSA-N 2 2 275.396 1.504 50 0 CDAALP C[C@H](CN1CC2(CC[NH2+]CC2)CCC1=O)n1cc[nH+]c1 ZINC000091974273 358533539 /nfs/dbraw/zinc/53/35/39/358533539.db2.gz LWTPJODKHSAFRC-CYBMUJFWSA-N 2 2 276.384 1.436 50 0 CDAALP C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2c[nH+]c[nH]2)C1 ZINC000095356771 358683354 /nfs/dbraw/zinc/68/33/54/358683354.db2.gz PYYPDJKGVJEYSI-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP C[N@H+]1CCC[C@@H](CCC(=O)NCCc2c[nH+]c[nH]2)C1 ZINC000095356771 358683357 /nfs/dbraw/zinc/68/33/57/358683357.db2.gz PYYPDJKGVJEYSI-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2c[nH]c[nH+]2)C1 ZINC000095356771 358683361 /nfs/dbraw/zinc/68/33/61/358683361.db2.gz PYYPDJKGVJEYSI-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP C[N@H+]1CCC[C@@H](CCC(=O)NCCc2c[nH]c[nH+]2)C1 ZINC000095356771 358683362 /nfs/dbraw/zinc/68/33/62/358683362.db2.gz PYYPDJKGVJEYSI-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP Cc1nc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000215163958 358876976 /nfs/dbraw/zinc/87/69/76/358876976.db2.gz LGFAOBVJDLCXFG-UHFFFAOYSA-N 2 2 258.325 1.700 50 0 CDAALP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(OC)c1 ZINC000000182698 364093439 /nfs/dbraw/zinc/09/34/39/364093439.db2.gz ZKIKCFJGTDQDPM-UHFFFAOYSA-N 2 2 264.369 1.888 50 0 CDAALP c1ccc(C2CC[NH+]([C@@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000299804108 372773480 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360226816 /nfs/dbraw/zinc/22/68/16/360226816.db2.gz DKWAGRZRNJEZTN-UHFFFAOYSA-N 2 2 291.395 1.520 50 0 CDAALP CC[N@@H+](C1CN(C(=O)c2ccoc2)C1)C1CC[NH+](C)CC1 ZINC000409419961 360226821 /nfs/dbraw/zinc/22/68/21/360226821.db2.gz DKWAGRZRNJEZTN-UHFFFAOYSA-N 2 2 291.395 1.520 50 0 CDAALP Cc1cc(C)c(C[N@@H+]2CCC[NH2+]CC2)cc1Cn1cncn1 ZINC000426545215 360682402 /nfs/dbraw/zinc/68/24/02/360682402.db2.gz VATOMLGKVUFXHV-UHFFFAOYSA-N 2 2 299.422 1.739 50 0 CDAALP Cc1cc(C)c(C[N@H+]2CCC[NH2+]CC2)cc1Cn1cncn1 ZINC000426545215 360682404 /nfs/dbraw/zinc/68/24/04/360682404.db2.gz VATOMLGKVUFXHV-UHFFFAOYSA-N 2 2 299.422 1.739 50 0 CDAALP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnccc1Cl)C2 ZINC000426423055 360667914 /nfs/dbraw/zinc/66/79/14/360667914.db2.gz PNOFWCUMKJSERP-DDFAGTSDSA-N 2 2 251.761 1.904 50 0 CDAALP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnccc1Cl)C2 ZINC000426423055 360667919 /nfs/dbraw/zinc/66/79/19/360667919.db2.gz PNOFWCUMKJSERP-DDFAGTSDSA-N 2 2 251.761 1.904 50 0 CDAALP 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ZINC000534632083 328331887 /nfs/dbraw/zinc/33/18/87/328331887.db2.gz VWTQITNYZBEEHH-ZDUSSCGKSA-N 2 2 279.428 1.675 50 0 CDAALP CCCn1cc[nH+]c1CNC(=O)[C@@H](C)C[NH+]1CCCC1 ZINC000534660392 328342481 /nfs/dbraw/zinc/34/24/81/328342481.db2.gz PGGAPSXLXCBBHC-ZDUSSCGKSA-N 2 2 278.400 1.641 50 0 CDAALP Cc1[nH+]cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000668108351 483072975 /nfs/dbraw/zinc/07/29/75/483072975.db2.gz ZEUNJKFPCGRZGG-HNNXBMFYSA-N 2 2 292.427 1.273 50 0 CDAALP CCn1nc(C[NH2+]C[C@]2(O)CCC[NH2+]C2)c2ccccc21 ZINC000072481475 752837529 /nfs/dbraw/zinc/83/75/29/752837529.db2.gz ZIWDFHZIULCPEP-INIZCTEOSA-N 2 2 288.395 1.260 50 0 CDAALP C[N@H+](CCC[C@H]1CCCO1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072153832 936652843 /nfs/dbraw/zinc/65/28/43/936652843.db2.gz PBYWPJPDINUZQU-HNNXBMFYSA-N 2 2 278.400 1.377 50 0 CDAALP C[N@@H+](CCC[C@H]1CCCO1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072153832 936652845 /nfs/dbraw/zinc/65/28/45/936652845.db2.gz PBYWPJPDINUZQU-HNNXBMFYSA-N 2 2 278.400 1.377 50 0 CDAALP C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000823770642 925728212 /nfs/dbraw/zinc/72/82/12/925728212.db2.gz STOUEYVCTWWCCD-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP C[N@H+]1CCC[C@@H](CCC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000823770642 925728221 /nfs/dbraw/zinc/72/82/21/925728221.db2.gz STOUEYVCTWWCCD-LBPRGKRZSA-N 2 2 264.373 1.190 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC(O)(c2cccnc2)CC1 ZINC001506399681 975149104 /nfs/dbraw/zinc/14/91/04/975149104.db2.gz PLWNYWZYHJVELR-UHFFFAOYSA-N 2 2 286.379 1.341 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001506409948 975152904 /nfs/dbraw/zinc/15/29/04/975152904.db2.gz AYJFHQFURBUIPB-UHFFFAOYSA-N 3 2 262.401 1.380 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001506409948 975152906 /nfs/dbraw/zinc/15/29/06/975152906.db2.gz AYJFHQFURBUIPB-UHFFFAOYSA-N 3 2 262.401 1.380 50 0 CDAALP COCC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000096456185 230377371 /nfs/dbraw/zinc/37/73/71/230377371.db2.gz YSRRIUOVNUDCFA-ZDUSSCGKSA-N 2 2 264.373 1.616 50 0 CDAALP COCC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000096456185 230377372 /nfs/dbraw/zinc/37/73/72/230377372.db2.gz YSRRIUOVNUDCFA-ZDUSSCGKSA-N 2 2 264.373 1.616 50 0 CDAALP CO[C@]1(C[NH2+]CCc2cc[nH+]cc2C)CCOC1 ZINC000397547632 345221628 /nfs/dbraw/zinc/22/16/28/345221628.db2.gz OUHFOMXMNMLLCX-AWEZNQCLSA-N 2 2 250.342 1.328 50 0 CDAALP C[NH+]1CCN(Nc2cc(-c3ccccc3)nc[nH+]2)CC1 ZINC000036708956 362840420 /nfs/dbraw/zinc/84/04/20/362840420.db2.gz UMRIMSXLPDDGEB-UHFFFAOYSA-N 2 2 269.352 1.718 50 0 CDAALP COc1cc2c(cc1OC)C[N@H+](CCC[NH3+])CC2 ZINC000011953190 356284948 /nfs/dbraw/zinc/28/49/48/356284948.db2.gz NAIOKJKKMHITGC-UHFFFAOYSA-N 2 2 250.342 1.411 50 0 biogenic CDAALP COc1cc2c(cc1OC)C[N@@H+](CCC[NH3+])CC2 ZINC000011953190 356284950 /nfs/dbraw/zinc/28/49/50/356284950.db2.gz NAIOKJKKMHITGC-UHFFFAOYSA-N 2 2 250.342 1.411 50 0 biogenic CDAALP C[C@@H]1CNC(=O)CC[N@@H+]1C1CC[NH+](Cc2ccco2)CC1 ZINC000065419878 357540587 /nfs/dbraw/zinc/54/05/87/357540587.db2.gz CQJPTYJANHPWLY-CYBMUJFWSA-N 2 2 291.395 1.454 50 0 CDAALP C[C@@H]1CNC(=O)CC[N@H+]1C1CC[NH+](Cc2ccco2)CC1 ZINC000065419878 357540589 /nfs/dbraw/zinc/54/05/89/357540589.db2.gz CQJPTYJANHPWLY-CYBMUJFWSA-N 2 2 291.395 1.454 50 0 CDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072430954 357834908 /nfs/dbraw/zinc/83/49/08/357834908.db2.gz AKVHZOAFAWMFGL-WDEREUQCSA-N 2 2 282.413 1.195 50 0 CDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)c1 ZINC000097203804 358191264 /nfs/dbraw/zinc/19/12/64/358191264.db2.gz XSXXEZWGTCKKED-ZDUSSCGKSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)c1 ZINC000097203804 358191269 /nfs/dbraw/zinc/19/12/69/358191269.db2.gz XSXXEZWGTCKKED-ZDUSSCGKSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)c1 ZINC000097203806 358191363 /nfs/dbraw/zinc/19/13/63/358191363.db2.gz XSXXEZWGTCKKED-CYBMUJFWSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)c1 ZINC000097203806 358191365 /nfs/dbraw/zinc/19/13/65/358191365.db2.gz XSXXEZWGTCKKED-CYBMUJFWSA-N 2 2 297.424 1.168 50 0 CDAALP Fc1c[nH+]ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000096139725 358709249 /nfs/dbraw/zinc/70/92/49/358709249.db2.gz SLLPEIJVODYUKK-UHFFFAOYSA-N 2 2 279.359 1.769 50 0 CDAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000263865422 131348978 /nfs/dbraw/zinc/34/89/78/131348978.db2.gz YHJUAHLEPJCURJ-OAHLLOKOSA-N 2 2 284.363 1.311 50 0 CDAALP c1c(C[N@@H+]2CCOC3(CCCC3)C2)nn2c1C[NH2+]CCC2 ZINC000072143209 176323997 /nfs/dbraw/zinc/32/39/97/176323997.db2.gz CFGQMPVABCRQRS-UHFFFAOYSA-N 2 2 290.411 1.521 50 0 CDAALP c1c(C[N@H+]2CCOC3(CCCC3)C2)nn2c1C[NH2+]CCC2 ZINC000072143209 176323999 /nfs/dbraw/zinc/32/39/99/176323999.db2.gz CFGQMPVABCRQRS-UHFFFAOYSA-N 2 2 290.411 1.521 50 0 CDAALP Cc1nc(N[C@@H]2CC[NH2+]C[C@H]2O)c(C(C)C)c[nH+]1 ZINC000534647842 328343100 /nfs/dbraw/zinc/34/31/00/328343100.db2.gz DNPLABLVWFZGJR-VXGBXAGGSA-N 2 2 250.346 1.043 50 0 CDAALP C[NH+](C)[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000534676912 328351975 /nfs/dbraw/zinc/35/19/75/328351975.db2.gz RHYWQNRGBXEUHF-AWEZNQCLSA-N 2 2 290.342 1.510 50 0 CDAALP C[NH+](C)C1(CNC(=O)[C@H]2CC23CCC3)CC[NH+](C)CC1 ZINC000670442321 482989605 /nfs/dbraw/zinc/98/96/05/482989605.db2.gz LLCCVCIZYPKOHC-CYBMUJFWSA-N 2 2 279.428 1.319 50 0 CDAALP Nc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000952880666 910442407 /nfs/dbraw/zinc/44/24/07/910442407.db2.gz CYLOAIWLEMXECK-UHFFFAOYSA-N 2 2 291.399 1.140 50 0 CDAALP CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([NH3+])CC2)c1C ZINC000244707796 361856647 /nfs/dbraw/zinc/85/66/47/361856647.db2.gz KHRPQTPIPCWRGY-ZDUSSCGKSA-N 2 2 293.415 1.272 50 0 CDAALP CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H]([NH3+])CC2)c1C ZINC000244707796 361856649 /nfs/dbraw/zinc/85/66/49/361856649.db2.gz KHRPQTPIPCWRGY-ZDUSSCGKSA-N 2 2 293.415 1.272 50 0 CDAALP CCNC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065542374 361913465 /nfs/dbraw/zinc/91/34/65/361913465.db2.gz BZVMTIHHIKSTAA-ZDUSSCGKSA-N 2 2 276.384 1.342 50 0 CDAALP CCNC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065542374 361913470 /nfs/dbraw/zinc/91/34/70/361913470.db2.gz BZVMTIHHIKSTAA-ZDUSSCGKSA-N 2 2 276.384 1.342 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)[nH]1 ZINC000091651603 180217295 /nfs/dbraw/zinc/21/72/95/180217295.db2.gz AOHQZPMIDPBOBV-JKSUJKDBSA-N 2 2 297.406 1.901 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)[nH]1 ZINC000091651603 180217298 /nfs/dbraw/zinc/21/72/98/180217298.db2.gz AOHQZPMIDPBOBV-JKSUJKDBSA-N 2 2 297.406 1.901 50 0 CDAALP O=C1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CN1C1CCCCCC1 ZINC000011818866 356279564 /nfs/dbraw/zinc/27/95/64/356279564.db2.gz JMRMAEHRRSNDDH-GFCCVEGCSA-N 2 2 276.384 1.823 50 0 CDAALP Cn1ncc2c1nc[nH+]c2N1CCN(c2cc[nH+]cc2)CC1 ZINC000022018886 356596928 /nfs/dbraw/zinc/59/69/28/356596928.db2.gz YSBBREPATJDPMI-UHFFFAOYSA-N 2 2 295.350 1.085 50 0 CDAALP Nc1ncccc1C[N@@H+]1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077406085 358019003 /nfs/dbraw/zinc/01/90/03/358019003.db2.gz IOEMTTWALLKRJD-MRXNPFEDSA-N 2 2 290.411 1.087 50 0 CDAALP Nc1ncccc1C[N@H+]1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077406085 358019006 /nfs/dbraw/zinc/01/90/06/358019006.db2.gz IOEMTTWALLKRJD-MRXNPFEDSA-N 2 2 290.411 1.087 50 0 CDAALP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[NH+]1CCOCC1 ZINC000026711325 359441597 /nfs/dbraw/zinc/44/15/97/359441597.db2.gz ZAIBLKIWAXRPOP-ZDUSSCGKSA-N 2 2 275.352 1.038 50 0 CDAALP Cc1cc(C)n2ncc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4[NH3+])c2n1 ZINC000426661174 360693374 /nfs/dbraw/zinc/69/33/74/360693374.db2.gz DFABBUODCBUCBA-NHAGDIPZSA-N 2 2 285.395 1.515 50 0 CDAALP Cc1cc(C)n2ncc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@H]4[NH3+])c2n1 ZINC000426661174 360693377 /nfs/dbraw/zinc/69/33/77/360693377.db2.gz DFABBUODCBUCBA-NHAGDIPZSA-N 2 2 285.395 1.515 50 0 CDAALP C[N@H+](Cc1ccncc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000130393297 360948799 /nfs/dbraw/zinc/94/87/99/360948799.db2.gz UGNKMDCHOOGNFX-UHFFFAOYSA-N 2 2 299.422 1.875 50 0 CDAALP C[N@@H+](Cc1ccncc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000130393297 360948801 /nfs/dbraw/zinc/94/88/01/360948801.db2.gz UGNKMDCHOOGNFX-UHFFFAOYSA-N 2 2 299.422 1.875 50 0 CDAALP CCn1nccc1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000253420292 373730232 /nfs/dbraw/zinc/73/02/32/373730232.db2.gz HEEXWLJIQCGHSN-OAHLLOKOSA-N 2 2 292.427 1.100 50 0 CDAALP CCn1nccc1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000253420292 373730238 /nfs/dbraw/zinc/73/02/38/373730238.db2.gz HEEXWLJIQCGHSN-OAHLLOKOSA-N 2 2 292.427 1.100 50 0 CDAALP Oc1ccccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000095409715 374913223 /nfs/dbraw/zinc/91/32/23/374913223.db2.gz USMXMLMVTBDVBO-UHFFFAOYSA-N 2 2 272.352 1.411 50 0 CDAALP COc1cc(C)ccc1OCCC[NH2+]CC[NH+](C)C ZINC000020418833 171183808 /nfs/dbraw/zinc/18/38/08/171183808.db2.gz WRJFNCIWTLZTAY-UHFFFAOYSA-N 2 2 266.385 1.924 50 0 CDAALP c1cn(CCC[NH2+]Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000035268968 172091776 /nfs/dbraw/zinc/09/17/76/172091776.db2.gz MJUFSZPPLGLJQG-UHFFFAOYSA-N 2 2 273.336 1.834 50 0 CDAALP NC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2n2cc[nH+]c2)CC1 ZINC000037314056 173115679 /nfs/dbraw/zinc/11/56/79/173115679.db2.gz XCYRZWGSEXYOKU-STQMWFEESA-N 2 2 277.372 1.109 50 0 CDAALP Oc1cccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077392939 177262958 /nfs/dbraw/zinc/26/29/58/177262958.db2.gz XBDRDYYWYPCPLL-KRWDZBQOSA-N 2 2 290.407 1.815 50 0 CDAALP Oc1cccc(C[N@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077392939 177262960 /nfs/dbraw/zinc/26/29/60/177262960.db2.gz XBDRDYYWYPCPLL-KRWDZBQOSA-N 2 2 290.407 1.815 50 0 CDAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccncc2)C1 ZINC000077503378 177275950 /nfs/dbraw/zinc/27/59/50/177275950.db2.gz FFFMWUUHAIPIQT-MRXNPFEDSA-N 2 2 275.396 1.504 50 0 CDAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000077503378 177275952 /nfs/dbraw/zinc/27/59/52/177275952.db2.gz FFFMWUUHAIPIQT-MRXNPFEDSA-N 2 2 275.396 1.504 50 0 CDAALP C[C@@H](C[NH+]1CCCCCC1)NCCc1[nH]cc[nH+]1 ZINC000534588326 328316621 /nfs/dbraw/zinc/31/66/21/328316621.db2.gz SFQOKZROCFMZAY-ZDUSSCGKSA-N 2 2 250.390 1.806 50 0 CDAALP C[C@@H](CN1CCCCCC1)[NH2+]CCc1[nH]cc[nH+]1 ZINC000534588326 328316622 /nfs/dbraw/zinc/31/66/22/328316622.db2.gz SFQOKZROCFMZAY-ZDUSSCGKSA-N 2 2 250.390 1.806 50 0 CDAALP COc1cc[nH+]c(CN2CCCC[C@@H]([NH3+])C2)c1OC ZINC000082107135 482762637 /nfs/dbraw/zinc/76/26/37/482762637.db2.gz MYGGCWUQLLEWPL-LLVKDONJSA-N 2 2 265.357 1.412 50 0 CDAALP Cc1cccc(NC[C@H](c2cnn(C)c2)[NH+](C)C)[nH+]1 ZINC000097096645 567904011 /nfs/dbraw/zinc/90/40/11/567904011.db2.gz GIKQKFFUSJKIOT-CYBMUJFWSA-N 2 2 259.357 1.838 50 0 CDAALP O=c1cc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)nc[nH]1 ZINC001506403607 975150726 /nfs/dbraw/zinc/15/07/26/975150726.db2.gz UPGDYSMAXFUFMS-CYBMUJFWSA-N 2 2 287.367 1.648 50 0 CDAALP O=c1cc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)nc[nH]1 ZINC001506403607 975150728 /nfs/dbraw/zinc/15/07/28/975150728.db2.gz UPGDYSMAXFUFMS-CYBMUJFWSA-N 2 2 287.367 1.648 50 0 CDAALP C[C@@H](CCc1ccccc1)NC(=O)C[NH2+]CCC[NH+](C)C ZINC000002632783 230367327 /nfs/dbraw/zinc/36/73/27/230367327.db2.gz DLOHZKDIBOAONQ-HNNXBMFYSA-N 2 2 291.439 1.665 50 0 CDAALP Cc1cccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000002630966 230367450 /nfs/dbraw/zinc/36/74/50/230367450.db2.gz JLUXMUOTISGGDF-HNNXBMFYSA-N 2 2 289.379 1.611 50 0 CDAALP CCc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CCO ZINC000244605546 361853873 /nfs/dbraw/zinc/85/38/73/361853873.db2.gz FAQLDSOAXIYNHY-CYBMUJFWSA-N 2 2 251.374 1.682 50 0 CDAALP CCc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CCO ZINC000244605546 361853876 /nfs/dbraw/zinc/85/38/76/361853876.db2.gz FAQLDSOAXIYNHY-CYBMUJFWSA-N 2 2 251.374 1.682 50 0 CDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@H]([NH2+]C2CCCC2)C1 ZINC000244718746 361859031 /nfs/dbraw/zinc/85/90/31/361859031.db2.gz LQDZYGYOWBWCDN-AULYBMBSSA-N 2 2 277.416 1.655 50 0 CDAALP OCc1cc[nH+]c(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000585133006 362057427 /nfs/dbraw/zinc/05/74/27/362057427.db2.gz MIOKWMXHZUQMGI-OAHLLOKOSA-N 2 2 291.395 1.123 50 0 CDAALP CN(CCn1cc[nH+]c1)C(=O)C[N@H+](C)C1CCCC1 ZINC000584890776 349349772 /nfs/dbraw/zinc/34/97/72/349349772.db2.gz NWSMYBKZJBNLRO-UHFFFAOYSA-N 2 2 264.373 1.216 50 0 CDAALP CN(CCn1cc[nH+]c1)C(=O)C[N@@H+](C)C1CCCC1 ZINC000584890776 349349775 /nfs/dbraw/zinc/34/97/75/349349775.db2.gz NWSMYBKZJBNLRO-UHFFFAOYSA-N 2 2 264.373 1.216 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)[nH]1 ZINC000091819234 180262838 /nfs/dbraw/zinc/26/28/38/180262838.db2.gz KXZMBQRVFPBHFY-JKSUJKDBSA-N 2 2 297.406 1.901 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC000091819234 180262840 /nfs/dbraw/zinc/26/28/40/180262840.db2.gz KXZMBQRVFPBHFY-JKSUJKDBSA-N 2 2 297.406 1.901 50 0 CDAALP CC(=O)c1c(=O)cc(C)oc1[NH2+]Nc1cc[nH+]cc1 ZINC000002581701 355976159 /nfs/dbraw/zinc/97/61/59/355976159.db2.gz MOSZAHSSBXDYFL-UHFFFAOYSA-N 2 2 259.265 1.985 50 0 CDAALP c1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000020072928 356525375 /nfs/dbraw/zinc/52/53/75/356525375.db2.gz YBHAJIYLLVWXBK-CQSZACIVSA-N 2 2 260.385 1.203 50 0 CDAALP CNc1cc[nH+]c(N(C)CC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000065405015 357538028 /nfs/dbraw/zinc/53/80/28/357538028.db2.gz CQZPUYVQCBICBE-LBPRGKRZSA-N 2 2 263.389 1.829 50 0 CDAALP CNc1cc[nH+]c(N(C)CC[N@H+]2CCCC[C@@H]2C)n1 ZINC000065405015 357538032 /nfs/dbraw/zinc/53/80/32/357538032.db2.gz CQZPUYVQCBICBE-LBPRGKRZSA-N 2 2 263.389 1.829 50 0 CDAALP [NH3+][C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C[C@H]1O ZINC000082115844 358147756 /nfs/dbraw/zinc/14/77/56/358147756.db2.gz GYANWKQJZXFHQD-UKRRQHHQSA-N 2 2 280.343 1.183 50 0 CDAALP [NH3+][C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C[C@H]1O ZINC000082115844 358147758 /nfs/dbraw/zinc/14/77/58/358147758.db2.gz GYANWKQJZXFHQD-UKRRQHHQSA-N 2 2 280.343 1.183 50 0 CDAALP C[N@@H+]1CCC[C@@H](CCC(=O)NCCn2cc[nH+]c2)C1 ZINC000095372975 358688825 /nfs/dbraw/zinc/68/88/25/358688825.db2.gz NUSUDRGRICSZIL-ZDUSSCGKSA-N 2 2 264.373 1.121 50 0 CDAALP C[N@H+]1CCC[C@@H](CCC(=O)NCCn2cc[nH+]c2)C1 ZINC000095372975 358688827 /nfs/dbraw/zinc/68/88/27/358688827.db2.gz NUSUDRGRICSZIL-ZDUSSCGKSA-N 2 2 264.373 1.121 50 0 CDAALP CN(Cc1cccc(O)c1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223208222 359407211 /nfs/dbraw/zinc/40/72/11/359407211.db2.gz ADFNQAZTIOWGBD-UHFFFAOYSA-N 2 2 299.378 1.606 50 0 CDAALP Cc1nn(C[C@@H](C)[N@@H+]2CCC[NH2+]CC2)c(C)c1Cl ZINC000426500108 360677651 /nfs/dbraw/zinc/67/76/51/360677651.db2.gz MUKGNDAPVDARKQ-SNVBAGLBSA-N 2 2 270.808 1.837 50 0 CDAALP Cc1nn(C[C@@H](C)[N@H+]2CCC[NH2+]CC2)c(C)c1Cl ZINC000426500108 360677654 /nfs/dbraw/zinc/67/76/54/360677654.db2.gz MUKGNDAPVDARKQ-SNVBAGLBSA-N 2 2 270.808 1.837 50 0 CDAALP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000089938740 366972584 /nfs/dbraw/zinc/97/25/84/366972584.db2.gz WSGDELOWVIHBOO-GFCCVEGCSA-N 2 2 285.351 1.043 50 0 CDAALP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000089938740 366972590 /nfs/dbraw/zinc/97/25/90/366972590.db2.gz WSGDELOWVIHBOO-GFCCVEGCSA-N 2 2 285.351 1.043 50 0 CDAALP CCNC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003605 367006208 /nfs/dbraw/zinc/00/62/08/367006208.db2.gz ARTWZSGOQRNEIU-ZDUSSCGKSA-N 2 2 278.400 1.201 50 0 CDAALP CCNC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003605 367006216 /nfs/dbraw/zinc/00/62/16/367006216.db2.gz ARTWZSGOQRNEIU-ZDUSSCGKSA-N 2 2 278.400 1.201 50 0 CDAALP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000253420358 373730345 /nfs/dbraw/zinc/73/03/45/373730345.db2.gz RMBJNWLOVJPAEF-LBPRGKRZSA-N 2 2 272.352 1.552 50 0 CDAALP Cc1nc(N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc[nH+]1 ZINC000095376225 374893298 /nfs/dbraw/zinc/89/32/98/374893298.db2.gz ZSNLPCCIBRKNNT-KGLIPLIRSA-N 2 2 278.400 1.314 50 0 CDAALP COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C2)cn1 ZINC000095420408 374922988 /nfs/dbraw/zinc/92/29/88/374922988.db2.gz MEFLVUJUMLGTMG-JSGCOSHPSA-N 2 2 279.384 1.289 50 0 CDAALP COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C2)cn1 ZINC000095420408 374922996 /nfs/dbraw/zinc/92/29/96/374922996.db2.gz MEFLVUJUMLGTMG-JSGCOSHPSA-N 2 2 279.384 1.289 50 0 CDAALP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000241644684 391680731 /nfs/dbraw/zinc/68/07/31/391680731.db2.gz PSRNQYBYGGQHTJ-KFWWJZLASA-N 2 2 293.455 1.896 50 0 CDAALP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000241644684 391680735 /nfs/dbraw/zinc/68/07/35/391680735.db2.gz PSRNQYBYGGQHTJ-KFWWJZLASA-N 2 2 293.455 1.896 50 0 CDAALP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000299753348 393199779 /nfs/dbraw/zinc/19/97/79/393199779.db2.gz XXMLJLGVMBYGFU-GZBFAFLISA-N 2 2 292.427 1.575 50 0 CDAALP C[C@@H](C[NH+]1CCCCC1)C(=O)NCc1ccc[nH+]c1N ZINC000534645986 328332364 /nfs/dbraw/zinc/33/23/64/328332364.db2.gz UFEIMASJUWXZHS-LBPRGKRZSA-N 2 2 276.384 1.402 50 0 CDAALP CCn1ccnc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000083843634 323207294 /nfs/dbraw/zinc/20/72/94/323207294.db2.gz LGOCWKVHEQELPQ-GFCCVEGCSA-N 2 2 259.357 1.767 50 0 CDAALP [NH3+][C@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000050243252 527411365 /nfs/dbraw/zinc/41/13/65/527411365.db2.gz GQECXAZGOCZJAF-JTQLQIEISA-N 2 2 250.733 1.521 50 0 CDAALP Cc1[nH]c(CN(CC[NH+](C)C)C(=O)C[C@H]2C=CCC2)c[nH+]1 ZINC001772702414 1159437327 /nfs/dbraw/zinc/43/73/27/1159437327.db2.gz RVOKXNPEWGRMBP-AWEZNQCLSA-N 2 2 290.411 1.965 50 0 CDAALP Cc1[nH]cc(CN(CC[NH+](C)C)C(=O)C[C@H]2C=CCC2)[nH+]1 ZINC001772702414 1159437328 /nfs/dbraw/zinc/43/73/28/1159437328.db2.gz RVOKXNPEWGRMBP-AWEZNQCLSA-N 2 2 290.411 1.965 50 0 CDAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000824412472 925821605 /nfs/dbraw/zinc/82/16/05/925821605.db2.gz WIURQBOQQVXGCL-AWEZNQCLSA-N 2 2 278.400 1.185 50 0 CDAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000824412472 925821613 /nfs/dbraw/zinc/82/16/13/925821613.db2.gz WIURQBOQQVXGCL-AWEZNQCLSA-N 2 2 278.400 1.185 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cnc(C)nc2)C1 ZINC000824412472 925821621 /nfs/dbraw/zinc/82/16/21/925821621.db2.gz WIURQBOQQVXGCL-AWEZNQCLSA-N 2 2 278.400 1.185 50 0 CDAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000824412472 925821629 /nfs/dbraw/zinc/82/16/29/925821629.db2.gz WIURQBOQQVXGCL-AWEZNQCLSA-N 2 2 278.400 1.185 50 0 CDAALP O=C(c1ccccn1)[C@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC001529192000 969010658 /nfs/dbraw/zinc/01/06/58/969010658.db2.gz MTPZBCIMBNFWAJ-ZDUSSCGKSA-N 2 2 284.363 1.942 50 0 CDAALP Cn1cc[nH+]c1CC[N@H+](C)C[C@@H](O)c1ccccc1 ZINC001506408956 975153427 /nfs/dbraw/zinc/15/34/27/975153427.db2.gz NZBDOGHNYIBHGL-CQSZACIVSA-N 2 2 259.353 1.628 50 0 CDAALP Cn1cc[nH+]c1CC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC001506408956 975153429 /nfs/dbraw/zinc/15/34/29/975153429.db2.gz NZBDOGHNYIBHGL-CQSZACIVSA-N 2 2 259.353 1.628 50 0 CDAALP c1c(CC[NH2+][C@@H]2C[NH+]3CCC2CC3)nc2ccccn12 ZINC000584895978 349357552 /nfs/dbraw/zinc/35/75/52/349357552.db2.gz HXRADYOAMWPOHC-OAHLLOKOSA-N 2 2 270.380 1.561 50 0 CDAALP c1ccc2c(c1)N(CC[NH+]1CCOCC1)C1=[NH+]CCN21 ZINC000013590490 356349664 /nfs/dbraw/zinc/34/96/64/356349664.db2.gz LHGPXSYLXXNAQV-UHFFFAOYSA-N 2 2 272.352 1.015 50 0 CDAALP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000019147966 356476446 /nfs/dbraw/zinc/47/64/46/356476446.db2.gz OSJDPBSAWVMZTQ-AWEZNQCLSA-N 2 2 290.411 1.638 50 0 CDAALP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000019147966 356476450 /nfs/dbraw/zinc/47/64/50/356476450.db2.gz OSJDPBSAWVMZTQ-AWEZNQCLSA-N 2 2 290.411 1.638 50 0 CDAALP CNc1cc(N2CCC([C@@H](C)[NH+](C)C)CC2)nc(N)[nH+]1 ZINC000096152862 357175153 /nfs/dbraw/zinc/17/51/53/357175153.db2.gz OSBBKYSNYKZRDF-SNVBAGLBSA-N 2 2 278.404 1.267 50 0 CDAALP CNc1cc(N2CCC([C@@H](C)[NH+](C)C)CC2)[nH+]c(N)n1 ZINC000096152862 357175159 /nfs/dbraw/zinc/17/51/59/357175159.db2.gz OSBBKYSNYKZRDF-SNVBAGLBSA-N 2 2 278.404 1.267 50 0 CDAALP CCc1c(C)[nH+]c(N)nc1NC[C@H](CC)[NH+]1CCOCC1 ZINC000095379372 358689548 /nfs/dbraw/zinc/68/95/48/358689548.db2.gz QBAQMNDGLZBFRU-LBPRGKRZSA-N 2 2 293.415 1.452 50 0 CDAALP COCC[N@@H+]1CC[C@H](CN(C)Cc2[nH]cc(C)[nH+]2)C1 ZINC000097785190 358799096 /nfs/dbraw/zinc/79/90/96/358799096.db2.gz GBBVMBLLFKBNST-CYBMUJFWSA-N 2 2 266.389 1.118 50 0 CDAALP COCC[N@H+]1CC[C@H](CN(C)Cc2[nH]cc(C)[nH+]2)C1 ZINC000097785190 358799099 /nfs/dbraw/zinc/79/90/99/358799099.db2.gz GBBVMBLLFKBNST-CYBMUJFWSA-N 2 2 266.389 1.118 50 0 CDAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000426615124 360690193 /nfs/dbraw/zinc/69/01/93/360690193.db2.gz JZYHPZQYAASOFG-SNVBAGLBSA-N 2 2 288.317 1.975 50 0 CDAALP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000426615124 360690197 /nfs/dbraw/zinc/69/01/97/360690197.db2.gz JZYHPZQYAASOFG-SNVBAGLBSA-N 2 2 288.317 1.975 50 0 CDAALP Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)[nH+]cn1 ZINC000426372114 360659516 /nfs/dbraw/zinc/65/95/16/360659516.db2.gz POVFHYTVHIMIFO-INIZCTEOSA-N 2 2 287.411 1.761 50 0 CDAALP Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)[nH+]cn1 ZINC000426372114 360659521 /nfs/dbraw/zinc/65/95/21/360659521.db2.gz POVFHYTVHIMIFO-INIZCTEOSA-N 2 2 287.411 1.761 50 0 CDAALP C[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000037786308 392619739 /nfs/dbraw/zinc/61/97/39/392619739.db2.gz NPOCGLZOKUPYTA-UHFFFAOYSA-N 3 2 253.434 1.933 50 0 CDAALP Cc1cc(N)nc(SCCC[NH+]2CCOCC2)[nH+]1 ZINC000195336058 140153565 /nfs/dbraw/zinc/15/35/65/140153565.db2.gz GROVRLNXHHZKQV-UHFFFAOYSA-N 2 2 268.386 1.182 50 0 CDAALP [NH3+][C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)CC1 ZINC000072146668 176324800 /nfs/dbraw/zinc/32/48/00/176324800.db2.gz BRGSNGNGCDVSEO-LBPRGKRZSA-N 2 2 288.351 1.478 50 0 CDAALP CC(C)C[C@H](C[NH3+])CC(=O)OCCc1c[nH+]cn1C ZINC000408525730 279134096 /nfs/dbraw/zinc/13/40/96/279134096.db2.gz XVUYXDPUQGSLIN-LBPRGKRZSA-N 2 2 267.373 1.517 50 0 CDAALP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C)c(C)n2C)C1 ZINC000952968974 616348747 /nfs/dbraw/zinc/34/87/47/616348747.db2.gz QEZHXLDQSAXUGA-OAHLLOKOSA-N 2 2 294.443 1.485 50 0 CDAALP COCC[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C)c(C)n2C)C1 ZINC000952968974 616348749 /nfs/dbraw/zinc/34/87/49/616348749.db2.gz QEZHXLDQSAXUGA-OAHLLOKOSA-N 2 2 294.443 1.485 50 0 CDAALP C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000585116904 362044450 /nfs/dbraw/zinc/04/44/50/362044450.db2.gz MCGGYGOXRBGGHZ-JLJPHGGASA-N 2 2 289.423 1.936 50 0 CDAALP C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H](C)[NH2+]1 ZINC000179152407 362252055 /nfs/dbraw/zinc/25/20/55/362252055.db2.gz RGJNPNFPNSKBBT-QWRGUYRKSA-N 2 2 258.325 1.157 50 0 CDAALP COc1cc[nH+]c(N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000104719601 186018493 /nfs/dbraw/zinc/01/84/93/186018493.db2.gz WMSVKOIHEWNJAG-UHFFFAOYSA-N 2 2 298.390 1.850 50 0 CDAALP Cc1cc(CNc2nc(N3CC[C@H](O)C3)cc[nH+]2)c[nH+]c1C ZINC000065396254 363031322 /nfs/dbraw/zinc/03/13/22/363031322.db2.gz PGHCKBACIPKWCK-AWEZNQCLSA-N 2 2 299.378 1.672 50 0 CDAALP OC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCSCC1 ZINC000065501535 357545979 /nfs/dbraw/zinc/54/59/79/357545979.db2.gz DLTZMPCSLKCXJJ-ZDUSSCGKSA-N 2 2 258.431 1.318 50 0 CDAALP OC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCSCC1 ZINC000065501535 357545982 /nfs/dbraw/zinc/54/59/82/357545982.db2.gz DLTZMPCSLKCXJJ-ZDUSSCGKSA-N 2 2 258.431 1.318 50 0 CDAALP Cc1cc(C[NH2+]C[C@@]2(O)CCC[NH2+]C2)c(C(F)(F)F)o1 ZINC000072423591 357834101 /nfs/dbraw/zinc/83/41/01/357834101.db2.gz QJJWFJCMAXOYTD-GFCCVEGCSA-N 2 2 292.301 1.811 50 0 CDAALP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000097095598 357953017 /nfs/dbraw/zinc/95/30/17/357953017.db2.gz PEVXQZZFTPZMHT-NSHDSACASA-N 2 2 265.357 1.233 50 0 CDAALP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000097095598 357953028 /nfs/dbraw/zinc/95/30/28/357953028.db2.gz PEVXQZZFTPZMHT-NSHDSACASA-N 2 2 265.357 1.233 50 0 CDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215305793 358883109 /nfs/dbraw/zinc/88/31/09/358883109.db2.gz OSXNOLGTCPJOIE-OAHLLOKOSA-N 2 2 298.390 1.849 50 0 CDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215305793 358883115 /nfs/dbraw/zinc/88/31/15/358883115.db2.gz OSXNOLGTCPJOIE-OAHLLOKOSA-N 2 2 298.390 1.849 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426491018 360575083 /nfs/dbraw/zinc/57/50/83/360575083.db2.gz HAAGQLSXXGZPHA-LLVKDONJSA-N 2 2 264.373 1.599 50 0 CDAALP Fc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1F ZINC000097619250 361015660 /nfs/dbraw/zinc/01/56/60/361015660.db2.gz DAJGLCSMSPWILN-ZDUSSCGKSA-N 2 2 281.350 1.444 50 0 CDAALP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000089938742 366972221 /nfs/dbraw/zinc/97/22/21/366972221.db2.gz WSGDELOWVIHBOO-LBPRGKRZSA-N 2 2 285.351 1.043 50 0 CDAALP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000089938742 366972225 /nfs/dbraw/zinc/97/22/25/366972225.db2.gz WSGDELOWVIHBOO-LBPRGKRZSA-N 2 2 285.351 1.043 50 0 CDAALP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC000242389382 376021514 /nfs/dbraw/zinc/02/15/14/376021514.db2.gz ZWRNOUPGVGKTED-KGLIPLIRSA-N 2 2 276.384 1.358 50 0 CDAALP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC000242389382 376021523 /nfs/dbraw/zinc/02/15/23/376021523.db2.gz ZWRNOUPGVGKTED-KGLIPLIRSA-N 2 2 276.384 1.358 50 0 CDAALP CC(C[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000241884822 391680770 /nfs/dbraw/zinc/68/07/70/391680770.db2.gz SYBPFBQJBJGVKB-VGWMRTNUSA-N 2 2 284.444 1.841 50 0 CDAALP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[NH+](C)C ZINC000005209763 170076257 /nfs/dbraw/zinc/07/62/57/170076257.db2.gz AVMIBPMHZHYMHN-UHFFFAOYSA-N 2 2 274.368 1.413 50 0 CDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)C(C)C)[nH+]cn1 ZINC000036705787 172655980 /nfs/dbraw/zinc/65/59/80/172655980.db2.gz QFFDVQGQXMFRDN-UHFFFAOYSA-N 2 2 288.355 1.155 50 0 CDAALP Cc1[nH+]ccn1CCn1cc[nH+]c1C1CC[NH+](C)CC1 ZINC000071415713 176160406 /nfs/dbraw/zinc/16/04/06/176160406.db2.gz KAQZFUGGXAAYPF-UHFFFAOYSA-N 3 2 273.384 1.897 50 0 CDAALP C[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCn1ccnn1 ZINC000534638679 328334939 /nfs/dbraw/zinc/33/49/39/328334939.db2.gz ICYUVQLWTMLUPW-AWEZNQCLSA-N 2 2 285.395 1.315 50 0 CDAALP C[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCn1ccnn1 ZINC000534638679 328334940 /nfs/dbraw/zinc/33/49/40/328334940.db2.gz ICYUVQLWTMLUPW-AWEZNQCLSA-N 2 2 285.395 1.315 50 0 CDAALP Cc1[nH+]ccn1CCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000534656785 328340501 /nfs/dbraw/zinc/34/05/01/328340501.db2.gz JBJJVUABMBDZSX-CQSZACIVSA-N 2 2 287.367 1.583 50 0 CDAALP CO[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000670453311 483022790 /nfs/dbraw/zinc/02/27/90/483022790.db2.gz UTNYKCKRUBVDOS-AWEZNQCLSA-N 2 2 264.369 1.965 50 0 CDAALP CO[C@H]1CC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000670453311 483022795 /nfs/dbraw/zinc/02/27/95/483022795.db2.gz UTNYKCKRUBVDOS-AWEZNQCLSA-N 2 2 264.369 1.965 50 0 CDAALP C[N@@H+]1CCCC[C@H]1CC(=O)NCCCc1[nH]cc[nH+]1 ZINC000426361901 902490003 /nfs/dbraw/zinc/49/00/03/902490003.db2.gz GNFXICMVKXHDIO-LBPRGKRZSA-N 2 2 264.373 1.333 50 0 CDAALP C[N@H+]1CCCC[C@H]1CC(=O)NCCCc1[nH]cc[nH+]1 ZINC000426361901 902490012 /nfs/dbraw/zinc/49/00/12/902490012.db2.gz GNFXICMVKXHDIO-LBPRGKRZSA-N 2 2 264.373 1.333 50 0 CDAALP C[N@@H+]1CCCC[C@@H]1CC(=O)NCCCc1[nH]cc[nH+]1 ZINC000426361900 902490043 /nfs/dbraw/zinc/49/00/43/902490043.db2.gz GNFXICMVKXHDIO-GFCCVEGCSA-N 2 2 264.373 1.333 50 0 CDAALP C[N@H+]1CCCC[C@@H]1CC(=O)NCCCc1[nH]cc[nH+]1 ZINC000426361900 902490048 /nfs/dbraw/zinc/49/00/48/902490048.db2.gz GNFXICMVKXHDIO-GFCCVEGCSA-N 2 2 264.373 1.333 50 0 CDAALP CN(CC[N@H+](C)C1CCCC1)c1cc(NCCO)[nH+]cn1 ZINC001506400855 975150450 /nfs/dbraw/zinc/15/04/50/975150450.db2.gz PJGRFBDXQNBXGJ-UHFFFAOYSA-N 2 2 293.415 1.191 50 0 CDAALP CN(CC[N@@H+](C)C1CCCC1)c1cc(NCCO)[nH+]cn1 ZINC001506400855 975150451 /nfs/dbraw/zinc/15/04/51/975150451.db2.gz PJGRFBDXQNBXGJ-UHFFFAOYSA-N 2 2 293.415 1.191 50 0 CDAALP COc1c(C)c[nH+]c(CN2C[C@@H]3CC[C@H](CC2=O)[NH2+]3)c1C ZINC000095516505 185002053 /nfs/dbraw/zinc/00/20/53/185002053.db2.gz DVFNZGLENOBGQY-OLZOCXBDSA-N 2 2 289.379 1.560 50 0 CDAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000242284664 361754711 /nfs/dbraw/zinc/75/47/11/361754711.db2.gz YIRSEBRNSTWXQW-LBPRGKRZSA-N 2 2 292.362 1.361 50 0 CDAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000242284664 361754714 /nfs/dbraw/zinc/75/47/14/361754714.db2.gz YIRSEBRNSTWXQW-LBPRGKRZSA-N 2 2 292.362 1.361 50 0 CDAALP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000584900147 349362316 /nfs/dbraw/zinc/36/23/16/349362316.db2.gz UFRNXKMYSGNUFS-LLVKDONJSA-N 2 2 281.425 1.609 50 0 CDAALP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000584900147 349362319 /nfs/dbraw/zinc/36/23/19/349362319.db2.gz UFRNXKMYSGNUFS-LLVKDONJSA-N 2 2 281.425 1.609 50 0 CDAALP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000195554614 358557314 /nfs/dbraw/zinc/55/73/14/358557314.db2.gz TUDKPAHNUNSEKB-HNNXBMFYSA-N 2 2 286.379 1.740 50 0 CDAALP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000095354259 358683975 /nfs/dbraw/zinc/68/39/75/358683975.db2.gz WJCQBAQRZFLVBX-HNNXBMFYSA-N 2 2 293.386 1.640 50 0 CDAALP Cc1cc(NC(=O)NCC[NH+]2CCCCC2)cc[nH+]1 ZINC000119662122 358945171 /nfs/dbraw/zinc/94/51/71/358945171.db2.gz CNOORTUECSNZRO-UHFFFAOYSA-N 2 2 262.357 1.997 50 0 CDAALP COCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000089410226 359265302 /nfs/dbraw/zinc/26/53/02/359265302.db2.gz LNQNPMDZJBRGRL-AWEZNQCLSA-N 2 2 256.390 1.067 50 0 CDAALP COCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000089410226 359265305 /nfs/dbraw/zinc/26/53/05/359265305.db2.gz LNQNPMDZJBRGRL-AWEZNQCLSA-N 2 2 256.390 1.067 50 0 CDAALP Cc1nc(N(C)CC[NH+](C)C)cc([C@@H]2CCOC2)[nH+]1 ZINC000426489413 360570585 /nfs/dbraw/zinc/57/05/85/360570585.db2.gz VBABLXWKZZNNRO-GFCCVEGCSA-N 2 2 264.373 1.287 50 0 CDAALP Cc1c[nH]c(CN(C)C(=O)NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC000426370443 360659721 /nfs/dbraw/zinc/65/97/21/360659721.db2.gz KHLTUFZJKSCTEY-UHFFFAOYSA-N 2 2 281.404 1.447 50 0 CDAALP COCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C2)cn1 ZINC000095420407 374923735 /nfs/dbraw/zinc/92/37/35/374923735.db2.gz MEFLVUJUMLGTMG-OCCSQVGLSA-N 2 2 279.384 1.289 50 0 CDAALP COCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C2)cn1 ZINC000095420407 374923739 /nfs/dbraw/zinc/92/37/39/374923739.db2.gz MEFLVUJUMLGTMG-OCCSQVGLSA-N 2 2 279.384 1.289 50 0 CDAALP Cc1[nH+]cn(CC[NH2+][C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000670460748 483046088 /nfs/dbraw/zinc/04/60/88/483046088.db2.gz BHWCNHSSJYTGBZ-NSHDSACASA-N 3 2 261.373 1.683 50 0 CDAALP CCc1ccccc1C[N@@H+]1CCN2CC[NH+](C)C[C@H]2C1 ZINC000244608496 376033300 /nfs/dbraw/zinc/03/33/00/376033300.db2.gz FDTNRLBSAMFAKK-KRWDZBQOSA-N 2 2 273.424 1.681 50 0 CDAALP CCc1ccccc1C[N@H+]1CCN2CC[NH+](C)C[C@H]2C1 ZINC000244608496 376033309 /nfs/dbraw/zinc/03/33/09/376033309.db2.gz FDTNRLBSAMFAKK-KRWDZBQOSA-N 2 2 273.424 1.681 50 0 CDAALP CCc1ccccc1C[NH+]1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000244608496 376033314 /nfs/dbraw/zinc/03/33/14/376033314.db2.gz FDTNRLBSAMFAKK-KRWDZBQOSA-N 2 2 273.424 1.681 50 0 CDAALP CCc1ccccc1C[NH+]1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000244608496 376033322 /nfs/dbraw/zinc/03/33/22/376033322.db2.gz FDTNRLBSAMFAKK-KRWDZBQOSA-N 2 2 273.424 1.681 50 0 CDAALP Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc(C)[nH+]1 ZINC000096429721 390516455 /nfs/dbraw/zinc/51/64/55/390516455.db2.gz ARNQRIJCOPLCFS-CQSZACIVSA-N 2 2 276.384 1.252 50 0 CDAALP CSCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093509566 135080796 /nfs/dbraw/zinc/08/07/96/135080796.db2.gz YTSPNZNSOMCGKY-UHFFFAOYSA-N 2 2 295.456 1.023 50 0 CDAALP CSCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093509566 135080797 /nfs/dbraw/zinc/08/07/97/135080797.db2.gz YTSPNZNSOMCGKY-UHFFFAOYSA-N 2 2 295.456 1.023 50 0 CDAALP C[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000037267004 173077868 /nfs/dbraw/zinc/07/78/68/173077868.db2.gz RCSCNCAWZRPGDF-UHFFFAOYSA-N 2 2 271.364 1.712 50 0 CDAALP OCc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)o1 ZINC000084436748 279248592 /nfs/dbraw/zinc/24/85/92/279248592.db2.gz MMCZJTTYHNCDDX-LLVKDONJSA-N 2 2 261.325 1.636 50 0 CDAALP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@@H+]1C ZINC000095421834 297284194 /nfs/dbraw/zinc/28/41/94/297284194.db2.gz XUILBISTRDRGNR-VXGBXAGGSA-N 2 2 271.405 1.583 50 0 CDAALP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@H+]1C ZINC000095421834 297284195 /nfs/dbraw/zinc/28/41/95/297284195.db2.gz XUILBISTRDRGNR-VXGBXAGGSA-N 2 2 271.405 1.583 50 0 CDAALP Cc1ccc2[nH]c(CCCNC(=O)[C@H]3C=CC[NH2+]3)[nH+]c2c1C ZINC000534663426 328351275 /nfs/dbraw/zinc/35/12/75/328351275.db2.gz MHSYKGDLGIQTDF-CQSZACIVSA-N 2 2 298.390 1.757 50 0 CDAALP CC(C)c1[nH+]ccn1CCCNc1nc(N)cc[nH+]1 ZINC001529191951 969010442 /nfs/dbraw/zinc/01/04/42/969010442.db2.gz KJYFLNNRYRJXJE-UHFFFAOYSA-N 2 2 260.345 1.881 50 0 CDAALP Cc1nc(NCCc2c[nH]c[nH+]2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000240936820 361750343 /nfs/dbraw/zinc/75/03/43/361750343.db2.gz SEHMJRDOGQWIFM-KLPPZKSPSA-N 2 2 273.340 1.401 50 0 CDAALP Cc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc[nH+]1 ZINC000685945048 539046151 /nfs/dbraw/zinc/04/61/51/539046151.db2.gz QKNASVCWSGQZFC-CQSZACIVSA-N 2 2 254.337 1.936 50 0 CDAALP Cc1cc(C(N)=O)c(N2CCC([NH+](C)C)CC2)[nH+]c1C ZINC000670441448 539114218 /nfs/dbraw/zinc/11/42/18/539114218.db2.gz RIKAHOIUWRKLFB-UHFFFAOYSA-N 2 2 276.384 1.328 50 0 CDAALP Cc1[nH+]ccn1[C@@H](C)C[NH+]1CCN(c2ncccn2)CC1 ZINC000019300821 282217357 /nfs/dbraw/zinc/21/73/57/282217357.db2.gz MGFPDTDMOQJPHB-ZDUSSCGKSA-N 2 2 286.383 1.365 50 0 CDAALP c1cn(CCc2c[nH]c[nH+]2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072436718 357835617 /nfs/dbraw/zinc/83/56/17/357835617.db2.gz GVBDGELTQBZSNC-UHFFFAOYSA-N 2 2 297.366 1.206 50 0 CDAALP c1cn(CCc2c[nH+]c[nH]2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072436718 357835620 /nfs/dbraw/zinc/83/56/20/357835620.db2.gz GVBDGELTQBZSNC-UHFFFAOYSA-N 2 2 297.366 1.206 50 0 CDAALP Cc1cccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000097163350 358004302 /nfs/dbraw/zinc/00/43/02/358004302.db2.gz ZCNNQUNJOGHLHP-LSDHHAIUSA-N 2 2 275.396 1.816 50 0 CDAALP Cc1cccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000097163350 358004303 /nfs/dbraw/zinc/00/43/03/358004303.db2.gz ZCNNQUNJOGHLHP-LSDHHAIUSA-N 2 2 275.396 1.816 50 0 CDAALP CCc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1 ZINC000095367037 358686526 /nfs/dbraw/zinc/68/65/26/358686526.db2.gz LWBYEMGVFCMUGQ-UHFFFAOYSA-N 2 2 277.416 1.477 50 0 CDAALP Cc1[nH+]ccn1CC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000097413390 358774371 /nfs/dbraw/zinc/77/43/71/358774371.db2.gz XOCVSAORZYXODT-AWEZNQCLSA-N 2 2 290.411 1.572 50 0 CDAALP Cc1[nH+]ccn1CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000097413390 358774374 /nfs/dbraw/zinc/77/43/74/358774374.db2.gz XOCVSAORZYXODT-AWEZNQCLSA-N 2 2 290.411 1.572 50 0 CDAALP Cc1[nH]c(CN2CCCO[C@@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000215375525 358886535 /nfs/dbraw/zinc/88/65/35/358886535.db2.gz OMCIKQHISSAVRH-INIZCTEOSA-N 2 2 292.427 1.795 50 0 CDAALP Cc1[nH]cc(CN2CCCO[C@@H](C[NH+]3CCCCC3)C2)[nH+]1 ZINC000215375525 358886537 /nfs/dbraw/zinc/88/65/37/358886537.db2.gz OMCIKQHISSAVRH-INIZCTEOSA-N 2 2 292.427 1.795 50 0 CDAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cc(C)no2)C1 ZINC000216377885 358941906 /nfs/dbraw/zinc/94/19/06/358941906.db2.gz ZEVGWOZNENZGJA-CYBMUJFWSA-N 2 2 267.373 1.383 50 0 CDAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cc(C)no2)C1 ZINC000216377885 358941910 /nfs/dbraw/zinc/94/19/10/358941910.db2.gz ZEVGWOZNENZGJA-CYBMUJFWSA-N 2 2 267.373 1.383 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cc(C)no2)C1 ZINC000216377885 358941914 /nfs/dbraw/zinc/94/19/14/358941914.db2.gz ZEVGWOZNENZGJA-CYBMUJFWSA-N 2 2 267.373 1.383 50 0 CDAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cc(C)no2)C1 ZINC000216377885 358941919 /nfs/dbraw/zinc/94/19/19/358941919.db2.gz ZEVGWOZNENZGJA-CYBMUJFWSA-N 2 2 267.373 1.383 50 0 CDAALP CCn1cc[nH+]c1CN1CC[N@H+](C(C)C)C[C@H]1C ZINC000248011337 360308545 /nfs/dbraw/zinc/30/85/45/360308545.db2.gz RKVFECADAPWVEZ-CYBMUJFWSA-N 2 2 250.390 1.818 50 0 CDAALP CCCCc1[nH]c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c[nH+]1 ZINC000426720051 360698925 /nfs/dbraw/zinc/69/89/25/360698925.db2.gz ZNDYKPSLQBIUAZ-HNNXBMFYSA-N 2 2 291.443 1.232 50 0 CDAALP CCCCc1[nH]cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000426720051 360698929 /nfs/dbraw/zinc/69/89/29/360698929.db2.gz ZNDYKPSLQBIUAZ-HNNXBMFYSA-N 2 2 291.443 1.232 50 0 CDAALP COC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000377544272 371573156 /nfs/dbraw/zinc/57/31/56/371573156.db2.gz UIYOOSJMPPMMAD-HNNXBMFYSA-N 2 2 264.369 1.670 50 0 CDAALP COC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000377544272 371573158 /nfs/dbraw/zinc/57/31/58/371573158.db2.gz UIYOOSJMPPMMAD-HNNXBMFYSA-N 2 2 264.369 1.670 50 0 CDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC000244874258 391681499 /nfs/dbraw/zinc/68/14/99/391681499.db2.gz WXNUPSQUGQXIEI-MRXNPFEDSA-N 2 2 284.407 1.600 50 0 CDAALP C[N@H+]1CCN2CC[NH+](Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC000244874258 391681504 /nfs/dbraw/zinc/68/15/04/391681504.db2.gz WXNUPSQUGQXIEI-MRXNPFEDSA-N 2 2 284.407 1.600 50 0 CDAALP C[NH+]1CCN2CC[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC000244874258 391681508 /nfs/dbraw/zinc/68/15/08/391681508.db2.gz WXNUPSQUGQXIEI-MRXNPFEDSA-N 2 2 284.407 1.600 50 0 CDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC000244874258 391681510 /nfs/dbraw/zinc/68/15/10/391681510.db2.gz WXNUPSQUGQXIEI-MRXNPFEDSA-N 2 2 284.407 1.600 50 0 CDAALP O=C(C[NH+]1CCCCCCC1)N1CCCn2c[nH+]cc2C1 ZINC000072157899 176329250 /nfs/dbraw/zinc/32/92/50/176329250.db2.gz PSZPXZPRGGVMBS-UHFFFAOYSA-N 2 2 290.411 1.882 50 0 CDAALP C[C@H](N=c1[nH+]c(N(C)C)[nH]s1)C1CC[NH+](C)CC1 ZINC000534591707 328318408 /nfs/dbraw/zinc/31/84/08/328318408.db2.gz WICDVJIRJAWVMO-VIFPVBQESA-N 2 2 269.418 1.168 50 0 CDAALP C[C@H](C[NH+]1CCCCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000534636204 328333760 /nfs/dbraw/zinc/33/37/60/328333760.db2.gz OMSRGHUTQYTWKS-GFCCVEGCSA-N 2 2 264.373 1.190 50 0 CDAALP Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000585092410 482828975 /nfs/dbraw/zinc/82/89/75/482828975.db2.gz VJRQKINAHPVSQX-WDEREUQCSA-N 2 2 274.372 1.504 50 0 CDAALP [NH3+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000097019537 567902872 /nfs/dbraw/zinc/90/28/72/567902872.db2.gz NSMUZRUWZRUJLL-ZDUSSCGKSA-N 2 2 293.436 1.446 50 0 CDAALP [NH3+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000097019537 567902873 /nfs/dbraw/zinc/90/28/73/567902873.db2.gz NSMUZRUWZRUJLL-ZDUSSCGKSA-N 2 2 293.436 1.446 50 0 CDAALP CC(C)(C)OC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C[NH3+] ZINC000238853198 790819366 /nfs/dbraw/zinc/81/93/66/790819366.db2.gz IPIMDODCXFTYQT-NWDGAFQWSA-N 2 2 269.389 1.419 50 0 CDAALP CC(C)(C)OC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C[NH3+] ZINC000238853198 790819367 /nfs/dbraw/zinc/81/93/67/790819367.db2.gz IPIMDODCXFTYQT-NWDGAFQWSA-N 2 2 269.389 1.419 50 0 CDAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nncn1C(C)C ZINC000821495581 925587761 /nfs/dbraw/zinc/58/77/61/925587761.db2.gz JAQHYDLGFAINQO-NSHDSACASA-N 2 2 262.361 1.542 50 0 CDAALP CC[NH+]1CCC(CNc2ccncc2F)([NH+](C)C)CC1 ZINC000823107385 925672533 /nfs/dbraw/zinc/67/25/33/925672533.db2.gz VQRWRCKPXSLCHR-UHFFFAOYSA-N 2 2 280.391 1.471 50 0 CDAALP c1cnn(CCC[NH+]2CCC(Cn3cc[nH+]c3)CC2)c1 ZINC000829083536 926232970 /nfs/dbraw/zinc/23/29/70/926232970.db2.gz PYMUFLJMPBCTJV-UHFFFAOYSA-N 2 2 273.384 1.882 50 0 CDAALP Cn1ccnc1CC[N@H+](C)CCC[NH+]1CCCCC1 ZINC001506428115 975160563 /nfs/dbraw/zinc/16/05/63/975160563.db2.gz MEUJROVLJBNULR-UHFFFAOYSA-N 2 2 264.417 1.770 50 0 CDAALP Cn1ccnc1CC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001506428115 975160565 /nfs/dbraw/zinc/16/05/65/975160565.db2.gz MEUJROVLJBNULR-UHFFFAOYSA-N 2 2 264.417 1.770 50 0 CDAALP C[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000096446802 230374720 /nfs/dbraw/zinc/37/47/20/230374720.db2.gz HBFKEXVBNRJNAD-LSDHHAIUSA-N 2 2 292.427 1.900 50 0 CDAALP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)Cc1ccco1 ZINC000252502810 362390257 /nfs/dbraw/zinc/39/02/57/362390257.db2.gz UTHVBBAUFHCBIB-CYBMUJFWSA-N 2 2 252.358 1.558 50 0 CDAALP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)Cc1ccco1 ZINC000252502810 362390261 /nfs/dbraw/zinc/39/02/61/362390261.db2.gz UTHVBBAUFHCBIB-CYBMUJFWSA-N 2 2 252.358 1.558 50 0 CDAALP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)Cc1ccco1 ZINC000252502810 362390263 /nfs/dbraw/zinc/39/02/63/362390263.db2.gz UTHVBBAUFHCBIB-CYBMUJFWSA-N 2 2 252.358 1.558 50 0 CDAALP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)Cc1ccco1 ZINC000252502810 362390265 /nfs/dbraw/zinc/39/02/65/362390265.db2.gz UTHVBBAUFHCBIB-CYBMUJFWSA-N 2 2 252.358 1.558 50 0 CDAALP C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091636678 180211533 /nfs/dbraw/zinc/21/15/33/180211533.db2.gz WEUDKCOYLFDWSQ-UHFFFAOYSA-N 2 2 286.383 1.667 50 0 CDAALP CC[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000000393551 355908531 /nfs/dbraw/zinc/90/85/31/355908531.db2.gz LPPPBYXGXSHYQJ-UHFFFAOYSA-N 2 2 261.369 1.116 50 0 CDAALP c1ccc2c(c1)N(CC[NH+]1CCOCC1)C1=[NH+]CCCN21 ZINC000013756126 356356896 /nfs/dbraw/zinc/35/68/96/356356896.db2.gz WWOQSCPYJARAGQ-UHFFFAOYSA-N 2 2 286.379 1.405 50 0 CDAALP Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nc(C)[nH+]1 ZINC000096453735 357476721 /nfs/dbraw/zinc/47/67/21/357476721.db2.gz FOMVWLNITQHYCX-LLVKDONJSA-N 2 2 291.424 1.707 50 0 CDAALP Cc1[nH]c(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000067855452 357632106 /nfs/dbraw/zinc/63/21/06/357632106.db2.gz UEAMPBXEDJDFMV-GFCCVEGCSA-N 2 2 278.400 1.702 50 0 CDAALP Cc1[nH]c(C[N@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000067855452 357632112 /nfs/dbraw/zinc/63/21/12/357632112.db2.gz UEAMPBXEDJDFMV-GFCCVEGCSA-N 2 2 278.400 1.702 50 0 CDAALP CNC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067921524 357637344 /nfs/dbraw/zinc/63/73/44/357637344.db2.gz FKUSNXIHZLETHW-CYBMUJFWSA-N 2 2 286.379 1.829 50 0 CDAALP CNC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067921524 357637347 /nfs/dbraw/zinc/63/73/47/357637347.db2.gz FKUSNXIHZLETHW-CYBMUJFWSA-N 2 2 286.379 1.829 50 0 CDAALP CCn1cnnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067946340 357638749 /nfs/dbraw/zinc/63/87/49/357638749.db2.gz LSSPMWYBFHRRED-INIZCTEOSA-N 2 2 299.422 1.705 50 0 CDAALP CCn1cnnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067946340 357638753 /nfs/dbraw/zinc/63/87/53/357638753.db2.gz LSSPMWYBFHRRED-INIZCTEOSA-N 2 2 299.422 1.705 50 0 CDAALP Cc1n[nH]c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1Cl ZINC000097475661 358779201 /nfs/dbraw/zinc/77/92/01/358779201.db2.gz CEJBIMGTSILBQW-UHFFFAOYSA-N 2 2 286.807 1.260 50 0 CDAALP O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198141 359342066 /nfs/dbraw/zinc/34/20/66/359342066.db2.gz FDMBSGRNRXRPPA-RYUDHWBXSA-N 2 2 261.325 1.131 50 0 CDAALP O=C1OCC[C@@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198141 359342071 /nfs/dbraw/zinc/34/20/71/359342071.db2.gz FDMBSGRNRXRPPA-RYUDHWBXSA-N 2 2 261.325 1.131 50 0 CDAALP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000426563105 360684138 /nfs/dbraw/zinc/68/41/38/360684138.db2.gz JIWCNZPKIQOKJW-MRXNPFEDSA-N 2 2 270.380 1.855 50 0 CDAALP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000426563105 360684142 /nfs/dbraw/zinc/68/41/42/360684142.db2.gz JIWCNZPKIQOKJW-MRXNPFEDSA-N 2 2 270.380 1.855 50 0 CDAALP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000426478141 360674479 /nfs/dbraw/zinc/67/44/79/360674479.db2.gz QYUQTLFBQBPDAO-LBPRGKRZSA-N 2 2 264.373 1.189 50 0 CDAALP CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000426478141 360674483 /nfs/dbraw/zinc/67/44/83/360674483.db2.gz QYUQTLFBQBPDAO-LBPRGKRZSA-N 2 2 264.373 1.189 50 0 CDAALP Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000380184078 361617178 /nfs/dbraw/zinc/61/71/78/361617178.db2.gz SKNQBHDTKWYXQA-UHFFFAOYSA-N 2 2 272.352 1.710 50 0 CDAALP CCOC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000000280142 390135949 /nfs/dbraw/zinc/13/59/49/390135949.db2.gz NJZXHMXKZPLVHU-UHFFFAOYSA-N 2 2 268.401 1.746 50 0 CDAALP c1cnn(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000065452084 391070764 /nfs/dbraw/zinc/07/07/64/391070764.db2.gz XCRZYQAVEJTBGV-AWEZNQCLSA-N 2 2 271.368 1.712 50 0 CDAALP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000178491777 274951258 /nfs/dbraw/zinc/95/12/58/274951258.db2.gz QAXRTICNGDDIHD-GFCCVEGCSA-N 2 2 258.325 1.288 50 0 CDAALP C[C@H](CCC(=O)NCCc1[nH]cc[nH+]1)[NH+]1CCCC1 ZINC000426538719 902594996 /nfs/dbraw/zinc/59/49/96/902594996.db2.gz YZFCIAUJJCVSPW-GFCCVEGCSA-N 2 2 264.373 1.333 50 0 CDAALP CC[NH+](CC)C[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000006831207 361786740 /nfs/dbraw/zinc/78/67/40/361786740.db2.gz MOMXHXYSMHAGKJ-QGZVFWFLSA-N 2 2 291.439 1.511 50 0 CDAALP OC[C@@H](O)C[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091441132 180156747 /nfs/dbraw/zinc/15/67/47/180156747.db2.gz URAHHGMDFVOUTR-HNNXBMFYSA-N 2 2 293.411 1.216 50 0 CDAALP c1cnc(N2CCC([NH2+][C@H]3C[NH+]4CCC3CC4)CC2)nc1 ZINC000036932519 363295243 /nfs/dbraw/zinc/29/52/43/363295243.db2.gz RYALVFDRFOYKIJ-HNNXBMFYSA-N 2 2 287.411 1.129 50 0 CDAALP Cc1[nH]c(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c[nH+]1 ZINC000022914040 356259181 /nfs/dbraw/zinc/25/91/81/356259181.db2.gz CERCYYHDDYYORS-INIZCTEOSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH]c(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c[nH+]1 ZINC000022914040 356259186 /nfs/dbraw/zinc/25/91/86/356259186.db2.gz CERCYYHDDYYORS-INIZCTEOSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH]cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)[nH+]1 ZINC000022914040 356259190 /nfs/dbraw/zinc/25/91/90/356259190.db2.gz CERCYYHDDYYORS-INIZCTEOSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH]cc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)[nH+]1 ZINC000022914040 356259194 /nfs/dbraw/zinc/25/91/94/356259194.db2.gz CERCYYHDDYYORS-INIZCTEOSA-N 2 2 292.427 1.529 50 0 CDAALP C[NH+](C)C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000000410137 363494491 /nfs/dbraw/zinc/49/44/91/363494491.db2.gz CTTXVHBXEKXREE-UHFFFAOYSA-N 2 2 261.369 1.068 50 0 CDAALP Cc1c(C[NH+]2CCC([NH+]3CCSCC3)CC2)cnn1C ZINC000215421982 358888551 /nfs/dbraw/zinc/88/85/51/358888551.db2.gz AZMMNBNIWQMWDQ-UHFFFAOYSA-N 2 2 294.468 1.742 50 0 CDAALP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000261943031 359592164 /nfs/dbraw/zinc/59/21/64/359592164.db2.gz DZSWMFWNFBXRIO-MRXNPFEDSA-N 2 2 274.364 1.643 50 0 CDAALP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000261943031 359592170 /nfs/dbraw/zinc/59/21/70/359592170.db2.gz DZSWMFWNFBXRIO-MRXNPFEDSA-N 2 2 274.364 1.643 50 0 CDAALP c1c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)n[nH]c1C1CC1 ZINC000426490783 360675560 /nfs/dbraw/zinc/67/55/60/360675560.db2.gz YIBDHIDRPGRVSH-UHFFFAOYSA-N 2 2 276.384 1.242 50 0 CDAALP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000282627800 375096519 /nfs/dbraw/zinc/09/65/19/375096519.db2.gz AQBSAJVZXLCSMP-GXTWGEPZSA-N 2 2 287.367 1.765 50 0 CDAALP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000282627800 375096523 /nfs/dbraw/zinc/09/65/23/375096523.db2.gz AQBSAJVZXLCSMP-GXTWGEPZSA-N 2 2 287.367 1.765 50 0 CDAALP Cc1cc(C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)no1 ZINC000020820151 171273818 /nfs/dbraw/zinc/27/38/18/171273818.db2.gz LXFOKBXGURQZEA-CQSZACIVSA-N 2 2 293.411 1.916 50 0 CDAALP Cc1cc(C)n(C[C@@H](C)[NH2+]CC[NH+]2CCC(CO)CC2)n1 ZINC000534656853 328340679 /nfs/dbraw/zinc/34/06/79/328340679.db2.gz IDIHESPLDHINHH-CQSZACIVSA-N 2 2 294.443 1.182 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486108 812803314 /nfs/dbraw/zinc/80/33/14/812803314.db2.gz JHDYFXPWLZWMEL-OAHLLOKOSA-N 3 2 291.443 1.031 50 0 CDAALP C[C@H](Cn1cc[nH+]c1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486108 812803325 /nfs/dbraw/zinc/80/33/25/812803325.db2.gz JHDYFXPWLZWMEL-OAHLLOKOSA-N 3 2 291.443 1.031 50 0 CDAALP Cc1cnc(C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)cn1 ZINC000823690291 925722817 /nfs/dbraw/zinc/72/28/17/925722817.db2.gz UJUANCQCHAFVCK-CYBMUJFWSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cnc(C[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690291 925722789 /nfs/dbraw/zinc/72/27/89/925722789.db2.gz UJUANCQCHAFVCK-CYBMUJFWSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cnc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cn1 ZINC000823690291 925722802 /nfs/dbraw/zinc/72/28/02/925722802.db2.gz UJUANCQCHAFVCK-CYBMUJFWSA-N 2 2 262.401 1.947 50 0 CDAALP Cc1cnc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)cn1 ZINC000823690291 925722827 /nfs/dbraw/zinc/72/28/27/925722827.db2.gz UJUANCQCHAFVCK-CYBMUJFWSA-N 2 2 262.401 1.947 50 0 CDAALP C[NH+](C)C[C@@H]1CCN(c2cc(NC3CC3)nc(N)[nH+]2)C1 ZINC001506419137 975156694 /nfs/dbraw/zinc/15/66/94/975156694.db2.gz YFRISXXBPHRVMX-JTQLQIEISA-N 2 2 276.388 1.021 50 0 CDAALP C[NH+](C)C[C@@H]1CCN(c2cc(NC3CC3)[nH+]c(N)n2)C1 ZINC001506419137 975156693 /nfs/dbraw/zinc/15/66/93/975156693.db2.gz YFRISXXBPHRVMX-JTQLQIEISA-N 2 2 276.388 1.021 50 0 CDAALP Cc1[nH+]c(CN(C)C[C@H]2CCCC[N@@H+]2C)n(C)c1C ZINC000584891859 349351037 /nfs/dbraw/zinc/35/10/37/349351037.db2.gz WKCDJQUETCEADX-CQSZACIVSA-N 2 2 264.417 1.953 50 0 CDAALP Cc1[nH+]c(CN(C)C[C@H]2CCCC[N@H+]2C)n(C)c1C ZINC000584891859 349351040 /nfs/dbraw/zinc/35/10/40/349351040.db2.gz WKCDJQUETCEADX-CQSZACIVSA-N 2 2 264.417 1.953 50 0 CDAALP COCC[C@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000091781082 180253882 /nfs/dbraw/zinc/25/38/82/180253882.db2.gz BQBXAOFLTVGXMX-HUUCEWRRSA-N 2 2 281.400 1.383 50 0 CDAALP COCC[C@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000091781082 180253886 /nfs/dbraw/zinc/25/38/86/180253886.db2.gz BQBXAOFLTVGXMX-HUUCEWRRSA-N 2 2 281.400 1.383 50 0 CDAALP CCC[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000001698825 355948051 /nfs/dbraw/zinc/94/80/51/355948051.db2.gz SXXNRWUIGQVITE-UHFFFAOYSA-N 2 2 275.396 1.506 50 0 CDAALP CCOc1cc2c(cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CCC2 ZINC000082109122 358147159 /nfs/dbraw/zinc/14/71/59/358147159.db2.gz JJHSVPVOPKKBAO-HZPDHXFCSA-N 2 2 290.407 1.468 50 0 CDAALP CCOc1cc2c(cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CCC2 ZINC000082109122 358147161 /nfs/dbraw/zinc/14/71/61/358147161.db2.gz JJHSVPVOPKKBAO-HZPDHXFCSA-N 2 2 290.407 1.468 50 0 CDAALP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000216340885 358938426 /nfs/dbraw/zinc/93/84/26/358938426.db2.gz NRXKZCOEMJLECG-INIZCTEOSA-N 2 2 287.407 1.598 50 0 CDAALP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000216340885 358938433 /nfs/dbraw/zinc/93/84/33/358938433.db2.gz NRXKZCOEMJLECG-INIZCTEOSA-N 2 2 287.407 1.598 50 0 CDAALP Nc1nc(NCCc2nccs2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223897364 359467983 /nfs/dbraw/zinc/46/79/83/359467983.db2.gz CCXIWOHUEPAEBE-UHFFFAOYSA-N 2 2 290.396 1.375 50 0 CDAALP [NH3+][C@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000426563104 360684351 /nfs/dbraw/zinc/68/43/51/360684351.db2.gz JIWCNZPKIQOKJW-INIZCTEOSA-N 2 2 270.380 1.855 50 0 CDAALP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000426563104 360684355 /nfs/dbraw/zinc/68/43/55/360684355.db2.gz JIWCNZPKIQOKJW-INIZCTEOSA-N 2 2 270.380 1.855 50 0 CDAALP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000241644683 391680789 /nfs/dbraw/zinc/68/07/89/391680789.db2.gz PSRNQYBYGGQHTJ-ILXRZTDVSA-N 2 2 293.455 1.896 50 0 CDAALP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000241644683 391680793 /nfs/dbraw/zinc/68/07/93/391680793.db2.gz PSRNQYBYGGQHTJ-ILXRZTDVSA-N 2 2 293.455 1.896 50 0 CDAALP CC(C)[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000091830991 135073830 /nfs/dbraw/zinc/07/38/30/135073830.db2.gz IYEILLIYAXMZEP-KGLIPLIRSA-N 2 2 289.427 1.886 50 0 CDAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC000093177441 147037965 /nfs/dbraw/zinc/03/79/65/147037965.db2.gz FBWTWQMGIDVXAN-UHFFFAOYSA-N 2 2 265.401 1.027 50 0 CDAALP C[NH+]1CCN(C(=O)C[N@H+]2CCC3(CCCC3)C2)CC1 ZINC000093177441 147037969 /nfs/dbraw/zinc/03/79/69/147037969.db2.gz FBWTWQMGIDVXAN-UHFFFAOYSA-N 2 2 265.401 1.027 50 0 CDAALP CN1CC[N@H+](C)[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000225344492 277102208 /nfs/dbraw/zinc/10/22/08/277102208.db2.gz UJAGGMFMHAYPFX-ZDUSSCGKSA-N 2 2 270.380 1.893 50 0 CDAALP CN1CC[N@@H+](C)[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000225344492 277102209 /nfs/dbraw/zinc/10/22/09/277102209.db2.gz UJAGGMFMHAYPFX-ZDUSSCGKSA-N 2 2 270.380 1.893 50 0 CDAALP NC([NH3+])S[C@H](C[NH+]1CCCCC1)C(F)(F)F ZINC000019321129 303353621 /nfs/dbraw/zinc/35/36/21/303353621.db2.gz ZNFKQGOUOBQICP-SSDOTTSWSA-N 2 2 257.325 1.337 50 0 CDAALP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C1=CCCCC1 ZINC000534632082 328331660 /nfs/dbraw/zinc/33/16/60/328331660.db2.gz VWTQITNYZBEEHH-CYBMUJFWSA-N 2 2 279.428 1.675 50 0 CDAALP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C1=CCCCC1 ZINC000534632082 328331662 /nfs/dbraw/zinc/33/16/62/328331662.db2.gz VWTQITNYZBEEHH-CYBMUJFWSA-N 2 2 279.428 1.675 50 0 CDAALP C[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCn1ccnn1 ZINC000534638684 328334814 /nfs/dbraw/zinc/33/48/14/328334814.db2.gz ICYUVQLWTMLUPW-CQSZACIVSA-N 2 2 285.395 1.315 50 0 CDAALP C[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCn1ccnn1 ZINC000534638684 328334815 /nfs/dbraw/zinc/33/48/15/328334815.db2.gz ICYUVQLWTMLUPW-CQSZACIVSA-N 2 2 285.395 1.315 50 0 CDAALP CN(C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])C1CCCCC1 ZINC000534658869 328341572 /nfs/dbraw/zinc/34/15/72/328341572.db2.gz ACFYXGFGHNESCM-YWVIFJGQSA-N 2 2 279.428 1.447 50 0 CDAALP CN(C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])C1CCCCC1 ZINC000534658869 328341574 /nfs/dbraw/zinc/34/15/74/328341574.db2.gz ACFYXGFGHNESCM-YWVIFJGQSA-N 2 2 279.428 1.447 50 0 CDAALP CC1([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)OCCO1 ZINC000097086634 482455804 /nfs/dbraw/zinc/45/58/04/482455804.db2.gz LNWJLJDCPXHLCS-CYBMUJFWSA-N 2 2 265.357 1.358 50 0 CDAALP CC1([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)OCCO1 ZINC000097086634 482455803 /nfs/dbraw/zinc/45/58/03/482455803.db2.gz LNWJLJDCPXHLCS-CYBMUJFWSA-N 2 2 265.357 1.358 50 0 CDAALP CCCCc1[nH]c(C[N@H+](C)C[C@@H]2CC(=O)N(C)C2)c[nH+]1 ZINC000670469388 483063210 /nfs/dbraw/zinc/06/32/10/483063210.db2.gz NMRNSDLIFYJQPP-LBPRGKRZSA-N 2 2 278.400 1.662 50 0 CDAALP CCCCc1[nH]c(C[N@@H+](C)C[C@@H]2CC(=O)N(C)C2)c[nH+]1 ZINC000670469388 483063217 /nfs/dbraw/zinc/06/32/17/483063217.db2.gz NMRNSDLIFYJQPP-LBPRGKRZSA-N 2 2 278.400 1.662 50 0 CDAALP O[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000952992107 819881275 /nfs/dbraw/zinc/88/12/75/819881275.db2.gz WZDKZDZCBZIOIT-NSHDSACASA-N 2 2 272.776 1.869 50 0 CDAALP O[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000952992107 819881276 /nfs/dbraw/zinc/88/12/76/819881276.db2.gz WZDKZDZCBZIOIT-NSHDSACASA-N 2 2 272.776 1.869 50 0 CDAALP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000096477033 230379671 /nfs/dbraw/zinc/37/96/71/230379671.db2.gz PIIXXKWEZBQVFH-QGZVFWFLSA-N 2 2 274.408 1.854 50 0 CDAALP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000096477033 230379672 /nfs/dbraw/zinc/37/96/72/230379672.db2.gz PIIXXKWEZBQVFH-QGZVFWFLSA-N 2 2 274.408 1.854 50 0 CDAALP Cc1noc([C@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)n1 ZINC000084286494 342260459 /nfs/dbraw/zinc/26/04/59/342260459.db2.gz CVUTVKYQGQIARJ-GXSJLCMTSA-N 2 2 261.329 1.803 50 0 CDAALP Cc1[nH+]ccn1[C@H](C)C[NH+]1CCN(c2ncccn2)CC1 ZINC000019300822 282217490 /nfs/dbraw/zinc/21/74/90/282217490.db2.gz MGFPDTDMOQJPHB-CYBMUJFWSA-N 2 2 286.383 1.365 50 0 CDAALP CCCc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2O)cc(C)[nH+]1 ZINC000065417525 357540410 /nfs/dbraw/zinc/54/04/10/357540410.db2.gz HVHLGBKBFKVPHY-STQMWFEESA-N 2 2 278.400 1.603 50 0 CDAALP CCCc1nc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2O)cc(C)[nH+]1 ZINC000065417525 357540413 /nfs/dbraw/zinc/54/04/13/357540413.db2.gz HVHLGBKBFKVPHY-STQMWFEESA-N 2 2 278.400 1.603 50 0 CDAALP CC(C)[C@H](Nc1ncnc2c1CC[NH2+]C2)c1[nH+]ccn1C ZINC000067841658 357631491 /nfs/dbraw/zinc/63/14/91/357631491.db2.gz UDIDDDNTFLXOSG-ZDUSSCGKSA-N 2 2 286.383 1.665 50 0 CDAALP COC(=O)C(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000097081550 357944814 /nfs/dbraw/zinc/94/48/14/357944814.db2.gz NEUHPIXGGWZFIZ-UHFFFAOYSA-N 2 2 291.395 1.839 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)[nH+]c1 ZINC000097203789 358190958 /nfs/dbraw/zinc/19/09/58/358190958.db2.gz BSPCGWRBWJLYSW-ZDUSSCGKSA-N 2 2 297.424 1.168 50 0 CDAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)[nH+]c1 ZINC000097203789 358190961 /nfs/dbraw/zinc/19/09/61/358190961.db2.gz BSPCGWRBWJLYSW-ZDUSSCGKSA-N 2 2 297.424 1.168 50 0 CDAALP CC1(C)Cc2cc(C[N@@H+]3CC[NH2+]C[C@@H](O)C3)ccc2O1 ZINC000097394223 358772854 /nfs/dbraw/zinc/77/28/54/358772854.db2.gz LTPXIQPFXNFCGD-CQSZACIVSA-N 2 2 276.380 1.166 50 0 CDAALP CC1(C)Cc2cc(C[N@H+]3CC[NH2+]C[C@@H](O)C3)ccc2O1 ZINC000097394223 358772858 /nfs/dbraw/zinc/77/28/58/358772858.db2.gz LTPXIQPFXNFCGD-CQSZACIVSA-N 2 2 276.380 1.166 50 0 CDAALP COCCn1c(C)c[nH+]c1CO[C@@H]1CCC[N@H+](C)C1 ZINC000257191943 359589027 /nfs/dbraw/zinc/58/90/27/359589027.db2.gz RWKXWOPYIGOYGJ-CYBMUJFWSA-N 2 2 267.373 1.449 50 0 CDAALP COCCn1c(C)c[nH+]c1CO[C@@H]1CCC[N@@H+](C)C1 ZINC000257191943 359589032 /nfs/dbraw/zinc/58/90/32/359589032.db2.gz RWKXWOPYIGOYGJ-CYBMUJFWSA-N 2 2 267.373 1.449 50 0 CDAALP C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000176703370 189005075 /nfs/dbraw/zinc/00/50/75/189005075.db2.gz ZNGIQUBZGCYFTO-FZMZJTMJSA-N 2 2 281.787 1.892 50 0 CDAALP COCC[NH+]1CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000123032179 360326686 /nfs/dbraw/zinc/32/66/86/360326686.db2.gz SUMNKSISWYSPMU-UHFFFAOYSA-N 2 2 288.395 1.407 50 0 CDAALP C[C@@H](C(=O)N(C)CCCC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000426470855 360550621 /nfs/dbraw/zinc/55/06/21/360550621.db2.gz NTEDCXYGJWHJKT-AWEZNQCLSA-N 2 2 294.399 1.015 50 0 CDAALP Cc1[nH+]c(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)n(C)c1C ZINC000426419986 360668313 /nfs/dbraw/zinc/66/83/13/360668313.db2.gz DDWQMNLRDLMFJN-GFCCVEGCSA-N 2 2 292.427 1.918 50 0 CDAALP COCC[NH+]1CCC(c2[nH+]ccn2[C@@H](C)CO)CC1 ZINC000071497722 176191733 /nfs/dbraw/zinc/19/17/33/176191733.db2.gz IOTKGXPRGVGMLR-LBPRGKRZSA-N 2 2 267.373 1.262 50 0 CDAALP O=C(CCCn1cc[nH+]c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071751457 176260076 /nfs/dbraw/zinc/26/00/76/176260076.db2.gz GGJLLBRNOIKMNA-UHFFFAOYSA-N 2 2 290.411 1.656 50 0 CDAALP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757670 424446890 /nfs/dbraw/zinc/44/68/90/424446890.db2.gz WRSPHRZEUDJINT-SWVJOTTGSA-N 2 2 268.401 1.156 50 0 CDAALP OCc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)o1 ZINC000084436746 279248188 /nfs/dbraw/zinc/24/81/88/279248188.db2.gz MMCZJTTYHNCDDX-NSHDSACASA-N 2 2 261.325 1.636 50 0 CDAALP c1c(C[N@@H+]2CCc3ncccc3C2)nn2c1C[NH2+]CCC2 ZINC000072167048 826161964 /nfs/dbraw/zinc/16/19/64/826161964.db2.gz MTWFNYGFOASYTG-UHFFFAOYSA-N 2 2 283.379 1.330 50 0 CDAALP c1c(C[N@H+]2CCc3ncccc3C2)nn2c1C[NH2+]CCC2 ZINC000072167048 826161966 /nfs/dbraw/zinc/16/19/66/826161966.db2.gz MTWFNYGFOASYTG-UHFFFAOYSA-N 2 2 283.379 1.330 50 0 CDAALP Cc1c[nH+]c(NCCC[N@@H+]2CCC[C@@H](O)C2)nc1N(C)C ZINC000952964593 826360078 /nfs/dbraw/zinc/36/00/78/826360078.db2.gz MQEWJRIIXYHQEM-CYBMUJFWSA-N 2 2 293.415 1.110 50 0 CDAALP Cc1c[nH+]c(NCCC[N@H+]2CCC[C@@H](O)C2)nc1N(C)C ZINC000952964593 826360084 /nfs/dbraw/zinc/36/00/84/826360084.db2.gz MQEWJRIIXYHQEM-CYBMUJFWSA-N 2 2 293.415 1.110 50 0 CDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000247838090 342241722 /nfs/dbraw/zinc/24/17/22/342241722.db2.gz ODBBIHYUFPAAHP-STQMWFEESA-N 2 2 275.352 1.439 50 0 CDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000247838090 342241723 /nfs/dbraw/zinc/24/17/23/342241723.db2.gz ODBBIHYUFPAAHP-STQMWFEESA-N 2 2 275.352 1.439 50 0 CDAALP Cc1c[nH+]ccc1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000585117690 362046674 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Cc1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC000095360271 358684286 /nfs/dbraw/zinc/68/42/86/358684286.db2.gz PVSSIRAMKSKHEQ-OAHLLOKOSA-N 2 2 260.385 1.934 50 0 CDAALP Cc1nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC000095360271 358684288 /nfs/dbraw/zinc/68/42/88/358684288.db2.gz PVSSIRAMKSKHEQ-OAHLLOKOSA-N 2 2 260.385 1.934 50 0 CDAALP C[NH+](C)[C@@H](C(=O)NCCCCC[NH3+])c1ccccc1F ZINC000095360880 358685509 /nfs/dbraw/zinc/68/55/09/358685509.db2.gz SSDWRHDJEYCKED-CQSZACIVSA-N 2 2 281.375 1.674 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)[nH]1 ZINC000095372417 358688547 /nfs/dbraw/zinc/68/85/47/358688547.db2.gz LCKKGZYRIFRGIT-GOEBONIOSA-N 2 2 297.406 1.901 50 0 CDAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)[nH]1 ZINC000095372417 358688549 /nfs/dbraw/zinc/68/85/49/358688549.db2.gz LCKKGZYRIFRGIT-GOEBONIOSA-N 2 2 297.406 1.901 50 0 CDAALP CCn1c[nH+]cc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095388505 358692079 /nfs/dbraw/zinc/69/20/79/358692079.db2.gz ZUKJHAAQTLBBLI-CYBMUJFWSA-N 2 2 278.400 1.784 50 0 CDAALP CCn1c[nH+]cc1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095388505 358692082 /nfs/dbraw/zinc/69/20/82/358692082.db2.gz ZUKJHAAQTLBBLI-CYBMUJFWSA-N 2 2 278.400 1.784 50 0 CDAALP CC(C)n1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097594946 358786814 /nfs/dbraw/zinc/78/68/14/358786814.db2.gz ARGFFVGVQRSCKQ-INIZCTEOSA-N 2 2 291.443 1.286 50 0 CDAALP CC(C)n1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097594946 358786816 /nfs/dbraw/zinc/78/68/16/358786816.db2.gz ARGFFVGVQRSCKQ-INIZCTEOSA-N 2 2 291.443 1.286 50 0 CDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000097775451 358797958 /nfs/dbraw/zinc/79/79/58/358797958.db2.gz GSFXEYFTSOGJQV-CQSZACIVSA-N 2 2 290.411 1.561 50 0 CDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000097775451 358797959 /nfs/dbraw/zinc/79/79/59/358797959.db2.gz GSFXEYFTSOGJQV-CQSZACIVSA-N 2 2 290.411 1.561 50 0 CDAALP COC(=O)CC1([NH2+]Cc2cccnc2)CC[NH+](C)CC1 ZINC000088744349 366495247 /nfs/dbraw/zinc/49/52/47/366495247.db2.gz SCVCODIWPRUNTL-UHFFFAOYSA-N 2 2 277.368 1.199 50 0 CDAALP CCc1nccc(C[N@H+](C)C[C@H]2CC[NH+](CCOC)C2)n1 ZINC000215775202 358903429 /nfs/dbraw/zinc/90/34/29/358903429.db2.gz RVMSPCPBOFJBNQ-CQSZACIVSA-N 2 2 292.427 1.439 50 0 CDAALP CCc1nccc(C[N@@H+](C)C[C@H]2CC[NH+](CCOC)C2)n1 ZINC000215775202 358903431 /nfs/dbraw/zinc/90/34/31/358903431.db2.gz RVMSPCPBOFJBNQ-CQSZACIVSA-N 2 2 292.427 1.439 50 0 CDAALP CCc1nccc(C[NH+](C)C[C@H]2CC[N@H+](CCOC)C2)n1 ZINC000215775202 358903434 /nfs/dbraw/zinc/90/34/34/358903434.db2.gz RVMSPCPBOFJBNQ-CQSZACIVSA-N 2 2 292.427 1.439 50 0 CDAALP CCc1nccc(C[NH+](C)C[C@H]2CC[N@@H+](CCOC)C2)n1 ZINC000215775202 358903437 /nfs/dbraw/zinc/90/34/37/358903437.db2.gz RVMSPCPBOFJBNQ-CQSZACIVSA-N 2 2 292.427 1.439 50 0 CDAALP Cc1[nH]c2ccc(CNC(=O)CC[NH+]3CCCC3)cc2[nH+]1 ZINC000221448500 359248838 /nfs/dbraw/zinc/24/88/38/359248838.db2.gz XKOWAADRXFNHGV-UHFFFAOYSA-N 2 2 286.379 1.973 50 0 CDAALP Cc1[nH]c2cc(CNC(=O)CC[NH+]3CCCC3)ccc2[nH+]1 ZINC000221448500 359248843 /nfs/dbraw/zinc/24/88/43/359248843.db2.gz XKOWAADRXFNHGV-UHFFFAOYSA-N 2 2 286.379 1.973 50 0 CDAALP Cc1nc2c(c(NCCCn3cc[nH+]c3)n1)CC[NH2+]CC2 ZINC000063868315 370908632 /nfs/dbraw/zinc/90/86/32/370908632.db2.gz HQNMWMKXKIGBDA-UHFFFAOYSA-N 2 2 286.383 1.172 50 0 CDAALP CCOC(C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)OCC ZINC000253417102 373725511 /nfs/dbraw/zinc/72/55/11/373725511.db2.gz QBFKFYOKDYAHRC-OLZOCXBDSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)OCC ZINC000253417102 373725517 /nfs/dbraw/zinc/72/55/17/373725517.db2.gz QBFKFYOKDYAHRC-OLZOCXBDSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)OCC ZINC000253417102 373725521 /nfs/dbraw/zinc/72/55/21/373725521.db2.gz QBFKFYOKDYAHRC-OLZOCXBDSA-N 2 2 256.390 1.412 50 0 CDAALP CCOC(C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)OCC ZINC000253417102 373725526 /nfs/dbraw/zinc/72/55/26/373725526.db2.gz QBFKFYOKDYAHRC-OLZOCXBDSA-N 2 2 256.390 1.412 50 0 CDAALP C[NH+](C)[C@H]1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277751950 374809870 /nfs/dbraw/zinc/80/98/70/374809870.db2.gz JXEQVHOQMIRRSI-VIFPVBQESA-N 2 2 269.780 1.633 50 0 CDAALP C[NH+](C)[C@H]1CCCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277751950 374809874 /nfs/dbraw/zinc/80/98/74/374809874.db2.gz JXEQVHOQMIRRSI-VIFPVBQESA-N 2 2 269.780 1.633 50 0 CDAALP C[C@H](C[NH+]1C[C@H](C)O[C@@H](C)C1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000241884821 376019239 /nfs/dbraw/zinc/01/92/39/376019239.db2.gz SYBPFBQJBJGVKB-QMHWVQJVSA-N 2 2 284.444 1.841 50 0 CDAALP C[C@H](C[NH+]1C[C@H](C)O[C@@H](C)C1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000241884821 376019255 /nfs/dbraw/zinc/01/92/55/376019255.db2.gz SYBPFBQJBJGVKB-QMHWVQJVSA-N 2 2 284.444 1.841 50 0 CDAALP Cc1[nH]c(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c[nH+]1 ZINC000039443038 377536212 /nfs/dbraw/zinc/53/62/12/377536212.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH]cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)[nH+]1 ZINC000039443038 377536218 /nfs/dbraw/zinc/53/62/18/377536218.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 2 292.427 1.529 50 0 CDAALP Cc1[nH]cc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)[nH+]1 ZINC000039443038 377536233 /nfs/dbraw/zinc/53/62/33/377536233.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 2 292.427 1.529 50 0 CDAALP CNc1cc[nH+]c(NCCNc2cc(C)cc[nH+]2)n1 ZINC000065382611 390550839 /nfs/dbraw/zinc/55/08/39/390550839.db2.gz RQFCQKNQEYGMJT-UHFFFAOYSA-N 2 2 258.329 1.746 50 0 CDAALP COCC[N@@H+]1CC[C@@H](CN(C)Cc2[nH]cc(C)[nH+]2)C1 ZINC000097785189 390918396 /nfs/dbraw/zinc/91/83/96/390918396.db2.gz GBBVMBLLFKBNST-ZDUSSCGKSA-N 2 2 266.389 1.118 50 0 CDAALP COCC[N@H+]1CC[C@@H](CN(C)Cc2[nH]cc(C)[nH+]2)C1 ZINC000097785189 390918398 /nfs/dbraw/zinc/91/83/98/390918398.db2.gz GBBVMBLLFKBNST-ZDUSSCGKSA-N 2 2 266.389 1.118 50 0 CDAALP O=C(C[NH+]1CCCCCCC1)N1CCn2c[nH+]cc2C1 ZINC000072148474 176325475 /nfs/dbraw/zinc/32/54/75/176325475.db2.gz UJOUWESPIZSZLZ-UHFFFAOYSA-N 2 2 276.384 1.491 50 0 CDAALP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757671 424446244 /nfs/dbraw/zinc/44/62/44/424446244.db2.gz WRSPHRZEUDJINT-VIOGHGGCSA-N 2 2 268.401 1.156 50 0 CDAALP CCCn1cc[nH+]c1CNC(=O)[C@H](C)C[NH+]1CCCC1 ZINC000534660391 328342426 /nfs/dbraw/zinc/34/24/26/328342426.db2.gz PGGAPSXLXCBBHC-CYBMUJFWSA-N 2 2 278.400 1.641 50 0 CDAALP Nc1[nH+]cccc1CNC(=O)C[NH+]1CCCCCCC1 ZINC000534661821 328349441 /nfs/dbraw/zinc/34/94/41/328349441.db2.gz FTYLNQSNLRDHPB-UHFFFAOYSA-N 2 2 276.384 1.546 50 0 CDAALP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)Cn1cc[nH+]c1 ZINC000096446804 534019496 /nfs/dbraw/zinc/01/94/96/534019496.db2.gz HBFKEXVBNRJNAD-GJZGRUSLSA-N 2 2 292.427 1.900 50 0 CDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[NH2+]C)CC1 ZINC000095530870 185004625 /nfs/dbraw/zinc/00/46/25/185004625.db2.gz WZASLVLXLLGERC-UHFFFAOYSA-N 2 2 278.400 1.609 50 0 CDAALP [NH3+]CC[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000263011067 361904616 /nfs/dbraw/zinc/90/46/16/361904616.db2.gz PTKUGAPBOQLJGB-QMMMGPOBSA-N 2 2 262.279 1.567 50 0 CDAALP [NH3+]CC[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000263011067 361904618 /nfs/dbraw/zinc/90/46/18/361904618.db2.gz PTKUGAPBOQLJGB-QMMMGPOBSA-N 2 2 262.279 1.567 50 0 CDAALP CCc1cc(NC[C@@H](C)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000272805127 529555578 /nfs/dbraw/zinc/55/55/78/529555578.db2.gz BHIIYXIIRXFWIM-GFCCVEGCSA-N 2 2 278.400 1.728 50 0 CDAALP Cc1cc(NCCc2[nH+]c3ccccc3n2C)nc(N)[nH+]1 ZINC000092028040 180309435 /nfs/dbraw/zinc/30/94/35/180309435.db2.gz IPIBJTQFENUXOZ-UHFFFAOYSA-N 2 2 282.351 1.909 50 0 CDAALP c1cc(C[NH2+]CCC[NH+]2CCOCC2)cc2c1OCO2 ZINC000002885390 355986422 /nfs/dbraw/zinc/98/64/22/355986422.db2.gz AXRYWNYJKRSQHP-UHFFFAOYSA-N 2 2 278.352 1.227 50 0 CDAALP CCn1cc[nH+]c1CN1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000036385686 356873097 /nfs/dbraw/zinc/87/30/97/356873097.db2.gz QJDSGPARLBCLON-OAHLLOKOSA-N 2 2 294.443 1.428 50 0 CDAALP CCn1cc[nH+]c1CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000036385686 356873102 /nfs/dbraw/zinc/87/31/02/356873102.db2.gz QJDSGPARLBCLON-OAHLLOKOSA-N 2 2 294.443 1.428 50 0 CDAALP CC(C)=CC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067641857 357616288 /nfs/dbraw/zinc/61/62/88/357616288.db2.gz BHWYMVAGOZMKRF-UHFFFAOYSA-N 2 2 279.428 1.581 50 0 CDAALP CC(C)=CC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067641857 357616296 /nfs/dbraw/zinc/61/62/96/357616296.db2.gz BHWYMVAGOZMKRF-UHFFFAOYSA-N 2 2 279.428 1.581 50 0 CDAALP [NH3+]C1(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)CC1 ZINC000082106663 358147002 /nfs/dbraw/zinc/14/70/02/358147002.db2.gz SVCMWNWSXJLIOY-ZDUSSCGKSA-N 2 2 288.395 1.490 50 0 CDAALP c1c[nH+]c(CN2CCCO[C@H](C[NH+]3CCCC3)C2)[nH]1 ZINC000097475655 358778812 /nfs/dbraw/zinc/77/88/12/358778812.db2.gz ZXHBPDRBJFVLGW-CYBMUJFWSA-N 2 2 264.373 1.096 50 0 CDAALP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cscn1 ZINC000215381531 358885723 /nfs/dbraw/zinc/88/57/23/358885723.db2.gz WXKYGKZSHDSACS-UHFFFAOYSA-N 2 2 250.371 1.941 50 0 CDAALP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cscn1 ZINC000215381531 358885726 /nfs/dbraw/zinc/88/57/26/358885726.db2.gz WXKYGKZSHDSACS-UHFFFAOYSA-N 2 2 250.371 1.941 50 0 CDAALP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426490702 360574393 /nfs/dbraw/zinc/57/43/93/360574393.db2.gz YVLNGUJEYNHUJO-CHWSQXEVSA-N 2 2 276.384 1.333 50 0 CDAALP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426490702 360574399 /nfs/dbraw/zinc/57/43/99/360574399.db2.gz YVLNGUJEYNHUJO-CHWSQXEVSA-N 2 2 276.384 1.333 50 0 CDAALP Cc1ccc(NC[C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)[nH+]c1 ZINC000225343594 374242316 /nfs/dbraw/zinc/24/23/16/374242316.db2.gz QPPMUVPGNCNURM-OLZOCXBDSA-N 2 2 275.352 1.439 50 0 CDAALP Cc1ccc(NC[C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)[nH+]c1 ZINC000225343594 374242321 /nfs/dbraw/zinc/24/23/21/374242321.db2.gz QPPMUVPGNCNURM-OLZOCXBDSA-N 2 2 275.352 1.439 50 0 CDAALP Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c[nH+]1 ZINC000237998122 390897422 /nfs/dbraw/zinc/89/74/22/390897422.db2.gz RDCZMMMSVGSZQK-DLOVCJGASA-N 2 2 260.341 1.523 50 0 CDAALP NC([NH3+])S[C@@H](C[NH+]1CCCCC1)C(F)(F)F ZINC000019323451 295200785 /nfs/dbraw/zinc/20/07/85/295200785.db2.gz ZNFKQGOUOBQICP-ZETCQYMHSA-N 2 2 257.325 1.337 50 0 CDAALP Cc1[nH]c2ccc(CC(=O)N3C[C@H]4CC[C@@H](C3)[C@H]4[NH3+])cc2[nH+]1 ZINC000534578244 328310909 /nfs/dbraw/zinc/31/09/09/328310909.db2.gz ARBSDIYCANKBQX-LAQFHYBYSA-N 2 2 298.390 1.610 50 0 CDAALP Cc1[nH]c2cc(CC(=O)N3C[C@H]4CC[C@@H](C3)[C@H]4[NH3+])ccc2[nH+]1 ZINC000534578244 328310910 /nfs/dbraw/zinc/31/09/10/328310910.db2.gz ARBSDIYCANKBQX-LAQFHYBYSA-N 2 2 298.390 1.610 50 0 CDAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000534652971 328338208 /nfs/dbraw/zinc/33/82/08/328338208.db2.gz CLDXLTYUSQAGQW-HNNXBMFYSA-N 2 2 296.374 1.418 50 0 CDAALP OC[C@]12C[NH2+]C[C@@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700514 1159436815 /nfs/dbraw/zinc/43/68/15/1159436815.db2.gz FXQWFGNVTUXTPC-IUODEOHRSA-N 2 2 296.798 1.233 50 0 CDAALP OC[C@]12C[NH2+]C[C@@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC001772700514 1159436817 /nfs/dbraw/zinc/43/68/17/1159436817.db2.gz FXQWFGNVTUXTPC-IUODEOHRSA-N 2 2 296.798 1.233 50 0 CDAALP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000195554339 342625907 /nfs/dbraw/zinc/62/59/07/342625907.db2.gz APQYKKFLZLHAJE-KBPBESRZSA-N 2 2 277.368 1.435 50 0 CDAALP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OC ZINC000057234775 357353341 /nfs/dbraw/zinc/35/33/41/357353341.db2.gz JUTCZTNZSSFDGQ-UHFFFAOYSA-N 2 2 252.358 1.745 50 0 CDAALP CCc1c[nH+]c(C)nc1NC[C@@H](O)C[NH+]1CCCCCC1 ZINC000065493377 357544845 /nfs/dbraw/zinc/54/48/45/357544845.db2.gz NDGFUJFLZKJCPD-OAHLLOKOSA-N 2 2 292.427 1.996 50 0 CDAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000067654569 357616939 /nfs/dbraw/zinc/61/69/39/357616939.db2.gz WPASLITXQFWLTB-LLVKDONJSA-N 2 2 274.368 1.548 50 0 CDAALP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000103341394 373959753 /nfs/dbraw/zinc/95/97/53/373959753.db2.gz QIHFIDZKODIWRJ-UHFFFAOYSA-N 2 2 261.369 1.812 50 0 CDAALP C[NH+](C)[C@@H]1CCC[C@H]2[C@H]1NCC[N@@H+]2Cc1ccccc1 ZINC000261508874 190040436 /nfs/dbraw/zinc/04/04/36/190040436.db2.gz XWESEHYQUMTBRP-IKGGRYGDSA-N 2 2 273.424 1.943 50 0 CDAALP C[NH+](C)[C@@H]1CCC[C@H]2[C@H]1NCC[N@H+]2Cc1ccccc1 ZINC000261508874 190040437 /nfs/dbraw/zinc/04/04/37/190040437.db2.gz XWESEHYQUMTBRP-IKGGRYGDSA-N 2 2 273.424 1.943 50 0 CDAALP c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000096424593 390957346 /nfs/dbraw/zinc/95/73/46/390957346.db2.gz DFVMJSPZJMBIEE-OAHLLOKOSA-N 2 2 275.396 1.278 50 0 CDAALP c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000096424593 390957347 /nfs/dbraw/zinc/95/73/47/390957347.db2.gz DFVMJSPZJMBIEE-OAHLLOKOSA-N 2 2 275.396 1.278 50 0 CDAALP CN(Cc1[nH+]ccn1C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261689178 140375175 /nfs/dbraw/zinc/37/51/75/140375175.db2.gz HMXZQTBFDPHWMX-CYBMUJFWSA-N 2 2 278.400 1.676 50 0 CDAALP C[C@@H](Cn1cncn1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000534642759 328329067 /nfs/dbraw/zinc/32/90/67/328329067.db2.gz FIMBPDPPORDROO-ZDUSSCGKSA-N 2 2 298.394 1.776 50 0 CDAALP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000090648931 483281866 /nfs/dbraw/zinc/28/18/66/483281866.db2.gz PUANHGYPGMECAR-OLZOCXBDSA-N 2 2 265.426 1.707 50 0 CDAALP CCCn1cc[nH+]c1CNc1cc(C2CC([NH3+])C2)ncn1 ZINC000222747683 528867520 /nfs/dbraw/zinc/86/75/20/528867520.db2.gz HLQRPHPZFRGSQH-UHFFFAOYSA-N 2 2 286.383 1.900 50 0 CDAALP CSc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cn1 ZINC000426488117 846557992 /nfs/dbraw/zinc/55/79/92/846557992.db2.gz DUGNUBCASGWTDN-ZSBIGDGJSA-N 2 2 264.398 1.368 50 0 CDAALP CSc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cn1 ZINC000426488117 846557997 /nfs/dbraw/zinc/55/79/97/846557997.db2.gz DUGNUBCASGWTDN-ZSBIGDGJSA-N 2 2 264.398 1.368 50 0 CDAALP OC[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnccc2Cl)C1 ZINC000952868540 910416335 /nfs/dbraw/zinc/41/63/35/910416335.db2.gz BQBJBSDVUAFBNU-ZDUSSCGKSA-N 2 2 297.830 1.919 50 0 CDAALP OC[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnccc2Cl)C1 ZINC000952868540 910416343 /nfs/dbraw/zinc/41/63/43/910416343.db2.gz BQBJBSDVUAFBNU-ZDUSSCGKSA-N 2 2 297.830 1.919 50 0 CDAALP C[C@@H](CC[NH2+]Cc1cccc2c1OCO2)[NH+](C)C ZINC000585117161 930978565 /nfs/dbraw/zinc/97/85/65/930978565.db2.gz SNRSXRITNHKIGZ-NSHDSACASA-N 2 2 250.342 1.845 50 0 CDAALP Nc1nc(NCCc2ccncc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244748605 361861812 /nfs/dbraw/zinc/86/18/12/361861812.db2.gz OKVKCBASFGOZHH-TXEJJXNPSA-N 2 2 284.367 1.313 50 0 CDAALP C[NH+]1CCC2(CC1)CN(c1cc[nH+]cc1F)CCO2 ZINC000641648856 365690313 /nfs/dbraw/zinc/69/03/13/365690313.db2.gz RKVQVTUCMNXBSH-UHFFFAOYSA-N 2 2 265.332 1.522 50 0 CDAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1CCO[C@@H](C)C1 ZINC000249213681 362475834 /nfs/dbraw/zinc/47/58/34/362475834.db2.gz DIEPXTVZOYWYCS-HOCLYGCPSA-N 2 2 292.427 1.377 50 0 CDAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1CCO[C@@H](C)C1 ZINC000249213681 362475839 /nfs/dbraw/zinc/47/58/39/362475839.db2.gz DIEPXTVZOYWYCS-HOCLYGCPSA-N 2 2 292.427 1.377 50 0 CDAALP CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC000000291709 356813941 /nfs/dbraw/zinc/81/39/41/356813941.db2.gz OCOMZDWEJWQZBX-ZDUSSCGKSA-N 2 2 254.374 1.498 50 0 CDAALP CCOC(=O)[C@@H]1CCCC[N@H+]1C1CC[NH+](C)CC1 ZINC000000291709 356813942 /nfs/dbraw/zinc/81/39/42/356813942.db2.gz OCOMZDWEJWQZBX-ZDUSSCGKSA-N 2 2 254.374 1.498 50 0 CDAALP CC1CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)CC1 ZINC000038478083 356962094 /nfs/dbraw/zinc/96/20/94/356962094.db2.gz XHWUYFZOALIEHI-UHFFFAOYSA-N 2 2 261.373 1.123 50 0 CDAALP COc1ccc(C[NH2+]CCC[NH+](C)C)c(OC)c1 ZINC000054979088 357327607 /nfs/dbraw/zinc/32/76/07/357327607.db2.gz QFECSZWXESTQTG-UHFFFAOYSA-N 2 2 252.358 1.745 50 0 CDAALP c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000065503098 357546044 /nfs/dbraw/zinc/54/60/44/357546044.db2.gz KFOCOWLTHNBCSY-CABCVRRESA-N 2 2 283.379 1.594 50 0 CDAALP c1ncn(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000065503098 357546046 /nfs/dbraw/zinc/54/60/46/357546046.db2.gz KFOCOWLTHNBCSY-CABCVRRESA-N 2 2 283.379 1.594 50 0 CDAALP COCc1ncc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000067833865 357630332 /nfs/dbraw/zinc/63/03/32/357630332.db2.gz GTMXWJLJFUZHOA-MRXNPFEDSA-N 2 2 290.411 1.541 50 0 CDAALP COCc1ncc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000067833865 357630337 /nfs/dbraw/zinc/63/03/37/357630337.db2.gz GTMXWJLJFUZHOA-MRXNPFEDSA-N 2 2 290.411 1.541 50 0 CDAALP COCc1ncc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000067833865 357630342 /nfs/dbraw/zinc/63/03/42/357630342.db2.gz GTMXWJLJFUZHOA-MRXNPFEDSA-N 2 2 290.411 1.541 50 0 CDAALP COCc1ncc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000067833865 357630347 /nfs/dbraw/zinc/63/03/47/357630347.db2.gz GTMXWJLJFUZHOA-MRXNPFEDSA-N 2 2 290.411 1.541 50 0 CDAALP Cn1c[nH+]cc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000214969708 358866338 /nfs/dbraw/zinc/86/63/38/358866338.db2.gz SJVZNDNQQWLGFN-UHFFFAOYSA-N 2 2 296.418 1.705 50 0 CDAALP O=C(C[C@H]1CC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000216269547 358934474 /nfs/dbraw/zinc/93/44/74/358934474.db2.gz QXIFOOVJEWRTNK-LLVKDONJSA-N 2 2 262.357 1.115 50 0 CDAALP CCC[C@@H](NC(=O)CC[NH+]1CCCC1)c1[nH+]ccn1C ZINC000218987781 359073776 /nfs/dbraw/zinc/07/37/76/359073776.db2.gz GCGMWJYCOYOTON-CYBMUJFWSA-N 2 2 278.400 1.863 50 0 CDAALP COCC1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222936956 359385119 /nfs/dbraw/zinc/38/51/19/359385119.db2.gz XWBRKRKWKVMLDH-UHFFFAOYSA-N 2 2 277.372 1.102 50 0 CDAALP Cc1[nH+]c(CNC(=O)CC[C@H](C)[NH+]2CCCC2)n(C)c1C ZINC000426419987 360668518 /nfs/dbraw/zinc/66/85/18/360668518.db2.gz DDWQMNLRDLMFJN-LBPRGKRZSA-N 2 2 292.427 1.918 50 0 CDAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000426504676 360935492 /nfs/dbraw/zinc/93/54/92/360935492.db2.gz YEGGCJJVZDLXMN-LLVKDONJSA-N 2 2 265.361 1.035 50 0 CDAALP CC[N@H+]1CC[C@H]2OCCN(c3[nH+]cnc4[nH]ccc43)[C@H]2C1 ZINC000292758645 370380633 /nfs/dbraw/zinc/38/06/33/370380633.db2.gz KCBLTMGJMFQBPS-QWHCGFSZSA-N 2 2 287.367 1.257 50 0 CDAALP c1cc(C[NH+]2CCOCC2)cc(OC2CC[NH2+]CC2)c1 ZINC000299756327 372744961 /nfs/dbraw/zinc/74/49/61/372744961.db2.gz GVYVOGUFXXAIRO-UHFFFAOYSA-N 2 2 276.380 1.650 50 0 CDAALP C[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000037887407 374827458 /nfs/dbraw/zinc/82/74/58/374827458.db2.gz MCGQRHQXJLVOIP-CYBMUJFWSA-N 2 2 270.323 1.682 50 0 CDAALP Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc[nH+]1 ZINC000096484310 390526921 /nfs/dbraw/zinc/52/69/21/390526921.db2.gz MMDWLKXDLLYOKX-OAHLLOKOSA-N 2 2 290.411 1.866 50 0 CDAALP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)[nH+]c1 ZINC000241795550 140262992 /nfs/dbraw/zinc/26/29/92/140262992.db2.gz SABUSLIXTPSIGI-UONOGXRCSA-N 2 2 261.369 1.852 50 0 CDAALP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)[nH+]c1 ZINC000241795550 140262993 /nfs/dbraw/zinc/26/29/93/140262993.db2.gz SABUSLIXTPSIGI-UONOGXRCSA-N 2 2 261.369 1.852 50 0 CDAALP CCOc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1Cl ZINC000020177144 171043052 /nfs/dbraw/zinc/04/30/52/171043052.db2.gz AZYOJBWVEGJPNO-NSHDSACASA-N 2 2 286.803 1.799 50 0 CDAALP CO[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000670453313 483022164 /nfs/dbraw/zinc/02/21/64/483022164.db2.gz UTNYKCKRUBVDOS-CQSZACIVSA-N 2 2 264.369 1.965 50 0 CDAALP CO[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000670453313 483022171 /nfs/dbraw/zinc/02/21/71/483022171.db2.gz UTNYKCKRUBVDOS-CQSZACIVSA-N 2 2 264.369 1.965 50 0 CDAALP COc1cc2c(cc1C[NH2+][C@@H](C)CC[NH+](C)C)OCCO2 ZINC000670468127 483059450 /nfs/dbraw/zinc/05/94/50/483059450.db2.gz CUUNBYKESIZGEX-LBPRGKRZSA-N 2 2 294.395 1.896 50 0 CDAALP CCc1[nH+]ccn1C[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC001506397410 908904023 /nfs/dbraw/zinc/90/40/23/908904023.db2.gz UXQQBRDMODMDGE-CQSZACIVSA-N 2 2 264.417 1.860 50 0 CDAALP c1cn(CCC[NH+]2CCC(Oc3ncccn3)CC2)c[nH+]1 ZINC001506427673 975160896 /nfs/dbraw/zinc/16/08/96/975160896.db2.gz OVHIQWAOMHOMAG-UHFFFAOYSA-N 2 2 287.367 1.607 50 0 CDAALP COc1cccc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000023279975 342088854 /nfs/dbraw/zinc/08/88/54/342088854.db2.gz CWEGPAJENJZUGJ-UHFFFAOYSA-N 2 2 289.423 1.911 50 0 CDAALP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCCNC1=O ZINC000097103377 342192076 /nfs/dbraw/zinc/19/20/76/342192076.db2.gz ZEDXYCYHRUDHMV-CQSZACIVSA-N 2 2 267.417 1.463 50 0 CDAALP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCCNC1=O ZINC000097103377 342192077 /nfs/dbraw/zinc/19/20/77/342192077.db2.gz ZEDXYCYHRUDHMV-CQSZACIVSA-N 2 2 267.417 1.463 50 0 CDAALP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585116905 362044862 /nfs/dbraw/zinc/04/48/62/362044862.db2.gz MCGGYGOXRBGGHZ-LXZKKBNFSA-N 2 2 289.423 1.936 50 0 CDAALP Cc1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000583650855 366006954 /nfs/dbraw/zinc/00/69/54/366006954.db2.gz CQXQDKCJKFQZJC-CYBMUJFWSA-N 2 2 290.411 1.783 50 0 CDAALP Cc1cc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000583650855 366006962 /nfs/dbraw/zinc/00/69/62/366006962.db2.gz CQXQDKCJKFQZJC-CYBMUJFWSA-N 2 2 290.411 1.783 50 0 CDAALP CNc1cc[nH+]c(N2CCC[C@H](Cn3cc[nH+]c3)C2)n1 ZINC000065505905 363294685 /nfs/dbraw/zinc/29/46/85/363294685.db2.gz MLXZHABYIYWUJY-GFCCVEGCSA-N 2 2 272.356 1.631 50 0 CDAALP Cc1ccccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000032819436 356384605 /nfs/dbraw/zinc/38/46/05/356384605.db2.gz FBAAVNKXDDOEIJ-UHFFFAOYSA-N 2 2 275.396 1.201 50 0 CDAALP Cc1ccccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000032819436 356384611 /nfs/dbraw/zinc/38/46/11/356384611.db2.gz FBAAVNKXDDOEIJ-UHFFFAOYSA-N 2 2 275.396 1.201 50 0 CDAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(C(N)=O)c1)CCC2 ZINC000084257782 357121068 /nfs/dbraw/zinc/12/10/68/357121068.db2.gz FNGCBCBRIPVIDB-HNNXBMFYSA-N 2 2 298.390 1.958 50 0 CDAALP C[C@H](C(=O)NCCc1[nH+]ccn1C)[NH+]1CCCCCC1 ZINC000095404151 357197815 /nfs/dbraw/zinc/19/78/15/357197815.db2.gz SLBCHUXDQHZGBN-CYBMUJFWSA-N 2 2 278.400 1.343 50 0 CDAALP CC(C)N1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000096473735 357482821 /nfs/dbraw/zinc/48/28/21/357482821.db2.gz FUQWQPNUCJXDOR-HNNXBMFYSA-N 2 2 288.395 1.213 50 0 CDAALP Cc1cc(N2CCO[C@H](C[NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000065460483 357543596 /nfs/dbraw/zinc/54/35/96/357543596.db2.gz GPXWEWGKQVMWII-CQSZACIVSA-N 2 2 284.363 1.616 50 0 CDAALP COc1ccc2ccccc2c1C[NH2+]CC[NH2+]C[C@H](C)O ZINC000096318715 358732741 /nfs/dbraw/zinc/73/27/41/358732741.db2.gz FIYUUQWXOFFGNT-ZDUSSCGKSA-N 2 2 288.391 1.908 50 0 CDAALP Cc1c[nH]c(CN2CCC([NH+]3CCC(O)CC3)CC2)[nH+]1 ZINC000097619653 358788677 /nfs/dbraw/zinc/78/86/77/358788677.db2.gz PIVNRQKGFUDVCK-UHFFFAOYSA-N 2 2 278.400 1.139 50 0 CDAALP CC(C)c1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000097618861 358788699 /nfs/dbraw/zinc/78/86/99/358788699.db2.gz KVWALNMOGSHDEY-OAHLLOKOSA-N 2 2 289.427 1.080 50 0 CDAALP c1c[nH+]c(CNCC2([NH+]3CCCCC3)CCOCC2)[nH]1 ZINC000111403618 364956478 /nfs/dbraw/zinc/95/64/78/364956478.db2.gz YFHYJZRFUYFBNM-UHFFFAOYSA-N 2 2 278.400 1.534 50 0 CDAALP CC(C)(C)OCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000095410509 374912791 /nfs/dbraw/zinc/91/27/91/374912791.db2.gz BYOHIKKESOOZNK-OAHLLOKOSA-N 2 2 284.444 1.846 50 0 CDAALP CC(C)(C)OCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000095410509 374912798 /nfs/dbraw/zinc/91/27/98/374912798.db2.gz BYOHIKKESOOZNK-OAHLLOKOSA-N 2 2 284.444 1.846 50 0 CDAALP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000096477034 285037618 /nfs/dbraw/zinc/03/76/18/285037618.db2.gz PIIXXKWEZBQVFH-KRWDZBQOSA-N 2 2 274.408 1.854 50 0 CDAALP COCC[N@H+]1CCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000096477034 285037619 /nfs/dbraw/zinc/03/76/19/285037619.db2.gz PIIXXKWEZBQVFH-KRWDZBQOSA-N 2 2 274.408 1.854 50 0 CDAALP Cc1cc(N)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000074934107 390662345 /nfs/dbraw/zinc/66/23/45/390662345.db2.gz VLJFESVWIBKZDL-UHFFFAOYSA-N 2 2 283.379 1.689 50 0 CDAALP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246822354 392019696 /nfs/dbraw/zinc/01/96/96/392019696.db2.gz NUAGYNOMYKZNEN-YDHLFZDLSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246822354 392019703 /nfs/dbraw/zinc/01/97/03/392019703.db2.gz NUAGYNOMYKZNEN-YDHLFZDLSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246822354 392019711 /nfs/dbraw/zinc/01/97/11/392019711.db2.gz NUAGYNOMYKZNEN-YDHLFZDLSA-N 2 2 280.412 1.887 50 0 CDAALP CCOC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246822354 392019718 /nfs/dbraw/zinc/01/97/18/392019718.db2.gz NUAGYNOMYKZNEN-YDHLFZDLSA-N 2 2 280.412 1.887 50 0 CDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3CCCC3)C2)CC1 ZINC000020201141 171065549 /nfs/dbraw/zinc/06/55/49/171065549.db2.gz FZZYTNFZHFRZGR-OAHLLOKOSA-N 2 2 293.455 1.851 50 0 CDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3CCCC3)C2)CC1 ZINC000020201141 171065551 /nfs/dbraw/zinc/06/55/51/171065551.db2.gz FZZYTNFZHFRZGR-OAHLLOKOSA-N 2 2 293.455 1.851 50 0 CDAALP C[N@@H+](Cc1ccsc1)C[C@@H]1C[NH+](C)CC[C@H]1O ZINC000020540145 171241568 /nfs/dbraw/zinc/24/15/68/171241568.db2.gz POQYGPCOMYOBTA-QWHCGFSZSA-N 2 2 254.399 1.493 50 0 CDAALP C[N@H+](Cc1ccsc1)C[C@@H]1C[NH+](C)CC[C@H]1O ZINC000020540145 171241569 /nfs/dbraw/zinc/24/15/69/171241569.db2.gz POQYGPCOMYOBTA-QWHCGFSZSA-N 2 2 254.399 1.493 50 0 CDAALP C[NH+](Cc1ccsc1)C[C@@H]1C[N@H+](C)CC[C@H]1O ZINC000020540145 171241571 /nfs/dbraw/zinc/24/15/71/171241571.db2.gz POQYGPCOMYOBTA-QWHCGFSZSA-N 2 2 254.399 1.493 50 0 CDAALP C[NH+](Cc1ccsc1)C[C@@H]1C[N@@H+](C)CC[C@H]1O ZINC000020540145 171241572 /nfs/dbraw/zinc/24/15/72/171241572.db2.gz POQYGPCOMYOBTA-QWHCGFSZSA-N 2 2 254.399 1.493 50 0 CDAALP C[NH2+]Cc1nnc(NC[C@H]2Cc3ccccc3C[N@@H+]2C)o1 ZINC001772707000 1159441092 /nfs/dbraw/zinc/44/10/92/1159441092.db2.gz VUVPWIBSNIENNK-CYBMUJFWSA-N 2 2 287.367 1.258 50 0 CDAALP C[NH2+]Cc1nnc(NC[C@H]2Cc3ccccc3C[N@H+]2C)o1 ZINC001772707000 1159441094 /nfs/dbraw/zinc/44/10/94/1159441094.db2.gz VUVPWIBSNIENNK-CYBMUJFWSA-N 2 2 287.367 1.258 50 0 CDAALP CCCn1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1C ZINC000092080955 180319656 /nfs/dbraw/zinc/31/96/56/180319656.db2.gz NFEHTBSMNLWHGQ-HZPDHXFCSA-N 2 2 294.443 1.203 50 0 CDAALP CCCn1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1C ZINC000092080955 180319659 /nfs/dbraw/zinc/31/96/59/180319659.db2.gz NFEHTBSMNLWHGQ-HZPDHXFCSA-N 2 2 294.443 1.203 50 0 CDAALP Cc1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000067855454 357632931 /nfs/dbraw/zinc/63/29/31/357632931.db2.gz UEAMPBXEDJDFMV-LBPRGKRZSA-N 2 2 278.400 1.702 50 0 CDAALP Cc1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000067855454 357632935 /nfs/dbraw/zinc/63/29/35/357632935.db2.gz UEAMPBXEDJDFMV-LBPRGKRZSA-N 2 2 278.400 1.702 50 0 CDAALP CCC(=O)NCCNc1cc(-n2c[nH+]c(C)c2C)nc[nH+]1 ZINC000072437109 357836302 /nfs/dbraw/zinc/83/63/02/357836302.db2.gz QBGPUPWNNKWWFL-UHFFFAOYSA-N 2 2 288.355 1.217 50 0 CDAALP Cc1[nH+]ccn1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000244900246 358725116 /nfs/dbraw/zinc/72/51/16/358725116.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000244900246 358725120 /nfs/dbraw/zinc/72/51/20/358725120.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000244900246 358725126 /nfs/dbraw/zinc/72/51/26/358725126.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 3 2 264.417 1.998 50 0 CDAALP Cc1[nH+]ccn1CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000244900246 358725130 /nfs/dbraw/zinc/72/51/30/358725130.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 3 2 264.417 1.998 50 0 CDAALP O=C(NCC[NH+]1CCCC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097600927 358786488 /nfs/dbraw/zinc/78/64/88/358786488.db2.gz PXHYEJJDQHCKBC-UHFFFAOYSA-N 2 2 284.363 1.902 50 0 CDAALP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000248159824 360417449 /nfs/dbraw/zinc/41/74/49/360417449.db2.gz RXWJXZNFHZUSMX-CABCVRRESA-N 2 2 277.412 1.334 50 0 CDAALP Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000361160379 368670324 /nfs/dbraw/zinc/67/03/24/368670324.db2.gz XIBKTGPMJVIKSS-UHFFFAOYSA-N 2 2 268.364 1.677 50 0 CDAALP Cc1nc(NCC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000361160379 368670327 /nfs/dbraw/zinc/67/03/27/368670327.db2.gz XIBKTGPMJVIKSS-UHFFFAOYSA-N 2 2 268.364 1.677 50 0 CDAALP Cc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)nc1 ZINC000095416685 374918645 /nfs/dbraw/zinc/91/86/45/374918645.db2.gz CHYXMWMPJPPXPG-AWEZNQCLSA-N 2 2 263.385 1.590 50 0 CDAALP Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)nc(C)[nH+]1 ZINC000096444368 375100757 /nfs/dbraw/zinc/10/07/57/375100757.db2.gz BVUBDXVMFPDATD-UHFFFAOYSA-N 2 2 272.356 1.154 50 0 CDAALP O=C1CC[C@@H]([NH2+]CCc2[nH]cc[nH+]2)CN1Cc1ccccc1 ZINC000534649325 328343830 /nfs/dbraw/zinc/34/38/30/328343830.db2.gz JMDVFMVWHLRJLS-OAHLLOKOSA-N 2 2 298.390 1.733 50 0 CDAALP Cc1cc(CN(C)c2cc([C@H]3C[C@H]([NH3+])C3)[nH+]c(N)n2)no1 ZINC000243932087 361830409 /nfs/dbraw/zinc/83/04/09/361830409.db2.gz BSLFEKNNPZPFRV-MGCOHNPYSA-N 2 2 288.355 1.196 50 0 CDAALP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccoc1C ZINC000585118097 362047756 /nfs/dbraw/zinc/04/77/56/362047756.db2.gz BHGUEYINFMNQOJ-AWEZNQCLSA-N 2 2 254.374 1.770 50 0 CDAALP CC[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289288900 136399387 /nfs/dbraw/zinc/39/93/87/136399387.db2.gz GZDGKVLWIOBIPU-OAHLLOKOSA-N 2 2 298.390 1.621 50 0 CDAALP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417072 283076329 /nfs/dbraw/zinc/07/63/29/283076329.db2.gz LENXEFFBRGIKCU-HZSPNIEDSA-N 2 2 270.417 1.188 50 0 CDAALP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417072 283076330 /nfs/dbraw/zinc/07/63/30/283076330.db2.gz LENXEFFBRGIKCU-HZSPNIEDSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417072 283076333 /nfs/dbraw/zinc/07/63/33/283076333.db2.gz LENXEFFBRGIKCU-HZSPNIEDSA-N 2 2 270.417 1.188 50 0 CDAALP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000253417072 283076335 /nfs/dbraw/zinc/07/63/35/283076335.db2.gz LENXEFFBRGIKCU-HZSPNIEDSA-N 2 2 270.417 1.188 50 0 CDAALP C[C@@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000072172990 356639554 /nfs/dbraw/zinc/63/95/54/356639554.db2.gz WRVXAEMEHRWOKH-KGLIPLIRSA-N 2 2 290.411 1.736 50 0 CDAALP C[C@@H](C(=O)N1CCCn2c[nH+]cc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000072172990 356639557 /nfs/dbraw/zinc/63/95/57/356639557.db2.gz WRVXAEMEHRWOKH-KGLIPLIRSA-N 2 2 290.411 1.736 50 0 CDAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000095367376 358686462 /nfs/dbraw/zinc/68/64/62/358686462.db2.gz ZDXMBOLFNNDOIQ-AWEZNQCLSA-N 2 2 292.427 1.951 50 0 CDAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000095367376 358686464 /nfs/dbraw/zinc/68/64/64/358686464.db2.gz ZDXMBOLFNNDOIQ-AWEZNQCLSA-N 2 2 292.427 1.951 50 0 CDAALP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097578584 358785739 /nfs/dbraw/zinc/78/57/39/358785739.db2.gz IKRLXZAUYHSFCR-KGLIPLIRSA-N 2 2 284.367 1.193 50 0 CDAALP c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097578584 358785741 /nfs/dbraw/zinc/78/57/41/358785741.db2.gz IKRLXZAUYHSFCR-KGLIPLIRSA-N 2 2 284.367 1.193 50 0 CDAALP c1cncc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000097766852 358798015 /nfs/dbraw/zinc/79/80/15/358798015.db2.gz ATFCXTIPWYGGOR-INIZCTEOSA-N 2 2 275.396 1.768 50 0 CDAALP C[NH+](C)C[C@]1(CO)CCC[N@H+](Cc2ccoc2)C1 ZINC000216320495 358937304 /nfs/dbraw/zinc/93/73/04/358937304.db2.gz HMQWMHANIDVGEF-CQSZACIVSA-N 2 2 252.358 1.416 50 0 CDAALP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000011819173 360333461 /nfs/dbraw/zinc/33/34/61/360333461.db2.gz FABUJICTSTXQHT-CQSZACIVSA-N 2 2 299.378 1.368 50 0 CDAALP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000011819173 360333465 /nfs/dbraw/zinc/33/34/65/360333465.db2.gz FABUJICTSTXQHT-CQSZACIVSA-N 2 2 299.378 1.368 50 0 CDAALP CCn1c[nH+]cc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000426618090 360690286 /nfs/dbraw/zinc/69/02/86/360690286.db2.gz HPXLIPOBQNTJJT-UHFFFAOYSA-N 2 2 286.379 1.895 50 0 CDAALP C1=CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000245745820 360748158 /nfs/dbraw/zinc/74/81/58/360748158.db2.gz MSTSDPOUJXITSU-CVEARBPZSA-N 2 2 264.413 1.997 50 0 CDAALP C1=CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000245745820 360748160 /nfs/dbraw/zinc/74/81/60/360748160.db2.gz MSTSDPOUJXITSU-CVEARBPZSA-N 2 2 264.413 1.997 50 0 CDAALP O=C(NCCNc1cccc[nH+]1)c1ccn2c[nH+]cc2c1 ZINC000095448965 374947778 /nfs/dbraw/zinc/94/77/78/374947778.db2.gz VCWIULMNNDLINF-UHFFFAOYSA-N 2 2 281.319 1.571 50 0 CDAALP C[N@H+](C[C@@H](O)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000003418308 375688916 /nfs/dbraw/zinc/68/89/16/375688916.db2.gz LBWUCHVKOIBUER-OAHLLOKOSA-N 2 2 278.396 1.452 50 0 CDAALP C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000003418308 375688922 /nfs/dbraw/zinc/68/89/22/375688922.db2.gz LBWUCHVKOIBUER-OAHLLOKOSA-N 2 2 278.396 1.452 50 0 CDAALP Nc1nc(N2CC[C@@H]([NH3+])C2)c2c([nH+]1)-c1ccccc1CCC2 ZINC000040977166 390424665 /nfs/dbraw/zinc/42/46/65/390424665.db2.gz SDTRYHWIXVHTLM-GFCCVEGCSA-N 2 2 295.390 1.752 50 0 in-vivo CDAALP CC(C)[N@@H+]1CCCC[C@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000408525187 390853370 /nfs/dbraw/zinc/85/33/70/390853370.db2.gz OVZMTXVELRYXCA-AWEZNQCLSA-N 2 2 298.431 1.080 50 0 CDAALP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)CN1CCOCC1 ZINC000408525187 390853372 /nfs/dbraw/zinc/85/33/72/390853372.db2.gz OVZMTXVELRYXCA-AWEZNQCLSA-N 2 2 298.431 1.080 50 0 CDAALP CCn1nccc1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000253420289 392718443 /nfs/dbraw/zinc/71/84/43/392718443.db2.gz HEEXWLJIQCGHSN-HNNXBMFYSA-N 2 2 292.427 1.100 50 0 CDAALP CCn1nccc1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000253420289 392718446 /nfs/dbraw/zinc/71/84/46/392718446.db2.gz HEEXWLJIQCGHSN-HNNXBMFYSA-N 2 2 292.427 1.100 50 0 CDAALP c1cc2c(cc1C[NH2+]CCC[NH+]1CCOCC1)OCCO2 ZINC000006746451 170239284 /nfs/dbraw/zinc/23/92/84/170239284.db2.gz AOOWVNWNSSDGJQ-UHFFFAOYSA-N 2 2 292.379 1.270 50 0 CDAALP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000067757390 278869908 /nfs/dbraw/zinc/86/99/08/278869908.db2.gz BAVPTOFGTQLWEJ-GFCCVEGCSA-N 2 2 265.405 1.586 50 0 CDAALP CC(C)[C@H](NC(=O)NCC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000670442971 482989355 /nfs/dbraw/zinc/98/93/55/482989355.db2.gz HMTDTUAEQWRFQS-ZDUSSCGKSA-N 2 2 293.415 1.416 50 0 CDAALP C[C@H](C(=O)N1CCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000083888646 483217861 /nfs/dbraw/zinc/21/78/61/483217861.db2.gz PVMAIUVXOSIZLQ-HUUCEWRRSA-N 2 2 279.428 1.415 50 0 CDAALP C[C@H](C(=O)N1CCCC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000083888646 483217867 /nfs/dbraw/zinc/21/78/67/483217867.db2.gz PVMAIUVXOSIZLQ-HUUCEWRRSA-N 2 2 279.428 1.415 50 0 CDAALP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000097159089 538438077 /nfs/dbraw/zinc/43/80/77/538438077.db2.gz UGGLFLBEMRGUAH-UHFFFAOYSA-N 2 2 268.324 1.291 50 0 CDAALP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCCCCC1)c1ccco1 ZINC000952973335 615989851 /nfs/dbraw/zinc/98/98/51/615989851.db2.gz SCRXHEVLYNQZPG-CQSZACIVSA-N 2 2 293.411 1.875 50 0 CDAALP COc1cc(N2CC[NH+](CC3CCCC3)CC2)nc(N)[nH+]1 ZINC001506400557 975149156 /nfs/dbraw/zinc/14/91/56/975149156.db2.gz DZPGLWPXXGJGDD-UHFFFAOYSA-N 2 2 291.399 1.380 50 0 CDAALP Cn1cc[nH+]c1CC[NH+]1CCC(Oc2ncccn2)CC1 ZINC001506410371 975153176 /nfs/dbraw/zinc/15/31/76/975153176.db2.gz SVBGTZIMZPEDEI-UHFFFAOYSA-N 2 2 287.367 1.296 50 0 CDAALP Cc1cc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)no1 ZINC000244893104 361869285 /nfs/dbraw/zinc/86/92/85/361869285.db2.gz YVUKJVWYDYEYCU-DTORHVGOSA-N 2 2 274.328 1.172 50 0 CDAALP Cc1ccc(Cn2cc(O[C@@H]3COC[C@@H]3[NH3+])cn2)c(C)[nH+]1 ZINC000685941793 539045968 /nfs/dbraw/zinc/04/59/68/539045968.db2.gz BWADYWQGQCXDOP-LSDHHAIUSA-N 2 2 288.351 1.048 50 0 CDAALP C[NH2+]CCN(C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000252481590 362385590 /nfs/dbraw/zinc/38/55/90/362385590.db2.gz COSSQUGZKOEAEZ-UHFFFAOYSA-N 2 2 258.369 1.583 50 0 CDAALP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC000000216558 355897372 /nfs/dbraw/zinc/89/73/72/355897372.db2.gz XYUUKVRNWVQZFN-UHFFFAOYSA-N 2 2 292.379 1.950 50 0 CDAALP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC000000216558 355897374 /nfs/dbraw/zinc/89/73/74/355897374.db2.gz XYUUKVRNWVQZFN-UHFFFAOYSA-N 2 2 292.379 1.950 50 0 CDAALP COc1cc(N2CCC(Cn3cc[nH+]c3)CC2)nc(N)[nH+]1 ZINC000032597876 356307624 /nfs/dbraw/zinc/30/76/24/356307624.db2.gz HJQJZYRJQXWOMJ-UHFFFAOYSA-N 2 2 288.355 1.181 50 0 CDAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O)CC1 ZINC000023338632 356640828 /nfs/dbraw/zinc/64/08/28/356640828.db2.gz XYQJPIQAEGZLDF-HUUCEWRRSA-N 2 2 296.436 1.140 50 0 CDAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O)CC1 ZINC000023338632 356640832 /nfs/dbraw/zinc/64/08/32/356640832.db2.gz XYQJPIQAEGZLDF-HUUCEWRRSA-N 2 2 296.436 1.140 50 0 CDAALP C[NH+](C)CC(=O)Nc1c2c([nH+]c3c1CCC3)CCC2 ZINC000000198573 359289787 /nfs/dbraw/zinc/28/97/87/359289787.db2.gz JLXUJPITRIVBOQ-UHFFFAOYSA-N 2 2 259.353 1.559 50 0 CDAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000223225797 359408856 /nfs/dbraw/zinc/40/88/56/359408856.db2.gz IPMSVLYTZYSEGQ-ZDUSSCGKSA-N 2 2 283.335 1.739 50 0 CDAALP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000000207008 364093408 /nfs/dbraw/zinc/09/34/08/364093408.db2.gz BNHCWWOOMVLOPK-UHFFFAOYSA-N 2 2 294.395 1.935 50 0 CDAALP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000000207008 364093411 /nfs/dbraw/zinc/09/34/11/364093411.db2.gz BNHCWWOOMVLOPK-UHFFFAOYSA-N 2 2 294.395 1.935 50 0 CDAALP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@@H+]1C ZINC000095421835 374923998 /nfs/dbraw/zinc/92/39/98/374923998.db2.gz XUILBISTRDRGNR-NWDGAFQWSA-N 2 2 271.405 1.583 50 0 CDAALP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[N@H+]1C ZINC000095421835 374924002 /nfs/dbraw/zinc/92/40/02/374924002.db2.gz XUILBISTRDRGNR-NWDGAFQWSA-N 2 2 271.405 1.583 50 0 CDAALP CCc1nc(N2CCOC3(CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000645385602 377241109 /nfs/dbraw/zinc/24/11/09/377241109.db2.gz LNMLHGIQMSKUHT-UHFFFAOYSA-N 2 2 290.411 1.648 50 0 CDAALP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072411004 176398435 /nfs/dbraw/zinc/39/84/35/176398435.db2.gz VHGRYRTYHFKAQF-NWDGAFQWSA-N 2 2 270.336 1.938 50 0 CDAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077406923 177264206 /nfs/dbraw/zinc/26/42/06/177264206.db2.gz KAQALTULCLBMDY-LBPRGKRZSA-N 2 2 287.367 1.575 50 0 CDAALP CCC[C@@H](CNc1cc(OC)[nH+]c(N)n1)[NH+](C)C ZINC000534587719 328316373 /nfs/dbraw/zinc/31/63/73/328316373.db2.gz BWIYYCDAQYHGSN-VIFPVBQESA-N 2 2 253.350 1.040 50 0 CDAALP c1cn(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000678884029 483210596 /nfs/dbraw/zinc/21/05/96/483210596.db2.gz DKEONWVUWXPZTA-UHFFFAOYSA-N 3 2 271.368 1.490 50 0 CDAALP CCn1c[nH+]cc1C[NH2+][C@@H](CC(C)C)C(=O)NC ZINC000090172092 483210937 /nfs/dbraw/zinc/21/09/37/483210937.db2.gz WAOWIJNVEKTASE-LBPRGKRZSA-N 2 2 252.362 1.153 50 0 CDAALP